USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 797 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 34 HIS :FLIP no HD1:sc= -4.54! C(o=-6.4!,f=-4.5!) USER MOD Set 1.2: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -164:sc=-0.000933 (180deg=-0.148) USER MOD Single : A 1 MET N :NH3+ -151:sc= 0.0378 (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 17 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.048) USER MOD Single : A 19 ASN : amide:sc= -0.0311 X(o=-0.031,f=-0.15) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.951 F(o=-2.7!,f=-0.95) USER MOD Single : A 32 THR OG1 : rot 88:sc= 0.114 USER MOD Single : A 35 ASN : amide:sc= -6.33! C(o=-6.3!,f=-7.3!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00413) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -1.22 USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.213) USER MOD Single : A 49 SER OG : rot 29:sc= 0.158 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.26! X(o=-1.3!,f=-1.7) USER MOD Single : A 53 GLN : amide:sc= 0.419 K(o=0.42,f=-6.9!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= -0.756 USER MOD Single : A 61 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -129:sc= 0.712 (180deg=-0.338) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= -0.478 (180deg=-1.26) USER MOD Single : A 82 LYS NZ :NH3+ -135:sc= -0.0495 (180deg=-0.577) USER MOD Single : A 85 MET CE :methyl -171:sc= 0 (180deg=-0.11) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.2) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.492 X(o=-0.49,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.104 -10.307 20.241 1.00 0.00 N ATOM 2 CA MET A 1 3.118 -11.309 20.592 1.00 0.00 C ATOM 3 C MET A 1 3.114 -12.420 19.550 1.00 0.00 C ATOM 4 O MET A 1 3.942 -12.427 18.644 1.00 0.00 O ATOM 5 CB MET A 1 1.742 -10.655 20.687 1.00 0.00 C ATOM 6 CG MET A 1 1.143 -10.930 22.064 1.00 0.00 C ATOM 7 SD MET A 1 -0.370 -11.922 22.022 1.00 0.00 S ATOM 8 CE MET A 1 -1.458 -10.755 21.168 1.00 0.00 C ATOM 0 H1 MET A 1 4.460 -9.852 21.106 1.00 0.00 H new ATOM 0 H2 MET A 1 4.894 -10.759 19.737 1.00 0.00 H new ATOM 0 H3 MET A 1 3.667 -9.590 19.628 1.00 0.00 H new ATOM 0 HA MET A 1 3.368 -11.746 21.559 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.826 -9.581 20.523 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.087 -11.046 19.909 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.885 -11.443 22.676 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.929 -9.979 22.552 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.495 -11.063 21.298 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.321 -9.757 21.585 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.214 -10.741 20.106 1.00 0.00 H new ATOM 20 N SER A 2 2.175 -13.359 19.685 1.00 0.00 N ATOM 21 CA SER A 2 2.067 -14.468 18.757 1.00 0.00 C ATOM 22 C SER A 2 1.217 -14.060 17.562 1.00 0.00 C ATOM 23 O SER A 2 1.728 -13.909 16.455 1.00 0.00 O ATOM 24 CB SER A 2 1.456 -15.670 19.471 1.00 0.00 C ATOM 25 OG SER A 2 2.386 -16.729 19.487 1.00 0.00 O ATOM 0 H SER A 2 1.481 -13.366 20.432 1.00 0.00 H new ATOM 0 HA SER A 2 3.058 -14.743 18.395 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.179 -15.399 20.490 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.542 -15.982 18.965 1.00 0.00 H new ATOM 0 HG SER A 2 1.995 -17.501 19.947 1.00 0.00 H new ATOM 31 N SER A 3 -0.086 -13.880 17.790 1.00 0.00 N ATOM 32 CA SER A 3 -0.998 -13.490 16.734 1.00 0.00 C ATOM 33 C SER A 3 -2.400 -13.312 17.302 1.00 0.00 C ATOM 34 O SER A 3 -2.593 -13.364 18.514 1.00 0.00 O ATOM 35 CB SER A 3 -0.989 -14.549 15.637 1.00 0.00 C ATOM 36 OG SER A 3 -1.416 -15.782 16.171 1.00 0.00 O ATOM 0 H SER A 3 -0.526 -14.001 18.702 1.00 0.00 H new ATOM 0 HA SER A 3 -0.678 -12.540 16.305 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.645 -14.248 14.820 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.013 -14.648 15.221 1.00 0.00 H new ATOM 0 HG SER A 3 -1.412 -16.463 15.466 1.00 0.00 H new ATOM 42 N ASP A 4 -3.380 -13.106 16.419 1.00 0.00 N ATOM 43 CA ASP A 4 -4.756 -12.923 16.835 1.00 0.00 C ATOM 44 C ASP A 4 -5.654 -13.897 16.084 1.00 0.00 C ATOM 45 O ASP A 4 -5.168 -14.744 15.338 1.00 0.00 O ATOM 46 CB ASP A 4 -5.180 -11.481 16.569 1.00 0.00 C ATOM 47 CG ASP A 4 -6.091 -10.970 17.676 1.00 0.00 C ATOM 48 OD1 ASP A 4 -5.545 -10.623 18.746 1.00 0.00 O ATOM 49 OD2 ASP A 4 -7.316 -10.936 17.431 1.00 0.00 O ATOM 0 H ASP A 4 -3.237 -13.063 15.410 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.848 -13.123 17.903 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.297 -10.846 16.497 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.696 -11.420 15.611 1.00 0.00 H new ATOM 54 N GLY A 5 -6.968 -13.774 16.281 1.00 0.00 N ATOM 55 CA GLY A 5 -7.922 -14.643 15.621 1.00 0.00 C ATOM 56 C GLY A 5 -8.931 -13.819 14.835 1.00 0.00 C ATOM 57 O GLY A 5 -8.810 -12.599 14.745 1.00 0.00 O ATOM 0 H GLY A 5 -7.389 -13.077 16.895 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -7.399 -15.326 14.951 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.439 -15.255 16.360 1.00 0.00 H new ATOM 61 N GLY A 6 -9.934 -14.490 14.264 1.00 0.00 N ATOM 62 CA GLY A 6 -10.957 -13.817 13.490 1.00 0.00 C ATOM 63 C GLY A 6 -11.737 -14.825 12.656 1.00 0.00 C ATOM 64 O GLY A 6 -11.413 -15.057 11.494 1.00 0.00 O ATOM 0 H GLY A 6 -10.052 -15.501 14.329 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.635 -13.284 14.156 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.499 -13.072 12.839 1.00 0.00 H new ATOM 68 N PRO A 7 -12.768 -15.424 13.256 1.00 0.00 N ATOM 69 CA PRO A 7 -13.622 -16.406 12.623 1.00 0.00 C ATOM 70 C PRO A 7 -14.522 -15.719 11.605 1.00 0.00 C ATOM 71 O PRO A 7 -15.573 -16.246 11.248 1.00 0.00 O ATOM 72 CB PRO A 7 -14.443 -17.004 13.764 1.00 0.00 C ATOM 73 CG PRO A 7 -14.541 -15.844 14.753 1.00 0.00 C ATOM 74 CD PRO A 7 -13.176 -15.175 14.622 1.00 0.00 C ATOM 0 HA PRO A 7 -13.063 -17.173 12.087 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.426 -17.332 13.426 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.952 -17.871 14.205 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -15.352 -15.162 14.498 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -14.725 -16.193 15.769 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.239 -14.106 14.827 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.461 -15.594 15.330 1.00 0.00 H new ATOM 82 N VAL A 8 -14.106 -14.538 11.139 1.00 0.00 N ATOM 83 CA VAL A 8 -14.875 -13.786 10.169 1.00 0.00 C ATOM 84 C VAL A 8 -14.073 -13.631 8.885 1.00 0.00 C ATOM 85 O VAL A 8 -12.847 -13.750 8.901 1.00 0.00 O ATOM 86 CB VAL A 8 -15.231 -12.421 10.752 1.00 0.00 C ATOM 87 CG1 VAL A 8 -13.953 -11.646 11.050 1.00 0.00 C ATOM 88 CG2 VAL A 8 -16.075 -11.643 9.745 1.00 0.00 C ATOM 0 H VAL A 8 -13.236 -14.089 11.425 1.00 0.00 H new ATOM 0 HA VAL A 8 -15.797 -14.319 9.937 1.00 0.00 H new ATOM 0 HB VAL A 8 -15.797 -12.556 11.674 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.207 -10.671 11.466 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.350 -12.201 11.768 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.386 -11.510 10.129 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.330 -10.668 10.160 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.509 -11.508 8.823 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.989 -12.197 9.532 1.00 0.00 H new ATOM 98 N LEU A 9 -14.763 -13.368 7.776 1.00 0.00 N ATOM 99 CA LEU A 9 -14.119 -13.207 6.473 1.00 0.00 C ATOM 100 C LEU A 9 -13.673 -11.763 6.229 1.00 0.00 C ATOM 101 O LEU A 9 -12.490 -11.440 6.311 1.00 0.00 O ATOM 102 CB LEU A 9 -15.080 -13.650 5.366 1.00 0.00 C ATOM 103 CG LEU A 9 -14.508 -14.706 4.397 1.00 0.00 C ATOM 104 CD1 LEU A 9 -13.282 -14.174 3.660 1.00 0.00 C ATOM 105 CD2 LEU A 9 -14.160 -15.993 5.136 1.00 0.00 C ATOM 0 H LEU A 9 -15.777 -13.261 7.755 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.226 -13.832 6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.983 -14.051 5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.378 -12.773 4.791 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.281 -14.927 3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.902 -14.941 2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -13.558 -13.290 3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.509 -13.911 4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.759 -16.721 4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.415 -15.782 5.903 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.057 -16.398 5.604 1.00 0.00 H new ATOM 117 N GLY A 10 -14.641 -10.895 5.923 1.00 0.00 N ATOM 118 CA GLY A 10 -14.357 -9.499 5.662 1.00 0.00 C ATOM 119 C GLY A 10 -13.555 -9.355 4.376 1.00 0.00 C ATOM 120 O GLY A 10 -12.331 -9.249 4.409 1.00 0.00 O ATOM 0 H GLY A 10 -15.628 -11.144 5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -15.289 -8.940 5.582 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.800 -9.072 6.496 1.00 0.00 H new ATOM 124 N GLY A 11 -14.252 -9.350 3.236 1.00 0.00 N ATOM 125 CA GLY A 11 -13.602 -9.220 1.947 1.00 0.00 C ATOM 126 C GLY A 11 -13.023 -7.821 1.787 1.00 0.00 C ATOM 127 O GLY A 11 -12.588 -7.210 2.761 1.00 0.00 O ATOM 0 H GLY A 11 -15.267 -9.435 3.189 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -12.809 -9.962 1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.318 -9.418 1.149 1.00 0.00 H new ATOM 131 N VAL A 12 -13.019 -7.315 0.552 1.00 0.00 N ATOM 132 CA VAL A 12 -12.496 -5.994 0.268 1.00 0.00 C ATOM 133 C VAL A 12 -13.189 -4.965 1.150 1.00 0.00 C ATOM 134 O VAL A 12 -14.226 -4.422 0.777 1.00 0.00 O ATOM 135 CB VAL A 12 -12.707 -5.671 -1.208 1.00 0.00 C ATOM 136 CG1 VAL A 12 -14.122 -6.067 -1.619 1.00 0.00 C ATOM 137 CG2 VAL A 12 -12.512 -4.174 -1.434 1.00 0.00 C ATOM 0 H VAL A 12 -13.376 -7.810 -0.265 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.428 -5.967 0.483 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.986 -6.226 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.273 -5.836 -2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.262 -7.136 -1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.844 -5.512 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.663 -3.943 -2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.233 -3.619 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.501 -3.890 -1.141 1.00 0.00 H new ATOM 147 N GLU A 13 -12.612 -4.697 2.324 1.00 0.00 N ATOM 148 CA GLU A 13 -13.176 -3.735 3.249 1.00 0.00 C ATOM 149 C GLU A 13 -12.329 -2.472 3.265 1.00 0.00 C ATOM 150 O GLU A 13 -11.167 -2.504 3.663 1.00 0.00 O ATOM 151 CB GLU A 13 -13.252 -4.355 4.642 1.00 0.00 C ATOM 152 CG GLU A 13 -14.242 -3.568 5.496 1.00 0.00 C ATOM 153 CD GLU A 13 -15.485 -4.396 5.787 1.00 0.00 C ATOM 154 OE1 GLU A 13 -15.368 -5.322 6.617 1.00 0.00 O ATOM 155 OE2 GLU A 13 -16.530 -4.085 5.174 1.00 0.00 O ATOM 0 H GLU A 13 -11.752 -5.139 2.649 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.183 -3.466 2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.564 -5.397 4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.267 -4.348 5.109 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.768 -3.275 6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.524 -2.650 4.980 1.00 0.00 H new ATOM 162 N PRO A 14 -12.917 -1.353 2.831 1.00 0.00 N ATOM 163 CA PRO A 14 -12.269 -0.060 2.776 1.00 0.00 C ATOM 164 C PRO A 14 -12.106 0.489 4.187 1.00 0.00 C ATOM 165 O PRO A 14 -13.081 0.601 4.928 1.00 0.00 O ATOM 166 CB PRO A 14 -13.212 0.815 1.954 1.00 0.00 C ATOM 167 CG PRO A 14 -14.584 0.214 2.259 1.00 0.00 C ATOM 168 CD PRO A 14 -14.281 -1.280 2.356 1.00 0.00 C ATOM 0 HA PRO A 14 -11.274 -0.102 2.333 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.154 1.862 2.251 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -12.979 0.772 0.890 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.000 0.604 3.188 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.305 0.431 1.471 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.966 -1.778 3.042 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.389 -1.769 1.388 1.00 0.00 H new ATOM 176 N VAL A 15 -10.870 0.829 4.558 1.00 0.00 N ATOM 177 CA VAL A 15 -10.586 1.362 5.874 1.00 0.00 C ATOM 178 C VAL A 15 -9.782 2.649 5.747 1.00 0.00 C ATOM 179 O VAL A 15 -9.753 3.263 4.683 1.00 0.00 O ATOM 180 CB VAL A 15 -9.818 0.324 6.688 1.00 0.00 C ATOM 181 CG1 VAL A 15 -9.785 0.748 8.153 1.00 0.00 C ATOM 182 CG2 VAL A 15 -10.512 -1.030 6.566 1.00 0.00 C ATOM 0 H VAL A 15 -10.052 0.741 3.955 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.520 1.589 6.388 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.799 0.247 6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.237 0.007 8.734 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.291 1.716 8.241 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.804 0.825 8.533 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.965 -1.773 7.147 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.531 -0.952 6.945 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.536 -1.334 5.519 1.00 0.00 H new ATOM 192 N GLY A 16 -9.128 3.057 6.837 1.00 0.00 N ATOM 193 CA GLY A 16 -8.330 4.266 6.838 1.00 0.00 C ATOM 194 C GLY A 16 -7.842 4.576 8.246 1.00 0.00 C ATOM 195 O GLY A 16 -7.369 3.687 8.953 1.00 0.00 O ATOM 0 H GLY A 16 -9.141 2.560 7.728 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.478 4.148 6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.921 5.100 6.459 1.00 0.00 H new ATOM 199 N ASN A 17 -7.957 5.842 8.653 1.00 0.00 N ATOM 200 CA ASN A 17 -7.528 6.261 9.972 1.00 0.00 C ATOM 201 C ASN A 17 -6.039 5.998 10.141 1.00 0.00 C ATOM 202 O ASN A 17 -5.631 4.871 10.414 1.00 0.00 O ATOM 203 CB ASN A 17 -8.334 5.512 11.029 1.00 0.00 C ATOM 204 CG ASN A 17 -9.198 6.472 11.836 1.00 0.00 C ATOM 205 OD1 ASN A 17 -10.398 6.255 11.984 1.00 0.00 O ATOM 206 ND2 ASN A 17 -8.582 7.534 12.360 1.00 0.00 N ATOM 0 H ASN A 17 -8.346 6.591 8.080 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.701 7.330 10.092 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.965 4.765 10.548 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.658 4.977 11.696 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.111 8.209 12.912 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.583 7.670 12.209 1.00 0.00 H new ATOM 213 N GLU A 18 -5.226 7.044 9.980 1.00 0.00 N ATOM 214 CA GLU A 18 -3.788 6.920 10.119 1.00 0.00 C ATOM 215 C GLU A 18 -3.435 6.548 11.552 1.00 0.00 C ATOM 216 O GLU A 18 -2.326 6.090 11.822 1.00 0.00 O ATOM 217 CB GLU A 18 -3.126 8.237 9.723 1.00 0.00 C ATOM 218 CG GLU A 18 -3.577 9.340 10.676 1.00 0.00 C ATOM 219 CD GLU A 18 -3.043 10.694 10.231 1.00 0.00 C ATOM 220 OE1 GLU A 18 -1.822 10.764 9.972 1.00 0.00 O ATOM 221 OE2 GLU A 18 -3.865 11.632 10.161 1.00 0.00 O ATOM 0 H GLU A 18 -5.547 7.985 9.753 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.423 6.131 9.462 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.041 8.135 9.755 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.392 8.496 8.698 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.666 9.369 10.716 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.227 9.120 11.685 1.00 0.00 H new ATOM 228 N ASN A 19 -4.383 6.743 12.471 1.00 0.00 N ATOM 229 CA ASN A 19 -4.167 6.426 13.868 1.00 0.00 C ATOM 230 C ASN A 19 -3.534 5.047 13.996 1.00 0.00 C ATOM 231 O ASN A 19 -2.913 4.737 15.010 1.00 0.00 O ATOM 232 CB ASN A 19 -5.500 6.480 14.611 1.00 0.00 C ATOM 233 CG ASN A 19 -5.543 7.667 15.563 1.00 0.00 C ATOM 234 OD1 ASN A 19 -4.633 7.851 16.369 1.00 0.00 O ATOM 235 ND2 ASN A 19 -6.602 8.474 15.467 1.00 0.00 N ATOM 0 H ASN A 19 -5.308 7.120 12.263 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.488 7.156 14.309 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.318 6.554 13.894 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.648 5.555 15.169 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.682 9.286 16.079 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.332 8.279 14.781 1.00 0.00 H new ATOM 242 N ASP A 20 -3.693 4.220 12.960 1.00 0.00 N ATOM 243 CA ASP A 20 -3.139 2.881 12.960 1.00 0.00 C ATOM 244 C ASP A 20 -1.726 2.909 12.394 1.00 0.00 C ATOM 245 O ASP A 20 -1.536 2.731 11.191 1.00 0.00 O ATOM 246 CB ASP A 20 -4.034 1.962 12.135 1.00 0.00 C ATOM 247 CG ASP A 20 -5.483 2.422 12.189 1.00 0.00 C ATOM 248 OD1 ASP A 20 -5.945 2.715 13.314 1.00 0.00 O ATOM 249 OD2 ASP A 20 -6.104 2.473 11.106 1.00 0.00 O ATOM 0 H ASP A 20 -4.204 4.463 12.112 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.093 2.501 13.981 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.691 1.947 11.100 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.958 0.941 12.510 1.00 0.00 H new ATOM 254 N LEU A 21 -0.739 3.133 13.261 1.00 0.00 N ATOM 255 CA LEU A 21 0.664 3.196 12.849 1.00 0.00 C ATOM 256 C LEU A 21 1.009 2.112 11.825 1.00 0.00 C ATOM 257 O LEU A 21 1.677 2.382 10.828 1.00 0.00 O ATOM 258 CB LEU A 21 1.567 3.062 14.078 1.00 0.00 C ATOM 259 CG LEU A 21 1.606 1.652 14.701 1.00 0.00 C ATOM 260 CD1 LEU A 21 2.927 0.949 14.399 1.00 0.00 C ATOM 261 CD2 LEU A 21 1.378 1.716 16.207 1.00 0.00 C ATOM 0 H LEU A 21 -0.886 3.275 14.260 1.00 0.00 H new ATOM 0 HA LEU A 21 0.829 4.162 12.371 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.581 3.349 13.799 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.232 3.770 14.836 1.00 0.00 H new ATOM 0 HG LEU A 21 0.800 1.073 14.250 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.923 -0.043 14.852 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.051 0.855 13.320 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.752 1.532 14.809 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.410 0.709 16.623 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.157 2.324 16.667 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.404 2.161 16.409 1.00 0.00 H new ATOM 273 N HIS A 22 0.549 0.886 12.093 1.00 0.00 N ATOM 274 CA HIS A 22 0.789 -0.257 11.210 1.00 0.00 C ATOM 275 C HIS A 22 0.378 0.085 9.766 1.00 0.00 C ATOM 276 O HIS A 22 1.185 -0.088 8.851 1.00 0.00 O ATOM 277 CB HIS A 22 0.036 -1.492 11.719 1.00 0.00 C ATOM 278 CG HIS A 22 0.204 -2.691 10.837 1.00 0.00 C ATOM 279 ND1 HIS A 22 0.243 -2.802 9.487 1.00 0.00 N flip ATOM 280 CD2 HIS A 22 0.370 -3.969 11.329 1.00 0.00 C flip ATOM 281 CE1 HIS A 22 0.428 -4.131 9.195 1.00 0.00 C flip ATOM 282 NE2 HIS A 22 0.503 -4.814 10.321 1.00 0.00 N flip ATOM 0 H HIS A 22 0.003 0.660 12.924 1.00 0.00 H new ATOM 0 HA HIS A 22 1.855 -0.485 11.213 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.386 -1.735 12.722 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.025 -1.255 11.800 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.388 -4.237 12.375 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.500 -4.550 8.202 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.640 -5.822 10.400 1.00 0.00 H new ATOM 291 N LEU A 23 -0.855 0.547 9.568 1.00 0.00 N ATOM 292 CA LEU A 23 -1.362 0.879 8.237 1.00 0.00 C ATOM 293 C LEU A 23 -0.432 1.840 7.492 1.00 0.00 C ATOM 294 O LEU A 23 0.049 1.541 6.403 1.00 0.00 O ATOM 295 CB LEU A 23 -2.759 1.494 8.357 1.00 0.00 C ATOM 296 CG LEU A 23 -3.834 0.553 8.943 1.00 0.00 C ATOM 297 CD1 LEU A 23 -4.593 -0.176 7.838 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.211 -0.452 9.905 1.00 0.00 C ATOM 0 H LEU A 23 -1.527 0.701 10.320 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.410 -0.044 7.660 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.696 2.384 8.983 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.083 1.821 7.369 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.544 1.169 9.495 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.343 -0.831 8.282 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.084 0.552 7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.895 -0.771 7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.988 -1.103 10.304 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.471 -1.052 9.375 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.727 0.080 10.724 1.00 0.00 H new ATOM 310 N VAL A 24 -0.188 3.005 8.099 1.00 0.00 N ATOM 311 CA VAL A 24 0.670 4.011 7.506 1.00 0.00 C ATOM 312 C VAL A 24 2.035 3.409 7.204 1.00 0.00 C ATOM 313 O VAL A 24 2.613 3.672 6.152 1.00 0.00 O ATOM 314 CB VAL A 24 0.799 5.194 8.460 1.00 0.00 C ATOM 315 CG1 VAL A 24 2.101 5.937 8.175 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.381 6.140 8.259 1.00 0.00 C ATOM 0 H VAL A 24 -0.579 3.267 9.004 1.00 0.00 H new ATOM 0 HA VAL A 24 0.235 4.362 6.571 1.00 0.00 H new ATOM 0 HB VAL A 24 0.804 4.833 9.488 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.194 6.783 8.856 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.944 5.261 8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.096 6.298 7.147 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.290 6.986 8.941 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.386 6.502 7.231 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.311 5.610 8.462 1.00 0.00 H new ATOM 326 N ASP A 25 2.550 2.597 8.130 1.00 0.00 N ATOM 327 CA ASP A 25 3.842 1.964 7.960 1.00 0.00 C ATOM 328 C ASP A 25 3.944 1.371 6.562 1.00 0.00 C ATOM 329 O ASP A 25 4.968 1.526 5.894 1.00 0.00 O ATOM 330 CB ASP A 25 4.022 0.883 9.021 1.00 0.00 C ATOM 331 CG ASP A 25 5.457 0.376 9.043 1.00 0.00 C ATOM 332 OD1 ASP A 25 5.790 -0.427 8.145 1.00 0.00 O ATOM 333 OD2 ASP A 25 6.195 0.802 9.957 1.00 0.00 O ATOM 0 H ASP A 25 2.082 2.367 9.007 1.00 0.00 H new ATOM 0 HA ASP A 25 4.633 2.704 8.078 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.758 1.282 10.000 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.343 0.055 8.821 1.00 0.00 H new ATOM 338 N LEU A 26 2.885 0.694 6.121 1.00 0.00 N ATOM 339 CA LEU A 26 2.854 0.063 4.801 1.00 0.00 C ATOM 340 C LEU A 26 3.046 1.081 3.674 1.00 0.00 C ATOM 341 O LEU A 26 3.915 0.925 2.820 1.00 0.00 O ATOM 342 CB LEU A 26 1.525 -0.675 4.616 1.00 0.00 C ATOM 343 CG LEU A 26 1.225 -1.748 5.684 1.00 0.00 C ATOM 344 CD1 LEU A 26 0.903 -3.094 5.044 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.392 -1.892 6.654 1.00 0.00 C ATOM 0 H LEU A 26 2.030 0.567 6.663 1.00 0.00 H new ATOM 0 HA LEU A 26 3.683 -0.643 4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.716 0.056 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.523 -1.149 3.635 1.00 0.00 H new ATOM 0 HG LEU A 26 0.348 -1.418 6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.697 -3.827 5.823 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.028 -2.991 4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.753 -3.427 4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.156 -2.654 7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.287 -2.185 6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.569 -0.940 7.155 1.00 0.00 H new ATOM 357 N ALA A 27 2.217 2.127 3.684 1.00 0.00 N ATOM 358 CA ALA A 27 2.283 3.164 2.674 1.00 0.00 C ATOM 359 C ALA A 27 3.626 3.875 2.752 1.00 0.00 C ATOM 360 O ALA A 27 4.335 3.978 1.753 1.00 0.00 O ATOM 361 CB ALA A 27 1.137 4.150 2.882 1.00 0.00 C ATOM 0 H ALA A 27 1.492 2.271 4.387 1.00 0.00 H new ATOM 0 HA ALA A 27 2.187 2.719 1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.186 4.930 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.186 3.624 2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.220 4.601 3.871 1.00 0.00 H new ATOM 367 N ARG A 28 3.975 4.366 3.943 1.00 0.00 N ATOM 368 CA ARG A 28 5.228 5.065 4.146 1.00 0.00 C ATOM 369 C ARG A 28 6.391 4.156 3.769 1.00 0.00 C ATOM 370 O ARG A 28 7.430 4.630 3.315 1.00 0.00 O ATOM 371 CB ARG A 28 5.335 5.505 5.603 1.00 0.00 C ATOM 372 CG ARG A 28 4.732 6.897 5.759 1.00 0.00 C ATOM 373 CD ARG A 28 5.160 7.489 7.099 1.00 0.00 C ATOM 374 NE ARG A 28 6.608 7.693 7.145 1.00 0.00 N ATOM 375 CZ ARG A 28 7.459 6.755 7.579 1.00 0.00 C ATOM 376 NH1 ARG A 28 6.995 5.569 7.995 1.00 0.00 N ATOM 377 NH2 ARG A 28 8.777 7.002 7.598 1.00 0.00 N ATOM 0 H ARG A 28 3.398 4.287 4.781 1.00 0.00 H new ATOM 0 HA ARG A 28 5.263 5.950 3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.814 4.797 6.247 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.379 5.512 5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.061 7.541 4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.645 6.842 5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.650 8.439 7.260 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.857 6.824 7.908 1.00 0.00 H new ATOM 0 HE ARG A 28 6.985 8.588 6.833 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.993 5.380 7.981 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.644 4.855 8.325 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.131 7.905 7.282 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.425 6.287 7.929 1.00 0.00 H new ATOM 391 N PHE A 29 6.214 2.848 3.962 1.00 0.00 N ATOM 392 CA PHE A 29 7.247 1.883 3.642 1.00 0.00 C ATOM 393 C PHE A 29 7.485 1.861 2.138 1.00 0.00 C ATOM 394 O PHE A 29 8.622 1.974 1.686 1.00 0.00 O ATOM 395 CB PHE A 29 6.826 0.505 4.144 1.00 0.00 C ATOM 396 CG PHE A 29 7.503 -0.634 3.418 1.00 0.00 C ATOM 397 CD1 PHE A 29 8.848 -0.524 3.043 1.00 0.00 C ATOM 398 CD2 PHE A 29 6.785 -1.797 3.117 1.00 0.00 C ATOM 399 CE1 PHE A 29 9.474 -1.578 2.368 1.00 0.00 C ATOM 400 CE2 PHE A 29 7.412 -2.851 2.441 1.00 0.00 C ATOM 401 CZ PHE A 29 8.756 -2.742 2.067 1.00 0.00 C ATOM 0 H PHE A 29 5.359 2.439 4.340 1.00 0.00 H new ATOM 0 HA PHE A 29 8.179 2.165 4.132 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.050 0.431 5.208 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.746 0.403 4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.402 0.374 3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.748 -1.882 3.406 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.511 -1.494 2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.858 -3.748 2.208 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.239 -3.555 1.546 1.00 0.00 H new ATOM 411 N ALA A 30 6.407 1.713 1.364 1.00 0.00 N ATOM 412 CA ALA A 30 6.503 1.674 -0.081 1.00 0.00 C ATOM 413 C ALA A 30 7.387 2.814 -0.568 1.00 0.00 C ATOM 414 O ALA A 30 8.479 2.580 -1.081 1.00 0.00 O ATOM 415 CB ALA A 30 5.106 1.775 -0.685 1.00 0.00 C ATOM 0 H ALA A 30 5.458 1.619 1.724 1.00 0.00 H new ATOM 0 HA ALA A 30 6.952 0.732 -0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.177 1.746 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.498 0.939 -0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.643 2.712 -0.377 1.00 0.00 H new ATOM 421 N VAL A 31 6.909 4.051 -0.408 1.00 0.00 N ATOM 422 CA VAL A 31 7.656 5.219 -0.833 1.00 0.00 C ATOM 423 C VAL A 31 9.129 5.037 -0.499 1.00 0.00 C ATOM 424 O VAL A 31 9.992 5.266 -1.345 1.00 0.00 O ATOM 425 CB VAL A 31 7.093 6.459 -0.143 1.00 0.00 C ATOM 426 CG1 VAL A 31 7.617 7.710 -0.840 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.570 6.435 -0.217 1.00 0.00 C ATOM 0 H VAL A 31 6.005 4.261 0.015 1.00 0.00 H new ATOM 0 HA VAL A 31 7.562 5.345 -1.912 1.00 0.00 H new ATOM 0 HB VAL A 31 7.405 6.467 0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.215 8.596 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.706 7.727 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.305 7.702 -1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.168 7.320 0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.257 6.427 -1.261 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.196 5.541 0.281 1.00 0.00 H new ATOM 437 N THR A 32 9.418 4.625 0.737 1.00 0.00 N ATOM 438 CA THR A 32 10.784 4.415 1.170 1.00 0.00 C ATOM 439 C THR A 32 11.459 3.384 0.278 1.00 0.00 C ATOM 440 O THR A 32 12.404 3.702 -0.441 1.00 0.00 O ATOM 441 CB THR A 32 10.790 3.957 2.627 1.00 0.00 C ATOM 442 OG1 THR A 32 10.533 5.059 3.467 1.00 0.00 O ATOM 443 CG2 THR A 32 12.154 3.363 2.967 1.00 0.00 C ATOM 0 H THR A 32 8.716 4.432 1.451 1.00 0.00 H new ATOM 0 HA THR A 32 11.340 5.349 1.093 1.00 0.00 H new ATOM 0 HB THR A 32 10.018 3.201 2.774 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.565 5.167 3.578 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.159 3.036 4.007 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.352 2.510 2.317 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.926 4.118 2.820 1.00 0.00 H new ATOM 451 N GLU A 33 10.969 2.142 0.326 1.00 0.00 N ATOM 452 CA GLU A 33 11.527 1.073 -0.478 1.00 0.00 C ATOM 453 C GLU A 33 11.812 1.576 -1.887 1.00 0.00 C ATOM 454 O GLU A 33 12.928 1.420 -2.383 1.00 0.00 O ATOM 455 CB GLU A 33 10.549 -0.099 -0.511 1.00 0.00 C ATOM 456 CG GLU A 33 11.123 -1.216 -1.375 1.00 0.00 C ATOM 457 CD GLU A 33 12.062 -2.101 -0.567 1.00 0.00 C ATOM 458 OE1 GLU A 33 11.541 -2.842 0.295 1.00 0.00 O ATOM 459 OE2 GLU A 33 13.282 -2.020 -0.826 1.00 0.00 O ATOM 0 H GLU A 33 10.186 1.861 0.916 1.00 0.00 H new ATOM 0 HA GLU A 33 12.466 0.737 -0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.368 -0.464 0.500 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.588 0.226 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.312 -1.818 -1.784 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.660 -0.787 -2.221 1.00 0.00 H new ATOM 466 N HIS A 34 10.801 2.177 -2.522 1.00 0.00 N ATOM 467 CA HIS A 34 10.933 2.722 -3.875 1.00 0.00 C ATOM 468 C HIS A 34 12.098 3.727 -3.938 1.00 0.00 C ATOM 469 O HIS A 34 12.948 3.616 -4.819 1.00 0.00 O ATOM 470 CB HIS A 34 9.618 3.374 -4.317 1.00 0.00 C ATOM 471 CG HIS A 34 9.585 3.701 -5.780 1.00 0.00 C ATOM 472 ND1 HIS A 34 10.528 4.237 -6.591 1.00 0.00 N flip ATOM 473 CD2 HIS A 34 8.484 3.467 -6.578 1.00 0.00 C flip ATOM 474 CE1 HIS A 34 9.983 4.316 -7.850 1.00 0.00 C flip ATOM 475 NE2 HIS A 34 8.751 3.844 -7.816 1.00 0.00 N flip ATOM 0 H HIS A 34 9.874 2.299 -2.115 1.00 0.00 H new ATOM 0 HA HIS A 34 11.154 1.906 -4.563 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.791 2.704 -4.082 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.462 4.287 -3.743 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.549 3.042 -6.243 1.00 0.00 H new ATOM 0 HE1 HIS A 34 10.482 4.702 -8.726 1.00 0.00 H new ATOM 0 HE2 HIS A 34 8.114 3.781 -8.610 1.00 0.00 H new ATOM 484 N ASN A 35 12.124 4.701 -3.024 1.00 0.00 N ATOM 485 CA ASN A 35 13.169 5.704 -3.008 1.00 0.00 C ATOM 486 C ASN A 35 14.531 5.033 -2.901 1.00 0.00 C ATOM 487 O ASN A 35 15.500 5.488 -3.504 1.00 0.00 O ATOM 488 CB ASN A 35 12.942 6.654 -1.835 1.00 0.00 C ATOM 489 CG ASN A 35 11.567 7.302 -1.919 1.00 0.00 C ATOM 490 OD1 ASN A 35 11.004 7.700 -0.901 1.00 0.00 O ATOM 491 ND2 ASN A 35 11.029 7.410 -3.136 1.00 0.00 N ATOM 0 H ASN A 35 11.427 4.808 -2.287 1.00 0.00 H new ATOM 0 HA ASN A 35 13.141 6.276 -3.935 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.034 6.108 -0.896 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.712 7.425 -1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.111 7.838 -3.251 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.536 7.064 -3.950 1.00 0.00 H new ATOM 498 N LYS A 36 14.601 3.945 -2.131 1.00 0.00 N ATOM 499 CA LYS A 36 15.841 3.217 -1.950 1.00 0.00 C ATOM 500 C LYS A 36 16.376 2.762 -3.301 1.00 0.00 C ATOM 501 O LYS A 36 17.583 2.780 -3.531 1.00 0.00 O ATOM 502 CB LYS A 36 15.598 2.020 -1.035 1.00 0.00 C ATOM 503 CG LYS A 36 16.217 2.291 0.333 1.00 0.00 C ATOM 504 CD LYS A 36 15.767 1.217 1.319 1.00 0.00 C ATOM 505 CE LYS A 36 16.990 0.556 1.945 1.00 0.00 C ATOM 506 NZ LYS A 36 16.823 -0.905 2.015 1.00 0.00 N ATOM 0 H LYS A 36 13.806 3.554 -1.625 1.00 0.00 H new ATOM 0 HA LYS A 36 16.584 3.867 -1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.528 1.839 -0.932 1.00 0.00 H new ATOM 0 HB3 LYS A 36 16.033 1.121 -1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.304 2.297 0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 36 15.917 3.276 0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.143 1.660 2.095 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.159 0.471 0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 36 17.877 0.796 1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.151 0.955 2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.669 -1.331 2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.989 -1.132 2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 16.693 -1.286 1.056 1.00 0.00 H new ATOM 520 N LYS A 37 15.474 2.355 -4.195 1.00 0.00 N ATOM 521 CA LYS A 37 15.859 1.899 -5.515 1.00 0.00 C ATOM 522 C LYS A 37 15.885 3.074 -6.482 1.00 0.00 C ATOM 523 O LYS A 37 16.948 3.468 -6.956 1.00 0.00 O ATOM 524 CB LYS A 37 14.877 0.832 -5.990 1.00 0.00 C ATOM 525 CG LYS A 37 15.645 -0.429 -6.379 1.00 0.00 C ATOM 526 CD LYS A 37 15.936 -1.254 -5.129 1.00 0.00 C ATOM 527 CE LYS A 37 16.342 -2.667 -5.536 1.00 0.00 C ATOM 528 NZ LYS A 37 15.160 -3.495 -5.822 1.00 0.00 N ATOM 0 H LYS A 37 14.469 2.335 -4.020 1.00 0.00 H new ATOM 0 HA LYS A 37 16.858 1.465 -5.475 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.160 0.605 -5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.307 1.201 -6.842 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.063 -1.017 -7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.577 -0.161 -6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.733 -0.788 -4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.054 -1.287 -4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.983 -2.625 -6.417 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.927 -3.125 -4.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.462 -4.465 -6.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.537 -3.510 -4.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.645 -3.096 -6.632 1.00 0.00 H new ATOM 542 N ALA A 38 14.709 3.635 -6.773 1.00 0.00 N ATOM 543 CA ALA A 38 14.601 4.760 -7.680 1.00 0.00 C ATOM 544 C ALA A 38 15.321 5.966 -7.093 1.00 0.00 C ATOM 545 O ALA A 38 15.014 7.104 -7.439 1.00 0.00 O ATOM 546 CB ALA A 38 13.129 5.075 -7.926 1.00 0.00 C ATOM 0 H ALA A 38 13.819 3.320 -6.387 1.00 0.00 H new ATOM 0 HA ALA A 38 15.069 4.511 -8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.047 5.921 -8.608 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.639 4.206 -8.365 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.647 5.323 -6.980 1.00 0.00 H new ATOM 552 N ASN A 39 16.280 5.713 -6.200 1.00 0.00 N ATOM 553 CA ASN A 39 17.036 6.779 -5.571 1.00 0.00 C ATOM 554 C ASN A 39 16.102 7.910 -5.167 1.00 0.00 C ATOM 555 O ASN A 39 16.512 9.067 -5.103 1.00 0.00 O ATOM 556 CB ASN A 39 18.106 7.279 -6.537 1.00 0.00 C ATOM 557 CG ASN A 39 19.500 6.983 -6.004 1.00 0.00 C ATOM 558 OD1 ASN A 39 19.853 5.823 -5.795 1.00 0.00 O ATOM 559 ND2 ASN A 39 20.295 8.033 -5.786 1.00 0.00 N ATOM 0 H ASN A 39 16.546 4.775 -5.901 1.00 0.00 H new ATOM 0 HA ASN A 39 17.523 6.402 -4.672 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.975 6.803 -7.509 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.991 8.352 -6.690 1.00 0.00 H new ATOM 0 HD21 ASN A 39 21.241 7.892 -5.431 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.957 8.977 -5.975 1.00 0.00 H new ATOM 566 N SER A 40 14.839 7.573 -4.895 1.00 0.00 N ATOM 567 CA SER A 40 13.853 8.559 -4.500 1.00 0.00 C ATOM 568 C SER A 40 13.390 9.344 -5.718 1.00 0.00 C ATOM 569 O SER A 40 14.143 9.502 -6.680 1.00 0.00 O ATOM 570 CB SER A 40 14.459 9.490 -3.454 1.00 0.00 C ATOM 571 OG SER A 40 15.355 8.764 -2.640 1.00 0.00 O ATOM 0 H SER A 40 14.482 6.619 -4.944 1.00 0.00 H new ATOM 0 HA SER A 40 12.987 8.060 -4.066 1.00 0.00 H new ATOM 0 HB2 SER A 40 14.980 10.313 -3.943 1.00 0.00 H new ATOM 0 HB3 SER A 40 13.671 9.930 -2.843 1.00 0.00 H new ATOM 0 HG SER A 40 15.745 9.362 -1.969 1.00 0.00 H new ATOM 577 N LEU A 41 12.151 9.836 -5.675 1.00 0.00 N ATOM 578 CA LEU A 41 11.575 10.601 -6.781 1.00 0.00 C ATOM 579 C LEU A 41 10.465 11.542 -6.309 1.00 0.00 C ATOM 580 O LEU A 41 10.110 12.498 -6.998 1.00 0.00 O ATOM 581 CB LEU A 41 11.029 9.639 -7.840 1.00 0.00 C ATOM 582 CG LEU A 41 9.553 9.231 -7.644 1.00 0.00 C ATOM 583 CD1 LEU A 41 8.944 8.715 -8.946 1.00 0.00 C ATOM 584 CD2 LEU A 41 9.419 8.181 -6.549 1.00 0.00 C ATOM 0 H LEU A 41 11.523 9.717 -4.880 1.00 0.00 H new ATOM 0 HA LEU A 41 12.366 11.217 -7.209 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.136 10.102 -8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.643 8.738 -7.844 1.00 0.00 H new ATOM 0 HG LEU A 41 9.005 10.123 -7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.904 8.436 -8.776 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.990 9.497 -9.704 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.502 7.844 -9.289 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.370 7.911 -6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.993 7.296 -6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.798 8.584 -5.610 1.00 0.00 H new ATOM 596 N LEU A 42 9.920 11.256 -5.126 1.00 0.00 N ATOM 597 CA LEU A 42 8.838 12.054 -4.550 1.00 0.00 C ATOM 598 C LEU A 42 8.957 12.169 -3.029 1.00 0.00 C ATOM 599 O LEU A 42 9.922 11.697 -2.430 1.00 0.00 O ATOM 600 CB LEU A 42 7.488 11.434 -4.922 1.00 0.00 C ATOM 601 CG LEU A 42 7.387 9.913 -4.688 1.00 0.00 C ATOM 602 CD1 LEU A 42 7.057 9.597 -3.232 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.348 9.286 -5.611 1.00 0.00 C ATOM 0 H LEU A 42 10.213 10.471 -4.544 1.00 0.00 H new ATOM 0 HA LEU A 42 8.912 13.061 -4.961 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.706 11.929 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.287 11.640 -5.973 1.00 0.00 H new ATOM 0 HG LEU A 42 8.361 9.482 -4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.993 8.517 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.840 9.996 -2.587 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.102 10.052 -2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.297 8.213 -5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.373 9.734 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.630 9.462 -6.649 1.00 0.00 H new ATOM 615 N GLU A 43 7.963 12.809 -2.410 1.00 0.00 N ATOM 616 CA GLU A 43 7.952 12.993 -0.973 1.00 0.00 C ATOM 617 C GLU A 43 6.542 12.793 -0.434 1.00 0.00 C ATOM 618 O GLU A 43 5.679 13.652 -0.610 1.00 0.00 O ATOM 619 CB GLU A 43 8.467 14.388 -0.635 1.00 0.00 C ATOM 620 CG GLU A 43 8.861 14.443 0.837 1.00 0.00 C ATOM 621 CD GLU A 43 10.338 14.770 0.994 1.00 0.00 C ATOM 622 OE1 GLU A 43 11.140 13.813 0.938 1.00 0.00 O ATOM 623 OE2 GLU A 43 10.639 15.972 1.165 1.00 0.00 O ATOM 0 H GLU A 43 7.156 13.207 -2.891 1.00 0.00 H new ATOM 0 HA GLU A 43 8.604 12.256 -0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.325 14.632 -1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.698 15.132 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.262 15.195 1.350 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.644 13.486 1.311 1.00 0.00 H new ATOM 630 N PHE A 44 6.309 11.657 0.225 1.00 0.00 N ATOM 631 CA PHE A 44 5.008 11.352 0.784 1.00 0.00 C ATOM 632 C PHE A 44 4.519 12.524 1.623 1.00 0.00 C ATOM 633 O PHE A 44 5.279 13.095 2.401 1.00 0.00 O ATOM 634 CB PHE A 44 5.104 10.085 1.631 1.00 0.00 C ATOM 635 CG PHE A 44 3.902 9.858 2.515 1.00 0.00 C ATOM 636 CD1 PHE A 44 3.795 10.531 3.738 1.00 0.00 C ATOM 637 CD2 PHE A 44 2.895 8.972 2.113 1.00 0.00 C ATOM 638 CE1 PHE A 44 2.681 10.319 4.559 1.00 0.00 C ATOM 639 CE2 PHE A 44 1.780 8.760 2.934 1.00 0.00 C ATOM 640 CZ PHE A 44 1.674 9.433 4.157 1.00 0.00 C ATOM 0 H PHE A 44 7.013 10.936 0.381 1.00 0.00 H new ATOM 0 HA PHE A 44 4.293 11.183 -0.021 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.228 9.226 0.972 1.00 0.00 H new ATOM 0 HB3 PHE A 44 5.997 10.141 2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.572 11.214 4.048 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.978 8.452 1.170 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.598 10.839 5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.002 8.078 2.624 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.815 9.269 4.791 1.00 0.00 H new ATOM 650 N GLU A 45 3.242 12.883 1.461 1.00 0.00 N ATOM 651 CA GLU A 45 2.660 13.983 2.202 1.00 0.00 C ATOM 652 C GLU A 45 1.856 13.448 3.378 1.00 0.00 C ATOM 653 O GLU A 45 2.035 13.891 4.511 1.00 0.00 O ATOM 654 CB GLU A 45 1.776 14.809 1.273 1.00 0.00 C ATOM 655 CG GLU A 45 0.836 15.677 2.104 1.00 0.00 C ATOM 656 CD GLU A 45 0.822 17.111 1.591 1.00 0.00 C ATOM 657 OE1 GLU A 45 -0.004 17.384 0.695 1.00 0.00 O ATOM 658 OE2 GLU A 45 1.639 17.905 2.106 1.00 0.00 O ATOM 0 H GLU A 45 2.598 12.420 0.819 1.00 0.00 H new ATOM 0 HA GLU A 45 3.452 14.622 2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.393 15.436 0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.200 14.151 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.172 15.264 2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.150 15.663 3.148 1.00 0.00 H new ATOM 665 N LYS A 46 0.964 12.492 3.106 1.00 0.00 N ATOM 666 CA LYS A 46 0.138 11.902 4.140 1.00 0.00 C ATOM 667 C LYS A 46 -0.668 10.748 3.563 1.00 0.00 C ATOM 668 O LYS A 46 -0.551 10.437 2.376 1.00 0.00 O ATOM 669 CB LYS A 46 -0.786 12.969 4.722 1.00 0.00 C ATOM 670 CG LYS A 46 -1.857 13.327 3.698 1.00 0.00 C ATOM 671 CD LYS A 46 -2.889 14.249 4.340 1.00 0.00 C ATOM 672 CE LYS A 46 -4.260 13.988 3.724 1.00 0.00 C ATOM 673 NZ LYS A 46 -4.219 14.146 2.261 1.00 0.00 N ATOM 0 H LYS A 46 0.802 12.115 2.172 1.00 0.00 H new ATOM 0 HA LYS A 46 0.771 11.513 4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.251 12.603 5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.212 13.856 4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.402 13.817 2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.341 12.422 3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.924 14.079 5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.604 15.290 4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.590 12.980 3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.990 14.677 4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.189 14.217 1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.693 15.010 2.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.746 13.323 1.836 1.00 0.00 H new ATOM 687 N LEU A 47 -1.487 10.114 4.402 1.00 0.00 N ATOM 688 CA LEU A 47 -2.310 8.980 3.984 1.00 0.00 C ATOM 689 C LEU A 47 -3.804 9.314 4.017 1.00 0.00 C ATOM 690 O LEU A 47 -4.273 10.037 4.893 1.00 0.00 O ATOM 691 CB LEU A 47 -2.025 7.776 4.886 1.00 0.00 C ATOM 692 CG LEU A 47 -3.212 6.807 5.067 1.00 0.00 C ATOM 693 CD1 LEU A 47 -3.423 5.949 3.822 1.00 0.00 C ATOM 694 CD2 LEU A 47 -3.007 5.918 6.288 1.00 0.00 C ATOM 0 H LEU A 47 -1.598 10.370 5.383 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.049 8.742 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.182 7.222 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.718 8.139 5.867 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.106 7.411 5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.266 5.277 3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.629 6.593 2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.525 5.363 3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.857 5.244 6.394 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.095 5.335 6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.923 6.539 7.180 1.00 0.00 H new ATOM 706 N VAL A 48 -4.545 8.780 3.042 1.00 0.00 N ATOM 707 CA VAL A 48 -5.971 9.018 2.949 1.00 0.00 C ATOM 708 C VAL A 48 -6.728 7.850 3.564 1.00 0.00 C ATOM 709 O VAL A 48 -7.366 8.000 4.603 1.00 0.00 O ATOM 710 CB VAL A 48 -6.359 9.203 1.484 1.00 0.00 C ATOM 711 CG1 VAL A 48 -7.627 10.048 1.397 1.00 0.00 C ATOM 712 CG2 VAL A 48 -5.226 9.907 0.743 1.00 0.00 C ATOM 0 H VAL A 48 -4.171 8.179 2.308 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.231 9.923 3.498 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.540 8.229 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.905 10.181 0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.436 9.545 1.927 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.447 11.022 1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.502 10.039 -0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.045 10.881 1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.320 9.304 0.805 1.00 0.00 H new ATOM 722 N SER A 49 -6.657 6.683 2.920 1.00 0.00 N ATOM 723 CA SER A 49 -7.333 5.498 3.407 1.00 0.00 C ATOM 724 C SER A 49 -6.541 4.256 3.025 1.00 0.00 C ATOM 725 O SER A 49 -5.497 4.355 2.385 1.00 0.00 O ATOM 726 CB SER A 49 -8.742 5.442 2.823 1.00 0.00 C ATOM 727 OG SER A 49 -9.635 6.115 3.684 1.00 0.00 O ATOM 0 H SER A 49 -6.133 6.542 2.056 1.00 0.00 H new ATOM 0 HA SER A 49 -7.405 5.537 4.494 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.756 5.902 1.835 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.054 4.405 2.696 1.00 0.00 H new ATOM 0 HG SER A 49 -9.155 6.820 4.167 1.00 0.00 H new ATOM 733 N VAL A 50 -7.042 3.083 3.420 1.00 0.00 N ATOM 734 CA VAL A 50 -6.382 1.829 3.118 1.00 0.00 C ATOM 735 C VAL A 50 -7.381 0.685 3.216 1.00 0.00 C ATOM 736 O VAL A 50 -8.017 0.501 4.252 1.00 0.00 O ATOM 737 CB VAL A 50 -5.221 1.619 4.086 1.00 0.00 C ATOM 738 CG1 VAL A 50 -5.692 1.894 5.511 1.00 0.00 C ATOM 739 CG2 VAL A 50 -4.727 0.180 3.983 1.00 0.00 C ATOM 0 H VAL A 50 -7.907 2.985 3.952 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.989 1.856 2.102 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.409 2.301 3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.864 1.744 6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.046 2.922 5.585 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.504 1.212 5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.898 0.030 4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.539 -0.502 4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.391 -0.017 2.965 1.00 0.00 H new ATOM 749 N LYS A 51 -7.517 -0.085 2.135 1.00 0.00 N ATOM 750 CA LYS A 51 -8.437 -1.206 2.107 1.00 0.00 C ATOM 751 C LYS A 51 -7.727 -2.469 2.573 1.00 0.00 C ATOM 752 O LYS A 51 -6.539 -2.440 2.881 1.00 0.00 O ATOM 753 CB LYS A 51 -8.980 -1.382 0.692 1.00 0.00 C ATOM 754 CG LYS A 51 -9.465 -0.035 0.163 1.00 0.00 C ATOM 755 CD LYS A 51 -10.687 -0.247 -0.725 1.00 0.00 C ATOM 756 CE LYS A 51 -10.680 0.779 -1.855 1.00 0.00 C ATOM 757 NZ LYS A 51 -11.400 2.001 -1.464 1.00 0.00 N ATOM 0 H LYS A 51 -6.997 0.054 1.269 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.271 -1.013 2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.204 -1.783 0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.799 -2.101 0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.716 0.625 0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.671 0.453 -0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.680 -1.256 -1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.599 -0.149 -0.136 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.652 1.027 -2.119 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.142 0.349 -2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.380 2.682 -2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.387 1.765 -1.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.943 2.422 -0.630 1.00 0.00 H new ATOM 771 N GLN A 52 -8.462 -3.582 2.623 1.00 0.00 N ATOM 772 CA GLN A 52 -7.903 -4.849 3.051 1.00 0.00 C ATOM 773 C GLN A 52 -8.628 -5.995 2.359 1.00 0.00 C ATOM 774 O GLN A 52 -9.855 -6.053 2.370 1.00 0.00 O ATOM 775 CB GLN A 52 -8.024 -4.970 4.568 1.00 0.00 C ATOM 776 CG GLN A 52 -9.451 -4.633 4.994 1.00 0.00 C ATOM 777 CD GLN A 52 -9.678 -4.985 6.456 1.00 0.00 C ATOM 778 OE1 GLN A 52 -10.344 -4.247 7.178 1.00 0.00 O ATOM 779 NE2 GLN A 52 -9.122 -6.118 6.892 1.00 0.00 N ATOM 0 H GLN A 52 -9.449 -3.623 2.370 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.849 -4.896 2.778 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.768 -5.981 4.884 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.319 -4.296 5.055 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.640 -3.571 4.838 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.159 -5.178 4.370 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.577 -6.698 6.253 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.242 -6.404 7.864 1.00 0.00 H new ATOM 788 N GLN A 53 -7.864 -6.908 1.755 1.00 0.00 N ATOM 789 CA GLN A 53 -8.435 -8.045 1.062 1.00 0.00 C ATOM 790 C GLN A 53 -7.906 -9.338 1.666 1.00 0.00 C ATOM 791 O GLN A 53 -6.866 -9.339 2.322 1.00 0.00 O ATOM 792 CB GLN A 53 -8.090 -7.959 -0.422 1.00 0.00 C ATOM 793 CG GLN A 53 -8.681 -9.162 -1.153 1.00 0.00 C ATOM 794 CD GLN A 53 -10.202 -9.144 -1.085 1.00 0.00 C ATOM 795 OE1 GLN A 53 -10.790 -9.691 -0.156 1.00 0.00 O ATOM 796 NE2 GLN A 53 -10.837 -8.512 -2.075 1.00 0.00 N ATOM 0 H GLN A 53 -6.845 -6.874 1.737 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.519 -8.036 1.171 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.483 -7.034 -0.845 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.008 -7.935 -0.554 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.359 -9.154 -2.194 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.304 -10.084 -0.710 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.303 -8.073 -2.825 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.856 -8.468 -2.081 1.00 0.00 H new ATOM 805 N VAL A 54 -8.625 -10.440 1.442 1.00 0.00 N ATOM 806 CA VAL A 54 -8.227 -11.732 1.963 1.00 0.00 C ATOM 807 C VAL A 54 -8.036 -12.713 0.815 1.00 0.00 C ATOM 808 O VAL A 54 -8.956 -12.946 0.036 1.00 0.00 O ATOM 809 CB VAL A 54 -9.288 -12.237 2.935 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.644 -12.272 2.236 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.921 -13.643 3.403 1.00 0.00 C ATOM 0 H VAL A 54 -9.489 -10.454 0.900 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.281 -11.638 2.496 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.340 -11.569 3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.402 -12.633 2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.907 -11.269 1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.593 -12.940 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.679 -14.005 4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.869 -14.311 2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.953 -13.619 3.903 1.00 0.00 H new ATOM 821 N VAL A 55 -6.835 -13.288 0.712 1.00 0.00 N ATOM 822 CA VAL A 55 -6.529 -14.239 -0.337 1.00 0.00 C ATOM 823 C VAL A 55 -5.413 -15.168 0.119 1.00 0.00 C ATOM 824 O VAL A 55 -5.564 -15.886 1.105 1.00 0.00 O ATOM 825 CB VAL A 55 -6.125 -13.487 -1.602 1.00 0.00 C ATOM 826 CG1 VAL A 55 -7.331 -12.734 -2.153 1.00 0.00 C ATOM 827 CG2 VAL A 55 -5.014 -12.495 -1.270 1.00 0.00 C ATOM 0 H VAL A 55 -6.061 -13.104 1.350 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.410 -14.842 -0.555 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.768 -14.196 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.043 -12.197 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.125 -13.442 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.688 -12.024 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.725 -11.957 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.371 -11.785 -0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.152 -13.033 -0.876 1.00 0.00 H new ATOM 837 N ALA A 56 -4.289 -15.152 -0.603 1.00 0.00 N ATOM 838 CA ALA A 56 -3.155 -15.991 -0.269 1.00 0.00 C ATOM 839 C ALA A 56 -2.371 -15.367 0.876 1.00 0.00 C ATOM 840 O ALA A 56 -1.210 -15.707 1.095 1.00 0.00 O ATOM 841 CB ALA A 56 -2.271 -16.162 -1.501 1.00 0.00 C ATOM 0 H ALA A 56 -4.149 -14.562 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.505 -16.973 0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.418 -16.793 -1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.847 -16.629 -2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.916 -15.186 -1.833 1.00 0.00 H new ATOM 847 N GLY A 57 -3.010 -14.452 1.609 1.00 0.00 N ATOM 848 CA GLY A 57 -2.367 -13.789 2.726 1.00 0.00 C ATOM 849 C GLY A 57 -3.209 -12.610 3.195 1.00 0.00 C ATOM 850 O GLY A 57 -4.427 -12.721 3.316 1.00 0.00 O ATOM 0 H GLY A 57 -3.973 -14.159 1.442 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.228 -14.494 3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.376 -13.443 2.431 1.00 0.00 H new ATOM 854 N THR A 58 -2.554 -11.477 3.460 1.00 0.00 N ATOM 855 CA THR A 58 -3.245 -10.288 3.913 1.00 0.00 C ATOM 856 C THR A 58 -2.886 -9.107 3.020 1.00 0.00 C ATOM 857 O THR A 58 -1.784 -8.567 3.115 1.00 0.00 O ATOM 858 CB THR A 58 -2.866 -10.002 5.363 1.00 0.00 C ATOM 859 OG1 THR A 58 -3.192 -11.118 6.162 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.634 -8.780 5.859 1.00 0.00 C ATOM 0 H THR A 58 -1.544 -11.367 3.366 1.00 0.00 H new ATOM 0 HA THR A 58 -4.322 -10.446 3.855 1.00 0.00 H new ATOM 0 HB THR A 58 -1.795 -9.808 5.427 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.947 -10.936 7.093 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.363 -8.576 6.895 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.383 -7.917 5.242 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.705 -8.973 5.795 1.00 0.00 H new ATOM 868 N LEU A 59 -3.819 -8.712 2.155 1.00 0.00 N ATOM 869 CA LEU A 59 -3.604 -7.599 1.229 1.00 0.00 C ATOM 870 C LEU A 59 -4.246 -6.304 1.732 1.00 0.00 C ATOM 871 O LEU A 59 -5.302 -6.322 2.361 1.00 0.00 O ATOM 872 CB LEU A 59 -4.166 -7.960 -0.148 1.00 0.00 C ATOM 873 CG LEU A 59 -3.434 -7.305 -1.339 1.00 0.00 C ATOM 874 CD1 LEU A 59 -3.684 -5.801 -1.383 1.00 0.00 C ATOM 875 CD2 LEU A 59 -1.937 -7.587 -1.280 1.00 0.00 C ATOM 0 H LEU A 59 -4.737 -9.149 2.076 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.530 -7.426 1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.128 -9.043 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.217 -7.672 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.836 -7.745 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.155 -5.369 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.753 -5.613 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.323 -5.345 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.444 -7.115 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.527 -7.185 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.768 -8.663 -1.314 1.00 0.00 H new ATOM 887 N TYR A 60 -3.590 -5.177 1.447 1.00 0.00 N ATOM 888 CA TYR A 60 -4.083 -3.880 1.868 1.00 0.00 C ATOM 889 C TYR A 60 -3.881 -2.865 0.753 1.00 0.00 C ATOM 890 O TYR A 60 -2.775 -2.714 0.239 1.00 0.00 O ATOM 891 CB TYR A 60 -3.352 -3.447 3.135 1.00 0.00 C ATOM 892 CG TYR A 60 -3.657 -4.312 4.334 1.00 0.00 C ATOM 893 CD1 TYR A 60 -4.915 -4.242 4.945 1.00 0.00 C ATOM 894 CD2 TYR A 60 -2.683 -5.183 4.836 1.00 0.00 C ATOM 895 CE1 TYR A 60 -5.198 -5.044 6.057 1.00 0.00 C ATOM 896 CE2 TYR A 60 -2.966 -5.987 5.947 1.00 0.00 C ATOM 897 CZ TYR A 60 -4.225 -5.917 6.557 1.00 0.00 C ATOM 898 OH TYR A 60 -4.501 -6.699 7.640 1.00 0.00 O ATOM 0 H TYR A 60 -2.714 -5.145 0.925 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.150 -3.943 2.084 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.278 -3.464 2.949 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.619 -2.415 3.364 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.667 -3.570 4.559 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.712 -5.235 4.366 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.168 -4.989 6.529 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.215 -6.660 6.333 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.458 -6.908 7.657 1.00 0.00 H new ATOM 908 N TYR A 61 -4.955 -2.165 0.380 1.00 0.00 N ATOM 909 CA TYR A 61 -4.889 -1.170 -0.672 1.00 0.00 C ATOM 910 C TYR A 61 -4.797 0.221 -0.061 1.00 0.00 C ATOM 911 O TYR A 61 -5.816 0.848 0.222 1.00 0.00 O ATOM 912 CB TYR A 61 -6.124 -1.289 -1.561 1.00 0.00 C ATOM 913 CG TYR A 61 -6.488 -2.715 -1.899 1.00 0.00 C ATOM 914 CD1 TYR A 61 -6.774 -3.626 -0.875 1.00 0.00 C ATOM 915 CD2 TYR A 61 -6.539 -3.126 -3.236 1.00 0.00 C ATOM 916 CE1 TYR A 61 -7.111 -4.948 -1.189 1.00 0.00 C ATOM 917 CE2 TYR A 61 -6.876 -4.448 -3.549 1.00 0.00 C ATOM 918 CZ TYR A 61 -7.162 -5.359 -2.526 1.00 0.00 C ATOM 919 OH TYR A 61 -7.492 -6.647 -2.832 1.00 0.00 O ATOM 0 H TYR A 61 -5.879 -2.276 0.797 1.00 0.00 H new ATOM 0 HA TYR A 61 -4.001 -1.337 -1.281 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.969 -0.816 -1.061 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.951 -0.738 -2.485 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.735 -3.309 0.157 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.318 -2.423 -4.026 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -7.332 -5.651 -0.399 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.915 -4.765 -4.581 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.482 -6.765 -3.805 1.00 0.00 H new ATOM 929 N PHE A 62 -3.569 0.704 0.143 1.00 0.00 N ATOM 930 CA PHE A 62 -3.351 2.016 0.718 1.00 0.00 C ATOM 931 C PHE A 62 -3.525 3.084 -0.352 1.00 0.00 C ATOM 932 O PHE A 62 -3.042 2.931 -1.471 1.00 0.00 O ATOM 933 CB PHE A 62 -1.951 2.079 1.324 1.00 0.00 C ATOM 934 CG PHE A 62 -1.775 1.183 2.526 1.00 0.00 C ATOM 935 CD1 PHE A 62 -2.108 1.650 3.803 1.00 0.00 C ATOM 936 CD2 PHE A 62 -1.281 -0.117 2.365 1.00 0.00 C ATOM 937 CE1 PHE A 62 -1.946 0.818 4.918 1.00 0.00 C ATOM 938 CE2 PHE A 62 -1.119 -0.948 3.479 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.452 -0.481 4.755 1.00 0.00 C ATOM 0 H PHE A 62 -2.714 0.197 -0.085 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.082 2.198 1.506 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.221 1.801 0.563 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.734 3.108 1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.490 2.652 3.928 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.025 -0.479 1.380 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.202 1.179 5.903 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.737 -1.950 3.354 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.328 -1.123 5.614 1.00 0.00 H new ATOM 949 N THR A 63 -4.217 4.172 -0.005 1.00 0.00 N ATOM 950 CA THR A 63 -4.448 5.258 -0.936 1.00 0.00 C ATOM 951 C THR A 63 -3.946 6.565 -0.344 1.00 0.00 C ATOM 952 O THR A 63 -4.730 7.360 0.172 1.00 0.00 O ATOM 953 CB THR A 63 -5.938 5.345 -1.254 1.00 0.00 C ATOM 954 OG1 THR A 63 -6.387 4.103 -1.749 1.00 0.00 O ATOM 955 CG2 THR A 63 -6.170 6.425 -2.308 1.00 0.00 C ATOM 0 H THR A 63 -4.625 4.316 0.919 1.00 0.00 H new ATOM 0 HA THR A 63 -3.902 5.070 -1.860 1.00 0.00 H new ATOM 0 HB THR A 63 -6.489 5.596 -0.347 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.344 4.158 -1.952 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.234 6.488 -2.536 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.823 7.386 -1.927 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.619 6.173 -3.214 1.00 0.00 H new ATOM 963 N ILE A 64 -2.632 6.788 -0.418 1.00 0.00 N ATOM 964 CA ILE A 64 -2.028 7.996 0.108 1.00 0.00 C ATOM 965 C ILE A 64 -1.657 8.927 -1.038 1.00 0.00 C ATOM 966 O ILE A 64 -1.821 8.575 -2.204 1.00 0.00 O ATOM 967 CB ILE A 64 -0.795 7.632 0.930 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.409 7.486 0.006 1.00 0.00 C ATOM 969 CG2 ILE A 64 -1.041 6.313 1.658 1.00 0.00 C ATOM 970 CD1 ILE A 64 0.107 6.438 -1.062 1.00 0.00 C ATOM 0 H ILE A 64 -1.969 6.138 -0.841 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.739 8.511 0.754 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.599 8.419 1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.639 8.443 -0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.288 7.193 0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.161 6.052 2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.901 6.417 2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.237 5.526 0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.968 6.333 -1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.102 5.481 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.761 6.750 -1.643 1.00 0.00 H new ATOM 982 N GLU A 65 -1.156 10.119 -0.704 1.00 0.00 N ATOM 983 CA GLU A 65 -0.765 11.090 -1.707 1.00 0.00 C ATOM 984 C GLU A 65 0.650 11.579 -1.433 1.00 0.00 C ATOM 985 O GLU A 65 0.992 11.894 -0.295 1.00 0.00 O ATOM 986 CB GLU A 65 -1.752 12.254 -1.697 1.00 0.00 C ATOM 987 CG GLU A 65 -1.078 13.496 -2.273 1.00 0.00 C ATOM 988 CD GLU A 65 -2.080 14.629 -2.441 1.00 0.00 C ATOM 989 OE1 GLU A 65 -2.778 14.621 -3.478 1.00 0.00 O ATOM 990 OE2 GLU A 65 -2.130 15.482 -1.527 1.00 0.00 O ATOM 0 H GLU A 65 -1.015 10.427 0.258 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.780 10.625 -2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.635 12.001 -2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.090 12.449 -0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.270 13.815 -1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.628 13.257 -3.237 1.00 0.00 H new ATOM 997 N VAL A 66 1.473 11.642 -2.481 1.00 0.00 N ATOM 998 CA VAL A 66 2.845 12.092 -2.352 1.00 0.00 C ATOM 999 C VAL A 66 3.132 13.170 -3.386 1.00 0.00 C ATOM 1000 O VAL A 66 2.572 13.151 -4.480 1.00 0.00 O ATOM 1001 CB VAL A 66 3.787 10.905 -2.531 1.00 0.00 C ATOM 1002 CG1 VAL A 66 3.105 9.634 -2.035 1.00 0.00 C ATOM 1003 CG2 VAL A 66 4.137 10.753 -4.009 1.00 0.00 C ATOM 0 H VAL A 66 1.204 11.384 -3.430 1.00 0.00 H new ATOM 0 HA VAL A 66 3.002 12.517 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 66 4.698 11.074 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.778 8.786 -2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.855 9.743 -0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.193 9.463 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.810 9.905 -4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.226 10.584 -4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.625 11.661 -4.363 1.00 0.00 H new ATOM 1013 N LYS A 67 4.009 14.115 -3.038 1.00 0.00 N ATOM 1014 CA LYS A 67 4.365 15.195 -3.937 1.00 0.00 C ATOM 1015 C LYS A 67 5.532 14.771 -4.817 1.00 0.00 C ATOM 1016 O LYS A 67 6.648 14.596 -4.332 1.00 0.00 O ATOM 1017 CB LYS A 67 4.724 16.436 -3.124 1.00 0.00 C ATOM 1018 CG LYS A 67 5.967 16.152 -2.285 1.00 0.00 C ATOM 1019 CD LYS A 67 5.765 16.699 -0.875 1.00 0.00 C ATOM 1020 CE LYS A 67 6.540 18.005 -0.721 1.00 0.00 C ATOM 1021 NZ LYS A 67 5.656 19.167 -0.897 1.00 0.00 N ATOM 0 H LYS A 67 4.482 14.146 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 67 3.518 15.431 -4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.906 17.280 -3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.891 16.714 -2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.156 15.079 -2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.842 16.613 -2.744 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.705 16.868 -0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.107 15.972 -0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.004 18.043 0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.346 18.042 -1.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.207 20.042 -0.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.233 19.141 -1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.902 19.141 -0.181 1.00 0.00 H new ATOM 1035 N GLU A 68 5.272 14.609 -6.117 1.00 0.00 N ATOM 1036 CA GLU A 68 6.301 14.210 -7.056 1.00 0.00 C ATOM 1037 C GLU A 68 6.896 15.438 -7.729 1.00 0.00 C ATOM 1038 O GLU A 68 6.170 16.269 -8.270 1.00 0.00 O ATOM 1039 CB GLU A 68 5.702 13.263 -8.092 1.00 0.00 C ATOM 1040 CG GLU A 68 6.651 13.143 -9.280 1.00 0.00 C ATOM 1041 CD GLU A 68 6.010 12.350 -10.410 1.00 0.00 C ATOM 1042 OE1 GLU A 68 5.109 12.920 -11.064 1.00 0.00 O ATOM 1043 OE2 GLU A 68 6.432 11.189 -10.599 1.00 0.00 O ATOM 0 H GLU A 68 4.353 14.751 -6.535 1.00 0.00 H new ATOM 0 HA GLU A 68 7.099 13.692 -6.525 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.532 12.282 -7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.733 13.635 -8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.922 14.137 -9.636 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.574 12.655 -8.966 1.00 0.00 H new ATOM 1050 N GLY A 69 8.226 15.553 -7.693 1.00 0.00 N ATOM 1051 CA GLY A 69 8.910 16.678 -8.298 1.00 0.00 C ATOM 1052 C GLY A 69 8.274 17.986 -7.847 1.00 0.00 C ATOM 1053 O GLY A 69 8.318 18.328 -6.668 1.00 0.00 O ATOM 0 H GLY A 69 8.844 14.874 -7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.964 16.663 -8.021 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.865 16.599 -9.384 1.00 0.00 H new ATOM 1057 N ASP A 70 7.683 18.719 -8.793 1.00 0.00 N ATOM 1058 CA ASP A 70 7.043 19.984 -8.491 1.00 0.00 C ATOM 1059 C ASP A 70 5.531 19.817 -8.521 1.00 0.00 C ATOM 1060 O ASP A 70 4.814 20.708 -8.971 1.00 0.00 O ATOM 1061 CB ASP A 70 7.490 21.033 -9.505 1.00 0.00 C ATOM 1062 CG ASP A 70 9.002 21.003 -9.688 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.698 20.962 -8.651 1.00 0.00 O ATOM 1064 OD2 ASP A 70 9.432 21.021 -10.862 1.00 0.00 O ATOM 0 H ASP A 70 7.639 18.450 -9.776 1.00 0.00 H new ATOM 0 HA ASP A 70 7.333 20.314 -7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.000 20.852 -10.462 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.180 22.023 -9.171 1.00 0.00 H new ATOM 1069 N ALA A 71 5.046 18.670 -8.038 1.00 0.00 N ATOM 1070 CA ALA A 71 3.624 18.392 -8.013 1.00 0.00 C ATOM 1071 C ALA A 71 3.321 17.352 -6.943 1.00 0.00 C ATOM 1072 O ALA A 71 4.171 17.051 -6.108 1.00 0.00 O ATOM 1073 CB ALA A 71 3.178 17.901 -9.388 1.00 0.00 C ATOM 0 H ALA A 71 5.627 17.922 -7.660 1.00 0.00 H new ATOM 0 HA ALA A 71 3.075 19.302 -7.772 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.108 17.692 -9.370 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.385 18.669 -10.133 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.722 16.991 -9.643 1.00 0.00 H new ATOM 1079 N LYS A 72 2.105 16.801 -6.972 1.00 0.00 N ATOM 1080 CA LYS A 72 1.698 15.800 -6.006 1.00 0.00 C ATOM 1081 C LYS A 72 0.440 15.094 -6.493 1.00 0.00 C ATOM 1082 O LYS A 72 -0.446 15.721 -7.070 1.00 0.00 O ATOM 1083 CB LYS A 72 1.456 16.466 -4.656 1.00 0.00 C ATOM 1084 CG LYS A 72 0.372 17.530 -4.801 1.00 0.00 C ATOM 1085 CD LYS A 72 -0.860 17.116 -4.003 1.00 0.00 C ATOM 1086 CE LYS A 72 -2.073 17.900 -4.494 1.00 0.00 C ATOM 1087 NZ LYS A 72 -2.502 17.432 -5.821 1.00 0.00 N ATOM 0 H LYS A 72 1.390 17.038 -7.659 1.00 0.00 H new ATOM 0 HA LYS A 72 2.487 15.056 -5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.153 15.721 -3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.378 16.918 -4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.742 18.492 -4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.111 17.658 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.036 16.046 -4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.698 17.303 -2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.893 17.791 -3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.830 18.962 -4.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.598 18.246 -6.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.794 16.772 -6.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.418 16.947 -5.739 1.00 0.00 H new ATOM 1101 N LYS A 73 0.364 13.781 -6.257 1.00 0.00 N ATOM 1102 CA LYS A 73 -0.782 12.998 -6.671 1.00 0.00 C ATOM 1103 C LYS A 73 -0.992 11.839 -5.706 1.00 0.00 C ATOM 1104 O LYS A 73 -0.234 11.679 -4.749 1.00 0.00 O ATOM 1105 CB LYS A 73 -0.562 12.486 -8.091 1.00 0.00 C ATOM 1106 CG LYS A 73 0.181 13.543 -8.903 1.00 0.00 C ATOM 1107 CD LYS A 73 0.597 12.954 -10.248 1.00 0.00 C ATOM 1108 CE LYS A 73 -0.307 13.504 -11.347 1.00 0.00 C ATOM 1109 NZ LYS A 73 0.450 14.361 -12.273 1.00 0.00 N ATOM 0 H LYS A 73 1.089 13.246 -5.780 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.676 13.621 -6.658 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.011 11.559 -8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.520 12.259 -8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.457 14.413 -9.057 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.060 13.885 -8.357 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.637 13.203 -10.460 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.529 11.867 -10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.760 12.679 -11.897 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.121 14.075 -10.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.187 14.723 -13.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.861 15.160 -11.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.212 13.807 -12.714 1.00 0.00 H new ATOM 1123 N LEU A 74 -2.022 11.031 -5.960 1.00 0.00 N ATOM 1124 CA LEU A 74 -2.346 9.887 -5.109 1.00 0.00 C ATOM 1125 C LEU A 74 -1.767 8.581 -5.659 1.00 0.00 C ATOM 1126 O LEU A 74 -1.806 8.326 -6.860 1.00 0.00 O ATOM 1127 CB LEU A 74 -3.867 9.764 -4.969 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.341 8.692 -3.965 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -5.011 9.328 -2.751 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -5.289 7.704 -4.632 1.00 0.00 C ATOM 0 H LEU A 74 -2.650 11.150 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.895 10.061 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.269 10.730 -4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.290 9.537 -5.947 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.459 8.151 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.334 8.547 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.303 9.986 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.876 9.907 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.609 6.959 -3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.160 8.236 -5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.777 7.209 -5.457 1.00 0.00 H new ATOM 1142 N TYR A 75 -1.221 7.759 -4.760 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.629 6.494 -5.144 1.00 0.00 C ATOM 1144 C TYR A 75 -1.266 5.363 -4.348 1.00 0.00 C ATOM 1145 O TYR A 75 -1.502 5.499 -3.150 1.00 0.00 O ATOM 1146 CB TYR A 75 0.876 6.544 -4.902 1.00 0.00 C ATOM 1147 CG TYR A 75 1.595 7.541 -5.778 1.00 0.00 C ATOM 1148 CD1 TYR A 75 1.210 8.886 -5.770 1.00 0.00 C ATOM 1149 CD2 TYR A 75 2.649 7.119 -6.599 1.00 0.00 C ATOM 1150 CE1 TYR A 75 1.876 9.810 -6.583 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.316 8.044 -7.412 1.00 0.00 C ATOM 1152 CZ TYR A 75 2.929 9.390 -7.403 1.00 0.00 C ATOM 1153 OH TYR A 75 3.579 10.291 -8.195 1.00 0.00 O ATOM 0 H TYR A 75 -1.181 7.956 -3.760 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.808 6.311 -6.204 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.060 6.792 -3.857 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.296 5.553 -5.073 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.398 9.211 -5.136 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.947 6.081 -6.605 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.577 10.848 -6.577 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.128 7.720 -8.046 1.00 0.00 H new ATOM 0 HH TYR A 75 4.284 9.834 -8.699 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.546 4.243 -5.020 1.00 0.00 N ATOM 1164 CA GLU A 76 -2.152 3.097 -4.372 1.00 0.00 C ATOM 1165 C GLU A 76 -1.071 2.153 -3.868 1.00 0.00 C ATOM 1166 O GLU A 76 -0.559 1.330 -4.624 1.00 0.00 O ATOM 1167 CB GLU A 76 -3.075 2.387 -5.358 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.644 3.402 -6.345 1.00 0.00 C ATOM 1169 CD GLU A 76 -5.065 3.032 -6.747 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -5.858 2.742 -5.826 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -5.331 3.044 -7.969 1.00 0.00 O ATOM 0 H GLU A 76 -1.359 4.114 -6.014 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.740 3.428 -3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.526 1.612 -5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.885 1.892 -4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.636 4.395 -5.896 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.011 3.447 -7.231 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.725 2.273 -2.584 1.00 0.00 N ATOM 1179 CA ALA A 77 0.292 1.433 -1.984 1.00 0.00 C ATOM 1180 C ALA A 77 -0.309 0.087 -1.605 1.00 0.00 C ATOM 1181 O ALA A 77 -1.151 0.009 -0.712 1.00 0.00 O ATOM 1182 CB ALA A 77 0.871 2.132 -0.758 1.00 0.00 C ATOM 0 H ALA A 77 -1.142 2.950 -1.944 1.00 0.00 H new ATOM 0 HA ALA A 77 1.096 1.261 -2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.636 1.500 -0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.314 3.082 -1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.077 2.314 -0.034 1.00 0.00 H new ATOM 1188 N LYS A 78 0.124 -0.976 -2.287 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.373 -2.310 -2.017 1.00 0.00 C ATOM 1190 C LYS A 78 0.714 -3.144 -1.354 1.00 0.00 C ATOM 1191 O LYS A 78 1.782 -3.345 -1.926 1.00 0.00 O ATOM 1192 CB LYS A 78 -0.828 -2.956 -3.323 1.00 0.00 C ATOM 1193 CG LYS A 78 -1.716 -1.980 -4.090 1.00 0.00 C ATOM 1194 CD LYS A 78 -2.794 -1.432 -3.159 1.00 0.00 C ATOM 1195 CE LYS A 78 -3.557 -0.315 -3.866 1.00 0.00 C ATOM 1196 NZ LYS A 78 -3.769 -0.637 -5.285 1.00 0.00 N ATOM 0 H LYS A 78 0.820 -0.929 -3.031 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.224 -2.253 -1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.037 -3.229 -3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.375 -3.876 -3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.116 -1.163 -4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.176 -2.482 -4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.479 -2.229 -2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.340 -1.054 -2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.519 -0.161 -3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.003 0.620 -3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.505 -0.015 -5.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.882 -0.495 -5.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.070 -1.629 -5.375 1.00 0.00 H new ATOM 1210 N VAL A 79 0.437 -3.630 -0.142 1.00 0.00 N ATOM 1211 CA VAL A 79 1.389 -4.438 0.594 1.00 0.00 C ATOM 1212 C VAL A 79 0.772 -5.791 0.920 1.00 0.00 C ATOM 1213 O VAL A 79 -0.439 -5.898 1.096 1.00 0.00 O ATOM 1214 CB VAL A 79 1.796 -3.707 1.871 1.00 0.00 C ATOM 1215 CG1 VAL A 79 2.780 -4.568 2.658 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.458 -2.381 1.507 1.00 0.00 C ATOM 0 H VAL A 79 -0.445 -3.472 0.345 1.00 0.00 H new ATOM 0 HA VAL A 79 2.279 -4.603 -0.013 1.00 0.00 H new ATOM 0 HB VAL A 79 0.912 -3.517 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.071 -4.047 3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.308 -5.516 2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.665 -4.757 2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.749 -1.858 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.342 -2.571 0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.756 -1.766 0.944 1.00 0.00 H new ATOM 1226 N TRP A 80 1.610 -6.827 1.001 1.00 0.00 N ATOM 1227 CA TRP A 80 1.141 -8.163 1.308 1.00 0.00 C ATOM 1228 C TRP A 80 1.923 -8.730 2.484 1.00 0.00 C ATOM 1229 O TRP A 80 3.046 -9.201 2.318 1.00 0.00 O ATOM 1230 CB TRP A 80 1.297 -9.050 0.076 1.00 0.00 C ATOM 1231 CG TRP A 80 0.321 -10.180 -0.015 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.881 -10.224 0.600 1.00 0.00 C ATOM 1233 CD2 TRP A 80 0.438 -11.435 -0.751 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -1.512 -11.412 0.296 1.00 0.00 N ATOM 1235 CE2 TRP A 80 -0.741 -12.198 -0.535 1.00 0.00 C ATOM 1236 CE3 TRP A 80 1.420 -12.007 -1.580 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 -0.936 -13.459 -1.108 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 1.234 -13.271 -2.159 1.00 0.00 C ATOM 1239 CH2 TRP A 80 0.060 -13.997 -1.926 1.00 0.00 C ATOM 0 H TRP A 80 2.617 -6.757 0.856 1.00 0.00 H new ATOM 0 HA TRP A 80 0.087 -8.127 1.584 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.197 -8.430 -0.815 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.307 -9.460 0.067 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -1.286 -9.448 1.233 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -2.434 -11.677 0.643 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.333 -11.464 -1.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -1.846 -14.010 -0.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.004 -13.688 -2.791 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -0.075 -14.969 -2.377 1.00 0.00 H new ATOM 1250 N GLU A 81 1.324 -8.685 3.676 1.00 0.00 N ATOM 1251 CA GLU A 81 1.965 -9.194 4.871 1.00 0.00 C ATOM 1252 C GLU A 81 1.232 -10.432 5.367 1.00 0.00 C ATOM 1253 O GLU A 81 0.064 -10.638 5.043 1.00 0.00 O ATOM 1254 CB GLU A 81 1.979 -8.107 5.942 1.00 0.00 C ATOM 1255 CG GLU A 81 0.624 -7.406 5.972 1.00 0.00 C ATOM 1256 CD GLU A 81 -0.253 -7.964 7.083 1.00 0.00 C ATOM 1257 OE1 GLU A 81 -0.501 -9.188 7.048 1.00 0.00 O ATOM 1258 OE2 GLU A 81 -0.658 -7.156 7.947 1.00 0.00 O ATOM 0 H GLU A 81 0.393 -8.298 3.830 1.00 0.00 H new ATOM 0 HA GLU A 81 2.993 -9.475 4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.196 -8.544 6.917 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.769 -7.386 5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.767 -6.336 6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.124 -7.531 5.011 1.00 0.00 H new ATOM 1265 N LYS A 82 1.920 -11.257 6.160 1.00 0.00 N ATOM 1266 CA LYS A 82 1.333 -12.467 6.697 1.00 0.00 C ATOM 1267 C LYS A 82 1.586 -12.545 8.196 1.00 0.00 C ATOM 1268 O LYS A 82 2.733 -12.626 8.631 1.00 0.00 O ATOM 1269 CB LYS A 82 1.925 -13.679 5.984 1.00 0.00 C ATOM 1270 CG LYS A 82 2.318 -13.291 4.562 1.00 0.00 C ATOM 1271 CD LYS A 82 1.066 -12.939 3.765 1.00 0.00 C ATOM 1272 CE LYS A 82 1.058 -13.722 2.456 1.00 0.00 C ATOM 1273 NZ LYS A 82 2.277 -13.457 1.676 1.00 0.00 N ATOM 0 H LYS A 82 2.888 -11.100 6.440 1.00 0.00 H new ATOM 0 HA LYS A 82 0.256 -12.456 6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.797 -14.044 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.200 -14.492 5.963 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.000 -12.441 4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.848 -14.114 4.082 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.174 -13.173 4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.041 -11.869 3.561 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.981 -14.789 2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.180 -13.449 1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.024 -13.293 0.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.755 -12.615 2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.915 -14.276 1.741 1.00 0.00 H new ATOM 1287 N PRO A 83 0.510 -12.521 8.985 1.00 0.00 N ATOM 1288 CA PRO A 83 0.557 -12.586 10.430 1.00 0.00 C ATOM 1289 C PRO A 83 0.931 -13.996 10.866 1.00 0.00 C ATOM 1290 O PRO A 83 1.805 -14.176 11.710 1.00 0.00 O ATOM 1291 CB PRO A 83 -0.857 -12.231 10.885 1.00 0.00 C ATOM 1292 CG PRO A 83 -1.720 -12.730 9.726 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.852 -12.426 8.507 1.00 0.00 C ATOM 0 HA PRO A 83 1.298 -11.912 10.860 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.116 -12.722 11.823 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.974 -11.159 11.044 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.938 -13.794 9.813 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.677 -12.211 9.681 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -1.038 -13.137 7.702 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -1.063 -11.433 8.110 1.00 0.00 H new ATOM 1301 N TRP A 84 0.265 -14.998 10.285 1.00 0.00 N ATOM 1302 CA TRP A 84 0.533 -16.382 10.618 1.00 0.00 C ATOM 1303 C TRP A 84 2.034 -16.634 10.617 1.00 0.00 C ATOM 1304 O TRP A 84 2.500 -17.637 11.153 1.00 0.00 O ATOM 1305 CB TRP A 84 -0.168 -17.291 9.612 1.00 0.00 C ATOM 1306 CG TRP A 84 0.419 -17.279 8.237 1.00 0.00 C ATOM 1307 CD1 TRP A 84 1.513 -17.971 7.850 1.00 0.00 C ATOM 1308 CD2 TRP A 84 -0.031 -16.552 7.053 1.00 0.00 C ATOM 1309 NE1 TRP A 84 1.768 -17.724 6.517 1.00 0.00 N ATOM 1310 CE2 TRP A 84 0.845 -16.852 5.976 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -1.091 -15.667 6.781 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 0.681 -16.308 4.700 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -1.264 -15.116 5.504 1.00 0.00 C ATOM 1314 CH2 TRP A 84 -0.383 -15.432 4.464 1.00 0.00 C ATOM 0 H TRP A 84 -0.463 -14.867 9.582 1.00 0.00 H new ATOM 0 HA TRP A 84 0.150 -16.600 11.615 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.147 -18.313 9.991 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.215 -16.997 9.547 1.00 0.00 H new ATOM 0 HD1 TRP A 84 2.098 -18.618 8.487 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.543 -18.135 5.996 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.782 -15.408 7.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.367 -16.561 3.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -2.086 -14.440 5.321 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.524 -15.001 3.484 1.00 0.00 H new ATOM 1325 N MET A 85 2.793 -15.717 10.012 1.00 0.00 N ATOM 1326 CA MET A 85 4.234 -15.845 9.944 1.00 0.00 C ATOM 1327 C MET A 85 4.881 -14.470 10.038 1.00 0.00 C ATOM 1328 O MET A 85 6.066 -14.316 9.748 1.00 0.00 O ATOM 1329 CB MET A 85 4.621 -16.535 8.639 1.00 0.00 C ATOM 1330 CG MET A 85 4.130 -15.703 7.458 1.00 0.00 C ATOM 1331 SD MET A 85 4.284 -16.535 5.858 1.00 0.00 S ATOM 1332 CE MET A 85 6.088 -16.581 5.728 1.00 0.00 C ATOM 0 H MET A 85 2.423 -14.879 9.564 1.00 0.00 H new ATOM 0 HA MET A 85 4.588 -16.449 10.780 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.703 -16.657 8.587 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.185 -17.533 8.600 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.085 -15.441 7.621 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.691 -14.769 7.426 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.372 -16.916 4.731 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.491 -15.584 5.905 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.489 -17.271 6.471 1.00 0.00 H new ATOM 1342 N ASP A 86 4.099 -13.469 10.445 1.00 0.00 N ATOM 1343 CA ASP A 86 4.595 -12.114 10.575 1.00 0.00 C ATOM 1344 C ASP A 86 5.561 -11.809 9.439 1.00 0.00 C ATOM 1345 O ASP A 86 6.775 -11.875 9.618 1.00 0.00 O ATOM 1346 CB ASP A 86 5.283 -11.953 11.927 1.00 0.00 C ATOM 1347 CG ASP A 86 4.437 -11.112 12.871 1.00 0.00 C ATOM 1348 OD1 ASP A 86 4.156 -9.952 12.500 1.00 0.00 O ATOM 1349 OD2 ASP A 86 4.087 -11.643 13.947 1.00 0.00 O ATOM 0 H ASP A 86 3.115 -13.581 10.690 1.00 0.00 H new ATOM 0 HA ASP A 86 3.764 -11.411 10.519 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.461 -12.934 12.368 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.257 -11.484 11.790 1.00 0.00 H new ATOM 1354 N PHE A 87 5.019 -11.474 8.266 1.00 0.00 N ATOM 1355 CA PHE A 87 5.835 -11.161 7.110 1.00 0.00 C ATOM 1356 C PHE A 87 5.192 -10.036 6.313 1.00 0.00 C ATOM 1357 O PHE A 87 4.043 -9.674 6.558 1.00 0.00 O ATOM 1358 CB PHE A 87 5.995 -12.412 6.249 1.00 0.00 C ATOM 1359 CG PHE A 87 6.317 -12.112 4.804 1.00 0.00 C ATOM 1360 CD1 PHE A 87 7.451 -11.357 4.482 1.00 0.00 C ATOM 1361 CD2 PHE A 87 5.482 -12.590 3.787 1.00 0.00 C ATOM 1362 CE1 PHE A 87 7.750 -11.080 3.142 1.00 0.00 C ATOM 1363 CE2 PHE A 87 5.781 -12.314 2.448 1.00 0.00 C ATOM 1364 CZ PHE A 87 6.916 -11.559 2.126 1.00 0.00 C ATOM 0 H PHE A 87 4.014 -11.415 8.100 1.00 0.00 H new ATOM 0 HA PHE A 87 6.821 -10.830 7.435 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.787 -13.033 6.668 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.075 -12.995 6.295 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.095 -10.988 5.267 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.607 -13.172 4.036 1.00 0.00 H new ATOM 0 HE1 PHE A 87 8.624 -10.497 2.893 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.137 -12.683 1.663 1.00 0.00 H new ATOM 0 HZ PHE A 87 7.147 -11.346 1.093 1.00 0.00 H new ATOM 1374 N LYS A 88 5.936 -9.480 5.354 1.00 0.00 N ATOM 1375 CA LYS A 88 5.436 -8.400 4.527 1.00 0.00 C ATOM 1376 C LYS A 88 6.371 -8.175 3.347 1.00 0.00 C ATOM 1377 O LYS A 88 7.570 -8.424 3.445 1.00 0.00 O ATOM 1378 CB LYS A 88 5.312 -7.133 5.368 1.00 0.00 C ATOM 1379 CG LYS A 88 6.690 -6.723 5.876 1.00 0.00 C ATOM 1380 CD LYS A 88 6.764 -5.201 5.978 1.00 0.00 C ATOM 1381 CE LYS A 88 7.924 -4.808 6.888 1.00 0.00 C ATOM 1382 NZ LYS A 88 7.700 -3.482 7.484 1.00 0.00 N ATOM 0 H LYS A 88 6.890 -9.768 5.137 1.00 0.00 H new ATOM 0 HA LYS A 88 4.452 -8.661 4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.878 -6.330 4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.640 -7.306 6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.878 -7.173 6.851 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.462 -7.091 5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.901 -4.766 4.988 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.828 -4.806 6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.039 -5.551 7.677 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.853 -4.802 6.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.503 -3.238 8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.613 -2.772 6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.825 -3.498 8.047 1.00 0.00 H new ATOM 1396 N GLU A 89 5.818 -7.702 2.229 1.00 0.00 N ATOM 1397 CA GLU A 89 6.604 -7.445 1.039 1.00 0.00 C ATOM 1398 C GLU A 89 5.884 -6.442 0.147 1.00 0.00 C ATOM 1399 O GLU A 89 4.769 -6.702 -0.308 1.00 0.00 O ATOM 1400 CB GLU A 89 6.842 -8.756 0.296 1.00 0.00 C ATOM 1401 CG GLU A 89 7.802 -8.515 -0.866 1.00 0.00 C ATOM 1402 CD GLU A 89 8.549 -9.791 -1.227 1.00 0.00 C ATOM 1403 OE1 GLU A 89 7.987 -10.571 -2.026 1.00 0.00 O ATOM 1404 OE2 GLU A 89 9.668 -9.962 -0.697 1.00 0.00 O ATOM 0 H GLU A 89 4.825 -7.491 2.131 1.00 0.00 H new ATOM 0 HA GLU A 89 7.568 -7.021 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.256 -9.501 0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.897 -9.153 -0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.247 -8.156 -1.733 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.515 -7.735 -0.598 1.00 0.00 H new ATOM 1411 N LEU A 90 6.524 -5.300 -0.102 1.00 0.00 N ATOM 1412 CA LEU A 90 5.945 -4.246 -0.934 1.00 0.00 C ATOM 1413 C LEU A 90 5.746 -4.701 -2.381 1.00 0.00 C ATOM 1414 O LEU A 90 6.670 -5.195 -3.024 1.00 0.00 O ATOM 1415 CB LEU A 90 6.846 -3.008 -0.896 1.00 0.00 C ATOM 1416 CG LEU A 90 6.197 -1.717 -1.438 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.457 -1.976 -2.747 1.00 0.00 C ATOM 1418 CD2 LEU A 90 5.248 -1.111 -0.410 1.00 0.00 C ATOM 0 H LEU A 90 7.451 -5.080 0.264 1.00 0.00 H new ATOM 0 HA LEU A 90 4.962 -4.005 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.159 -2.836 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.747 -3.214 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 90 6.999 -1.006 -1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.011 -1.047 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.158 -2.351 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.673 -2.715 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.804 -0.202 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.460 -1.827 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.801 -0.870 0.498 1.00 0.00 H new ATOM 1430 N GLN A 91 4.521 -4.533 -2.884 1.00 0.00 N ATOM 1431 CA GLN A 91 4.191 -4.926 -4.240 1.00 0.00 C ATOM 1432 C GLN A 91 4.236 -3.711 -5.156 1.00 0.00 C ATOM 1433 O GLN A 91 4.646 -3.815 -6.310 1.00 0.00 O ATOM 1434 CB GLN A 91 2.806 -5.566 -4.260 1.00 0.00 C ATOM 1435 CG GLN A 91 2.869 -6.937 -3.590 1.00 0.00 C ATOM 1436 CD GLN A 91 2.814 -8.050 -4.626 1.00 0.00 C ATOM 1437 OE1 GLN A 91 3.146 -7.834 -5.790 1.00 0.00 O ATOM 1438 NE2 GLN A 91 2.393 -9.243 -4.201 1.00 0.00 N ATOM 0 H GLN A 91 3.744 -4.125 -2.364 1.00 0.00 H new ATOM 0 HA GLN A 91 4.919 -5.653 -4.599 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.091 -4.928 -3.740 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.455 -5.667 -5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.787 -7.021 -3.009 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.039 -7.043 -2.891 1.00 0.00 H new ATOM 0 HE21 GLN A 91 2.128 -9.372 -3.224 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.336 -10.026 -4.853 1.00 0.00 H new ATOM 1447 N GLU A 92 3.814 -2.555 -4.637 1.00 0.00 N ATOM 1448 CA GLU A 92 3.811 -1.330 -5.410 1.00 0.00 C ATOM 1449 C GLU A 92 3.016 -0.257 -4.678 1.00 0.00 C ATOM 1450 O GLU A 92 2.300 -0.551 -3.724 1.00 0.00 O ATOM 1451 CB GLU A 92 3.213 -1.600 -6.788 1.00 0.00 C ATOM 1452 CG GLU A 92 4.285 -1.403 -7.855 1.00 0.00 C ATOM 1453 CD GLU A 92 3.989 -2.251 -9.085 1.00 0.00 C ATOM 1454 OE1 GLU A 92 2.812 -2.251 -9.505 1.00 0.00 O ATOM 1455 OE2 GLU A 92 4.947 -2.883 -9.582 1.00 0.00 O ATOM 0 H GLU A 92 3.471 -2.451 -3.682 1.00 0.00 H new ATOM 0 HA GLU A 92 4.833 -0.973 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.822 -2.616 -6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.375 -0.927 -6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.335 -0.351 -8.137 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.261 -1.671 -7.450 1.00 0.00 H new ATOM 1462 N PHE A 93 3.145 0.993 -5.130 1.00 0.00 N ATOM 1463 CA PHE A 93 2.440 2.102 -4.519 1.00 0.00 C ATOM 1464 C PHE A 93 2.370 3.269 -5.492 1.00 0.00 C ATOM 1465 O PHE A 93 3.176 4.195 -5.415 1.00 0.00 O ATOM 1466 CB PHE A 93 3.154 2.509 -3.233 1.00 0.00 C ATOM 1467 CG PHE A 93 4.214 3.564 -3.441 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.349 3.275 -4.206 1.00 0.00 C ATOM 1469 CD2 PHE A 93 4.059 4.834 -2.870 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.331 4.254 -4.400 1.00 0.00 C ATOM 1471 CE2 PHE A 93 5.040 5.812 -3.064 1.00 0.00 C ATOM 1472 CZ PHE A 93 6.176 5.523 -3.829 1.00 0.00 C ATOM 0 H PHE A 93 3.735 1.254 -5.920 1.00 0.00 H new ATOM 0 HA PHE A 93 1.422 1.801 -4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.418 2.880 -2.520 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.613 1.627 -2.787 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.468 2.296 -4.647 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.182 5.058 -2.280 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.208 4.030 -4.990 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.921 6.791 -2.623 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.933 6.279 -3.979 1.00 0.00 H new ATOM 1482 N LYS A 94 1.404 3.226 -6.412 1.00 0.00 N ATOM 1483 CA LYS A 94 1.235 4.278 -7.394 1.00 0.00 C ATOM 1484 C LYS A 94 -0.173 4.231 -7.967 1.00 0.00 C ATOM 1485 O LYS A 94 -0.886 3.246 -7.790 1.00 0.00 O ATOM 1486 CB LYS A 94 2.274 4.113 -8.498 1.00 0.00 C ATOM 1487 CG LYS A 94 2.572 2.629 -8.699 1.00 0.00 C ATOM 1488 CD LYS A 94 3.187 2.415 -10.079 1.00 0.00 C ATOM 1489 CE LYS A 94 4.656 2.030 -9.926 1.00 0.00 C ATOM 1490 NZ LYS A 94 5.503 3.225 -9.787 1.00 0.00 N ATOM 0 H LYS A 94 0.728 2.466 -6.490 1.00 0.00 H new ATOM 0 HA LYS A 94 1.378 5.249 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.906 4.550 -9.426 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.188 4.646 -8.235 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.255 2.277 -7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.655 2.047 -8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.648 1.632 -10.612 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.098 3.324 -10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.779 1.390 -9.053 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.976 1.452 -10.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.497 2.936 -9.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.402 3.823 -10.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.210 3.762 -8.946 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.574 5.301 -8.656 1.00 0.00 N ATOM 1505 CA PRO A 95 -1.876 5.434 -9.274 1.00 0.00 C ATOM 1506 C PRO A 95 -1.956 4.530 -10.496 1.00 0.00 C ATOM 1507 O PRO A 95 -2.957 4.536 -11.210 1.00 0.00 O ATOM 1508 CB PRO A 95 -1.971 6.905 -9.675 1.00 0.00 C ATOM 1509 CG PRO A 95 -0.514 7.277 -9.945 1.00 0.00 C ATOM 1510 CD PRO A 95 0.238 6.477 -8.884 1.00 0.00 C ATOM 0 HA PRO A 95 -2.692 5.146 -8.611 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.594 7.044 -10.558 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.403 7.514 -8.881 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.206 7.002 -10.954 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.344 8.349 -9.841 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.236 6.207 -9.228 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.362 7.055 -7.968 1.00 0.00 H new ATOM 1518 N VAL A 96 -0.898 3.752 -10.735 1.00 0.00 N ATOM 1519 CA VAL A 96 -0.853 2.849 -11.867 1.00 0.00 C ATOM 1520 C VAL A 96 -1.051 3.631 -13.158 1.00 0.00 C ATOM 1521 O VAL A 96 -2.157 3.687 -13.688 1.00 0.00 O ATOM 1522 CB VAL A 96 -1.932 1.783 -11.710 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -2.006 0.941 -12.980 1.00 0.00 C ATOM 1524 CG2 VAL A 96 -1.590 0.885 -10.524 1.00 0.00 C ATOM 0 H VAL A 96 -0.062 3.736 -10.152 1.00 0.00 H new ATOM 0 HA VAL A 96 0.120 2.359 -11.908 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.895 2.264 -11.537 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.777 0.179 -12.867 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.250 1.582 -13.828 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.044 0.460 -13.154 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.361 0.123 -10.411 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.627 0.405 -10.697 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.538 1.486 -9.616 1.00 0.00 H new ATOM 1534 N ASP A 97 0.026 4.238 -13.662 1.00 0.00 N ATOM 1535 CA ASP A 97 -0.035 5.012 -14.884 1.00 0.00 C ATOM 1536 C ASP A 97 -0.233 4.083 -16.074 1.00 0.00 C ATOM 1537 O ASP A 97 0.450 3.068 -16.192 1.00 0.00 O ATOM 1538 CB ASP A 97 1.251 5.820 -15.039 1.00 0.00 C ATOM 1539 CG ASP A 97 2.343 4.984 -15.690 1.00 0.00 C ATOM 1540 OD1 ASP A 97 2.270 4.817 -16.927 1.00 0.00 O ATOM 1541 OD2 ASP A 97 3.232 4.528 -14.938 1.00 0.00 O ATOM 0 H ASP A 97 0.951 4.202 -13.233 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.879 5.700 -14.840 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.058 6.707 -15.643 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.587 6.167 -14.062 1.00 0.00 H new ATOM 1546 N ALA A 98 -1.173 4.431 -16.956 1.00 0.00 N ATOM 1547 CA ALA A 98 -1.458 3.628 -18.127 1.00 0.00 C ATOM 1548 C ALA A 98 -2.450 4.356 -19.024 1.00 0.00 C ATOM 1549 O ALA A 98 -3.488 4.817 -18.557 1.00 0.00 O ATOM 1550 CB ALA A 98 -2.013 2.275 -17.693 1.00 0.00 C ATOM 0 H ALA A 98 -1.747 5.270 -16.872 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.540 3.465 -18.692 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.228 1.670 -18.574 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.278 1.763 -17.072 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.930 2.424 -17.123 1.00 0.00 H new ATOM 1556 N SER A 99 -2.125 4.459 -20.315 1.00 0.00 N ATOM 1557 CA SER A 99 -2.987 5.129 -21.267 1.00 0.00 C ATOM 1558 C SER A 99 -3.677 4.100 -22.152 1.00 0.00 C ATOM 1559 O SER A 99 -4.107 4.417 -23.258 1.00 0.00 O ATOM 1560 CB SER A 99 -2.160 6.097 -22.108 1.00 0.00 C ATOM 1561 OG SER A 99 -2.750 7.377 -22.067 1.00 0.00 O ATOM 0 H SER A 99 -1.266 4.083 -20.717 1.00 0.00 H new ATOM 0 HA SER A 99 -3.753 5.693 -20.735 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.139 6.143 -21.730 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.103 5.744 -23.138 1.00 0.00 H new ATOM 0 HG SER A 99 -2.218 8.000 -22.606 1.00 0.00 H new ATOM 1567 N ALA A 100 -3.783 2.864 -21.659 1.00 0.00 N ATOM 1568 CA ALA A 100 -4.419 1.796 -22.404 1.00 0.00 C ATOM 1569 C ALA A 100 -5.024 0.785 -21.440 1.00 0.00 C ATOM 1570 O ALA A 100 -5.067 1.021 -20.235 1.00 0.00 O ATOM 1571 CB ALA A 100 -3.391 1.129 -23.314 1.00 0.00 C ATOM 0 H ALA A 100 -3.432 2.586 -20.742 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.220 2.204 -23.021 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.869 0.325 -23.875 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.987 1.866 -24.008 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -2.582 0.719 -22.710 1.00 0.00 H new ATOM 1577 N ASN A 101 -5.491 -0.346 -21.975 1.00 0.00 N ATOM 1578 CA ASN A 101 -6.089 -1.385 -21.162 1.00 0.00 C ATOM 1579 C ASN A 101 -6.149 -2.689 -21.945 1.00 0.00 C ATOM 1580 O ASN A 101 -6.286 -2.678 -23.166 1.00 0.00 O ATOM 1581 CB ASN A 101 -7.486 -0.950 -20.730 1.00 0.00 C ATOM 1582 CG ASN A 101 -7.463 -0.358 -19.328 1.00 0.00 C ATOM 1583 OD1 ASN A 101 -7.757 0.821 -19.145 1.00 0.00 O ATOM 1584 ND2 ASN A 101 -7.114 -1.181 -18.336 1.00 0.00 N ATOM 0 H ASN A 101 -5.462 -0.557 -22.972 1.00 0.00 H new ATOM 0 HA ASN A 101 -5.480 -1.549 -20.273 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.875 -0.214 -21.433 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -8.162 -1.805 -20.757 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -7.083 -0.838 -17.376 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.878 -2.153 -18.538 1.00 0.00 H new ATOM 1591 N ALA A 102 -6.044 -3.815 -21.237 1.00 0.00 N ATOM 1592 CA ALA A 102 -6.086 -5.120 -21.866 1.00 0.00 C ATOM 1593 C ALA A 102 -4.863 -5.303 -22.754 1.00 0.00 C ATOM 1594 O ALA A 102 -4.606 -6.402 -23.240 1.00 0.00 O ATOM 1595 CB ALA A 102 -7.370 -5.251 -22.679 1.00 0.00 C ATOM 1596 OXT ALA A 102 -4.122 -4.352 -22.996 1.00 0.00 O ATOM 0 H ALA A 102 -5.929 -3.840 -20.224 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.075 -5.897 -21.102 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.402 -6.232 -23.152 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.231 -5.137 -22.020 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.395 -4.477 -23.446 1.00 0.00 H new TER 1602 ALA A 102