USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 773 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 ASN : amide:sc= -0.27 K(o=-0.5,f=-1.6) USER MOD Set 1.2: A 40 SER OG : rot 180:sc= -0.23 USER MOD Set 2.1: A 9 SER OG : rot 84:sc= 0.834 USER MOD Set 2.2: A 96 GLN :FLIP amide:sc= -0.99 F(o=-5.3,f=-0.16) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.269 K(o=-0.27,f=-0.94) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 47:sc= 0.597 USER MOD Single : A 24 ASN : amide:sc= -2.11! C(o=-2.1!,f=-6.1!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -174:sc= -1.14 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0647 USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0229) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -6.84! C(o=-8!,f=-6.8!) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.176 F(o=-2.4!,f=-0.18) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -1.38 F(o=-3,f=-1.4) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -93:sc= 1.08 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -170:sc= -0.499 USER MOD Single : A 102 SER OG : rot 11:sc= 0.882 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.918 -11.109 -7.949 1.00 0.00 N ATOM 2 CA GLY A 1 -24.644 -11.662 -7.522 1.00 0.00 C ATOM 3 C GLY A 1 -24.770 -12.338 -6.155 1.00 0.00 C ATOM 4 O GLY A 1 -25.029 -11.675 -5.152 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.806 -10.656 -8.879 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.622 -11.872 -8.018 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.239 -10.403 -7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.292 -12.385 -8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.898 -10.869 -7.472 1.00 0.00 H new ATOM 8 N SER A 2 -24.582 -13.649 -6.160 1.00 0.00 N ATOM 9 CA SER A 2 -24.672 -14.423 -4.933 1.00 0.00 C ATOM 10 C SER A 2 -23.671 -15.580 -4.969 1.00 0.00 C ATOM 11 O SER A 2 -23.283 -16.036 -6.043 1.00 0.00 O ATOM 12 CB SER A 2 -26.090 -14.954 -4.719 1.00 0.00 C ATOM 13 OG SER A 2 -26.274 -15.473 -3.405 1.00 0.00 O ATOM 0 H SER A 2 -24.368 -14.195 -6.994 1.00 0.00 H new ATOM 0 HA SER A 2 -24.429 -13.767 -4.097 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.807 -14.153 -4.896 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.298 -15.735 -5.450 1.00 0.00 H new ATOM 0 HG SER A 2 -27.193 -15.800 -3.308 1.00 0.00 H new ATOM 19 N SER A 3 -23.283 -16.021 -3.782 1.00 0.00 N ATOM 20 CA SER A 3 -22.335 -17.116 -3.664 1.00 0.00 C ATOM 21 C SER A 3 -20.966 -16.682 -4.192 1.00 0.00 C ATOM 22 O SER A 3 -20.843 -16.269 -5.344 1.00 0.00 O ATOM 23 CB SER A 3 -22.826 -18.353 -4.418 1.00 0.00 C ATOM 24 OG SER A 3 -22.615 -19.550 -3.675 1.00 0.00 O ATOM 0 H SER A 3 -23.608 -15.640 -2.893 1.00 0.00 H new ATOM 0 HA SER A 3 -22.245 -17.378 -2.610 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.888 -18.245 -4.638 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.308 -18.424 -5.374 1.00 0.00 H new ATOM 0 HG SER A 3 -22.943 -20.317 -4.190 1.00 0.00 H new ATOM 30 N GLY A 4 -19.971 -16.790 -3.323 1.00 0.00 N ATOM 31 CA GLY A 4 -18.616 -16.414 -3.687 1.00 0.00 C ATOM 32 C GLY A 4 -18.025 -15.438 -2.668 1.00 0.00 C ATOM 33 O GLY A 4 -18.558 -14.349 -2.464 1.00 0.00 O ATOM 0 H GLY A 4 -20.077 -17.133 -2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.991 -17.305 -3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.615 -15.957 -4.677 1.00 0.00 H new ATOM 37 N SER A 5 -16.931 -15.864 -2.054 1.00 0.00 N ATOM 38 CA SER A 5 -16.262 -15.042 -1.060 1.00 0.00 C ATOM 39 C SER A 5 -15.306 -14.065 -1.747 1.00 0.00 C ATOM 40 O SER A 5 -14.587 -14.441 -2.672 1.00 0.00 O ATOM 41 CB SER A 5 -15.503 -15.905 -0.051 1.00 0.00 C ATOM 42 OG SER A 5 -14.257 -16.363 -0.569 1.00 0.00 O ATOM 0 H SER A 5 -16.491 -16.768 -2.226 1.00 0.00 H new ATOM 0 HA SER A 5 -17.020 -14.478 -0.517 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.328 -15.330 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.117 -16.762 0.227 1.00 0.00 H new ATOM 0 HG SER A 5 -13.803 -16.909 0.106 1.00 0.00 H new ATOM 48 N SER A 6 -15.328 -12.829 -1.269 1.00 0.00 N ATOM 49 CA SER A 6 -14.473 -11.796 -1.826 1.00 0.00 C ATOM 50 C SER A 6 -14.757 -10.457 -1.143 1.00 0.00 C ATOM 51 O SER A 6 -15.831 -9.882 -1.317 1.00 0.00 O ATOM 52 CB SER A 6 -14.671 -11.672 -3.338 1.00 0.00 C ATOM 53 OG SER A 6 -13.431 -11.559 -4.032 1.00 0.00 O ATOM 0 H SER A 6 -15.925 -12.520 -0.502 1.00 0.00 H new ATOM 0 HA SER A 6 -13.436 -12.077 -1.644 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.214 -12.543 -3.705 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.287 -10.799 -3.552 1.00 0.00 H new ATOM 0 HG SER A 6 -13.600 -11.484 -4.994 1.00 0.00 H new ATOM 59 N GLY A 7 -13.776 -9.998 -0.380 1.00 0.00 N ATOM 60 CA GLY A 7 -13.907 -8.737 0.331 1.00 0.00 C ATOM 61 C GLY A 7 -14.063 -7.571 -0.647 1.00 0.00 C ATOM 62 O GLY A 7 -14.991 -7.553 -1.455 1.00 0.00 O ATOM 0 H GLY A 7 -12.887 -10.477 -0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.770 -8.778 0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.030 -8.576 0.958 1.00 0.00 H new ATOM 66 N LYS A 8 -13.142 -6.624 -0.541 1.00 0.00 N ATOM 67 CA LYS A 8 -13.166 -5.457 -1.406 1.00 0.00 C ATOM 68 C LYS A 8 -11.732 -4.984 -1.657 1.00 0.00 C ATOM 69 O LYS A 8 -10.863 -5.145 -0.802 1.00 0.00 O ATOM 70 CB LYS A 8 -14.076 -4.375 -0.821 1.00 0.00 C ATOM 71 CG LYS A 8 -15.477 -4.448 -1.433 1.00 0.00 C ATOM 72 CD LYS A 8 -16.545 -4.570 -0.344 1.00 0.00 C ATOM 73 CE LYS A 8 -17.948 -4.414 -0.933 1.00 0.00 C ATOM 74 NZ LYS A 8 -18.663 -3.295 -0.280 1.00 0.00 N ATOM 0 H LYS A 8 -12.375 -6.641 0.131 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.593 -5.711 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.141 -4.495 0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.644 -3.392 -1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.663 -3.556 -2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.540 -5.303 -2.106 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.459 -5.539 0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.380 -3.809 0.419 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.880 -4.233 -2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -18.509 -5.339 -0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.614 -3.203 -0.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.744 -3.483 0.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.135 -2.412 -0.428 1.00 0.00 H new ATOM 88 N SER A 9 -11.530 -4.411 -2.835 1.00 0.00 N ATOM 89 CA SER A 9 -10.217 -3.914 -3.209 1.00 0.00 C ATOM 90 C SER A 9 -10.318 -2.453 -3.654 1.00 0.00 C ATOM 91 O SER A 9 -10.964 -2.149 -4.655 1.00 0.00 O ATOM 92 CB SER A 9 -9.602 -4.766 -4.321 1.00 0.00 C ATOM 93 OG SER A 9 -10.083 -4.392 -5.609 1.00 0.00 O ATOM 0 H SER A 9 -12.253 -4.280 -3.542 1.00 0.00 H new ATOM 0 HA SER A 9 -9.566 -3.978 -2.337 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.517 -4.666 -4.296 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.829 -5.817 -4.140 1.00 0.00 H new ATOM 0 HG SER A 9 -9.559 -3.636 -5.947 1.00 0.00 H new ATOM 99 N LEU A 10 -9.668 -1.589 -2.888 1.00 0.00 N ATOM 100 CA LEU A 10 -9.677 -0.168 -3.191 1.00 0.00 C ATOM 101 C LEU A 10 -8.310 0.239 -3.744 1.00 0.00 C ATOM 102 O LEU A 10 -7.306 -0.418 -3.475 1.00 0.00 O ATOM 103 CB LEU A 10 -10.109 0.639 -1.965 1.00 0.00 C ATOM 104 CG LEU A 10 -11.207 0.013 -1.103 1.00 0.00 C ATOM 105 CD1 LEU A 10 -11.600 0.944 0.046 1.00 0.00 C ATOM 106 CD2 LEU A 10 -12.413 -0.385 -1.956 1.00 0.00 C ATOM 0 H LEU A 10 -9.132 -1.845 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.413 0.052 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.233 0.806 -1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.452 1.617 -2.301 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.812 -0.900 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.382 0.475 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.730 1.135 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.969 1.886 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.179 -0.827 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.817 0.499 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.103 -1.110 -2.708 1.00 0.00 H new ATOM 118 N THR A 11 -8.315 1.322 -4.509 1.00 0.00 N ATOM 119 CA THR A 11 -7.088 1.824 -5.102 1.00 0.00 C ATOM 120 C THR A 11 -6.648 3.114 -4.407 1.00 0.00 C ATOM 121 O THR A 11 -7.479 3.954 -4.066 1.00 0.00 O ATOM 122 CB THR A 11 -7.324 1.994 -6.604 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.187 0.912 -6.944 1.00 0.00 O ATOM 124 CG2 THR A 11 -6.061 1.736 -7.429 1.00 0.00 C ATOM 0 H THR A 11 -9.149 1.865 -4.731 1.00 0.00 H new ATOM 0 HA THR A 11 -6.266 1.121 -4.964 1.00 0.00 H new ATOM 0 HB THR A 11 -7.687 3.002 -6.802 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.393 0.946 -7.901 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.284 1.870 -8.487 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.282 2.438 -7.131 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.716 0.716 -7.257 1.00 0.00 H new ATOM 132 N LEU A 12 -5.342 3.231 -4.218 1.00 0.00 N ATOM 133 CA LEU A 12 -4.782 4.405 -3.569 1.00 0.00 C ATOM 134 C LEU A 12 -3.496 4.815 -4.290 1.00 0.00 C ATOM 135 O LEU A 12 -2.678 3.966 -4.639 1.00 0.00 O ATOM 136 CB LEU A 12 -4.593 4.151 -2.072 1.00 0.00 C ATOM 137 CG LEU A 12 -5.038 2.778 -1.563 1.00 0.00 C ATOM 138 CD1 LEU A 12 -3.856 1.808 -1.500 1.00 0.00 C ATOM 139 CD2 LEU A 12 -5.753 2.898 -0.217 1.00 0.00 C ATOM 0 H LEU A 12 -4.655 2.533 -4.503 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.472 5.246 -3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.538 4.281 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.141 4.916 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.756 2.366 -2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.199 0.840 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.429 1.690 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.097 2.202 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.059 1.908 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.078 3.340 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.633 3.531 -0.328 1.00 0.00 H new ATOM 151 N VAL A 13 -3.358 6.118 -4.490 1.00 0.00 N ATOM 152 CA VAL A 13 -2.186 6.651 -5.163 1.00 0.00 C ATOM 153 C VAL A 13 -1.213 7.206 -4.120 1.00 0.00 C ATOM 154 O VAL A 13 -1.540 8.149 -3.401 1.00 0.00 O ATOM 155 CB VAL A 13 -2.607 7.693 -6.201 1.00 0.00 C ATOM 156 CG1 VAL A 13 -1.432 8.596 -6.580 1.00 0.00 C ATOM 157 CG2 VAL A 13 -3.205 7.022 -7.440 1.00 0.00 C ATOM 0 H VAL A 13 -4.038 6.820 -4.198 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.666 5.862 -5.706 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.379 8.319 -5.753 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.759 9.327 -7.319 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.070 9.114 -5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.628 7.991 -6.999 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.496 7.785 -8.162 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.464 6.361 -7.889 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.082 6.442 -7.152 1.00 0.00 H new ATOM 167 N LEU A 14 -0.038 6.597 -4.071 1.00 0.00 N ATOM 168 CA LEU A 14 0.985 7.018 -3.129 1.00 0.00 C ATOM 169 C LEU A 14 2.134 7.680 -3.891 1.00 0.00 C ATOM 170 O LEU A 14 2.347 7.396 -5.069 1.00 0.00 O ATOM 171 CB LEU A 14 1.424 5.842 -2.254 1.00 0.00 C ATOM 172 CG LEU A 14 0.302 5.067 -1.559 1.00 0.00 C ATOM 173 CD1 LEU A 14 0.869 3.941 -0.692 1.00 0.00 C ATOM 174 CD2 LEU A 14 -0.600 6.008 -0.758 1.00 0.00 C ATOM 0 H LEU A 14 0.229 5.815 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 14 0.586 7.765 -2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.990 5.146 -2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.106 6.217 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.318 4.602 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.051 3.406 -0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.435 3.251 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.525 4.363 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.389 5.432 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.008 6.521 0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.046 6.742 -1.428 1.00 0.00 H new ATOM 186 N HIS A 15 2.845 8.549 -3.188 1.00 0.00 N ATOM 187 CA HIS A 15 3.968 9.253 -3.784 1.00 0.00 C ATOM 188 C HIS A 15 5.238 8.968 -2.981 1.00 0.00 C ATOM 189 O HIS A 15 5.221 8.162 -2.052 1.00 0.00 O ATOM 190 CB HIS A 15 3.667 10.749 -3.908 1.00 0.00 C ATOM 191 CG HIS A 15 2.630 11.082 -4.953 1.00 0.00 C ATOM 192 ND1 HIS A 15 2.950 11.662 -6.168 1.00 0.00 N ATOM 193 CD2 HIS A 15 1.277 10.911 -4.953 1.00 0.00 C ATOM 194 CE1 HIS A 15 1.832 11.829 -6.860 1.00 0.00 C ATOM 195 NE2 HIS A 15 0.796 11.363 -6.105 1.00 0.00 N ATOM 0 H HIS A 15 2.665 8.782 -2.211 1.00 0.00 H new ATOM 0 HA HIS A 15 4.133 8.889 -4.798 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.327 11.122 -2.942 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.591 11.276 -4.146 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.695 10.481 -4.151 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.755 12.259 -7.848 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.186 11.362 -6.380 1.00 0.00 H new ATOM 203 N ARG A 16 6.309 9.646 -3.367 1.00 0.00 N ATOM 204 CA ARG A 16 7.585 9.476 -2.694 1.00 0.00 C ATOM 205 C ARG A 16 8.132 10.832 -2.242 1.00 0.00 C ATOM 206 O ARG A 16 8.859 11.490 -2.984 1.00 0.00 O ATOM 207 CB ARG A 16 8.607 8.802 -3.612 1.00 0.00 C ATOM 208 CG ARG A 16 8.240 7.337 -3.858 1.00 0.00 C ATOM 209 CD ARG A 16 9.492 6.493 -4.108 1.00 0.00 C ATOM 210 NE ARG A 16 9.703 6.320 -5.562 1.00 0.00 N ATOM 211 CZ ARG A 16 10.299 7.227 -6.349 1.00 0.00 C ATOM 212 NH1 ARG A 16 10.745 8.377 -5.826 1.00 0.00 N ATOM 213 NH2 ARG A 16 10.447 6.984 -7.658 1.00 0.00 N ATOM 0 H ARG A 16 6.319 10.314 -4.138 1.00 0.00 H new ATOM 0 HA ARG A 16 7.419 8.839 -1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.654 9.334 -4.562 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.599 8.862 -3.164 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.698 6.945 -2.997 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.571 7.265 -4.716 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.361 6.975 -3.661 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.386 5.520 -3.629 1.00 0.00 H new ATOM 0 HE ARG A 16 9.374 5.456 -5.993 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.631 8.562 -4.829 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.199 9.067 -6.424 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.106 6.109 -8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.900 7.674 -8.257 1.00 0.00 H new ATOM 227 N ASP A 17 7.761 11.209 -1.028 1.00 0.00 N ATOM 228 CA ASP A 17 8.205 12.474 -0.468 1.00 0.00 C ATOM 229 C ASP A 17 9.608 12.303 0.118 1.00 0.00 C ATOM 230 O ASP A 17 9.774 12.257 1.336 1.00 0.00 O ATOM 231 CB ASP A 17 7.276 12.936 0.655 1.00 0.00 C ATOM 232 CG ASP A 17 7.846 14.034 1.556 1.00 0.00 C ATOM 233 OD1 ASP A 17 8.195 15.099 1.001 1.00 0.00 O ATOM 234 OD2 ASP A 17 7.919 13.785 2.778 1.00 0.00 O ATOM 0 H ASP A 17 7.157 10.660 -0.416 1.00 0.00 H new ATOM 0 HA ASP A 17 8.201 13.216 -1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.347 13.296 0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.022 12.075 1.273 1.00 0.00 H new ATOM 239 N SER A 18 10.582 12.213 -0.776 1.00 0.00 N ATOM 240 CA SER A 18 11.965 12.048 -0.362 1.00 0.00 C ATOM 241 C SER A 18 12.174 10.648 0.219 1.00 0.00 C ATOM 242 O SER A 18 12.235 10.479 1.435 1.00 0.00 O ATOM 243 CB SER A 18 12.364 13.112 0.663 1.00 0.00 C ATOM 244 OG SER A 18 13.493 13.869 0.235 1.00 0.00 O ATOM 0 H SER A 18 10.441 12.251 -1.785 1.00 0.00 H new ATOM 0 HA SER A 18 12.601 12.170 -1.239 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.522 13.783 0.836 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.589 12.632 1.615 1.00 0.00 H new ATOM 0 HG SER A 18 13.715 14.538 0.915 1.00 0.00 H new ATOM 250 N GLY A 19 12.278 9.680 -0.680 1.00 0.00 N ATOM 251 CA GLY A 19 12.478 8.300 -0.272 1.00 0.00 C ATOM 252 C GLY A 19 11.689 7.983 1.000 1.00 0.00 C ATOM 253 O GLY A 19 12.273 7.662 2.033 1.00 0.00 O ATOM 0 H GLY A 19 12.228 9.824 -1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.165 7.631 -1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.539 8.118 -0.101 1.00 0.00 H new ATOM 257 N SER A 20 10.373 8.084 0.881 1.00 0.00 N ATOM 258 CA SER A 20 9.497 7.812 2.008 1.00 0.00 C ATOM 259 C SER A 20 8.040 7.779 1.543 1.00 0.00 C ATOM 260 O SER A 20 7.439 8.824 1.299 1.00 0.00 O ATOM 261 CB SER A 20 9.678 8.857 3.111 1.00 0.00 C ATOM 262 OG SER A 20 10.548 8.400 4.143 1.00 0.00 O ATOM 0 H SER A 20 9.892 8.350 0.022 1.00 0.00 H new ATOM 0 HA SER A 20 9.762 6.838 2.420 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.079 9.774 2.679 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.706 9.104 3.539 1.00 0.00 H new ATOM 0 HG SER A 20 11.354 8.012 3.743 1.00 0.00 H new ATOM 268 N LEU A 21 7.515 6.568 1.433 1.00 0.00 N ATOM 269 CA LEU A 21 6.140 6.384 1.001 1.00 0.00 C ATOM 270 C LEU A 21 5.203 7.091 1.983 1.00 0.00 C ATOM 271 O LEU A 21 4.149 7.590 1.592 1.00 0.00 O ATOM 272 CB LEU A 21 5.830 4.898 0.816 1.00 0.00 C ATOM 273 CG LEU A 21 6.267 4.282 -0.514 1.00 0.00 C ATOM 274 CD1 LEU A 21 5.368 4.754 -1.659 1.00 0.00 C ATOM 275 CD2 LEU A 21 7.745 4.566 -0.790 1.00 0.00 C ATOM 0 H LEU A 21 8.017 5.704 1.636 1.00 0.00 H new ATOM 0 HA LEU A 21 5.983 6.842 0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.308 4.344 1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.755 4.755 0.924 1.00 0.00 H new ATOM 0 HG LEU A 21 6.155 3.200 -0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.701 4.301 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.338 4.458 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.424 5.839 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.030 4.117 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.907 5.643 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.353 4.140 0.009 1.00 0.00 H new ATOM 287 N GLY A 22 5.620 7.109 3.241 1.00 0.00 N ATOM 288 CA GLY A 22 4.832 7.746 4.282 1.00 0.00 C ATOM 289 C GLY A 22 4.109 6.703 5.137 1.00 0.00 C ATOM 290 O GLY A 22 3.044 6.976 5.687 1.00 0.00 O ATOM 0 H GLY A 22 6.494 6.692 3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.480 8.353 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.104 8.420 3.831 1.00 0.00 H new ATOM 294 N PHE A 23 4.719 5.529 5.223 1.00 0.00 N ATOM 295 CA PHE A 23 4.147 4.444 6.003 1.00 0.00 C ATOM 296 C PHE A 23 5.138 3.287 6.140 1.00 0.00 C ATOM 297 O PHE A 23 6.262 3.365 5.646 1.00 0.00 O ATOM 298 CB PHE A 23 2.910 3.955 5.247 1.00 0.00 C ATOM 299 CG PHE A 23 3.221 2.976 4.113 1.00 0.00 C ATOM 300 CD1 PHE A 23 4.131 3.308 3.159 1.00 0.00 C ATOM 301 CD2 PHE A 23 2.587 1.774 4.059 1.00 0.00 C ATOM 302 CE1 PHE A 23 4.420 2.400 2.106 1.00 0.00 C ATOM 303 CE2 PHE A 23 2.875 0.866 3.006 1.00 0.00 C ATOM 304 CZ PHE A 23 3.785 1.198 2.052 1.00 0.00 C ATOM 0 H PHE A 23 5.603 5.306 4.766 1.00 0.00 H new ATOM 0 HA PHE A 23 3.899 4.795 7.005 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.232 3.475 5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.384 4.816 4.836 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.634 4.263 3.202 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.864 1.510 4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.143 2.663 1.349 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.371 -0.088 2.963 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.004 0.507 1.251 1.00 0.00 H new ATOM 314 N ASN A 24 4.686 2.239 6.813 1.00 0.00 N ATOM 315 CA ASN A 24 5.518 1.067 7.021 1.00 0.00 C ATOM 316 C ASN A 24 4.784 -0.173 6.508 1.00 0.00 C ATOM 317 O ASN A 24 3.585 -0.121 6.236 1.00 0.00 O ATOM 318 CB ASN A 24 5.814 0.859 8.508 1.00 0.00 C ATOM 319 CG ASN A 24 6.725 1.964 9.046 1.00 0.00 C ATOM 320 OD1 ASN A 24 6.548 3.139 8.769 1.00 0.00 O ATOM 321 ND2 ASN A 24 7.707 1.524 9.827 1.00 0.00 N ATOM 0 H ASN A 24 3.753 2.178 7.221 1.00 0.00 H new ATOM 0 HA ASN A 24 6.454 1.219 6.484 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.880 0.847 9.070 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.287 -0.112 8.656 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.369 2.184 10.235 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.798 0.526 10.019 1.00 0.00 H new ATOM 328 N ILE A 25 5.533 -1.259 6.389 1.00 0.00 N ATOM 329 CA ILE A 25 4.968 -2.510 5.913 1.00 0.00 C ATOM 330 C ILE A 25 5.462 -3.657 6.797 1.00 0.00 C ATOM 331 O ILE A 25 6.557 -3.590 7.354 1.00 0.00 O ATOM 332 CB ILE A 25 5.274 -2.704 4.426 1.00 0.00 C ATOM 333 CG1 ILE A 25 6.671 -2.183 4.081 1.00 0.00 C ATOM 334 CG2 ILE A 25 4.192 -2.063 3.556 1.00 0.00 C ATOM 335 CD1 ILE A 25 7.300 -3.005 2.955 1.00 0.00 C ATOM 0 H ILE A 25 6.527 -1.299 6.614 1.00 0.00 H new ATOM 0 HA ILE A 25 3.881 -2.492 5.992 1.00 0.00 H new ATOM 0 HB ILE A 25 5.268 -3.773 4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.609 -1.137 3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.307 -2.224 4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.433 -2.215 2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.228 -2.522 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.142 -0.995 3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.292 -2.614 2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.383 -4.046 3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.674 -2.942 2.065 1.00 0.00 H new ATOM 347 N ILE A 26 4.630 -4.683 6.899 1.00 0.00 N ATOM 348 CA ILE A 26 4.968 -5.843 7.706 1.00 0.00 C ATOM 349 C ILE A 26 4.622 -7.116 6.932 1.00 0.00 C ATOM 350 O ILE A 26 3.917 -7.062 5.925 1.00 0.00 O ATOM 351 CB ILE A 26 4.296 -5.756 9.078 1.00 0.00 C ATOM 352 CG1 ILE A 26 2.931 -6.447 9.065 1.00 0.00 C ATOM 353 CG2 ILE A 26 4.199 -4.303 9.549 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.334 -6.509 10.472 1.00 0.00 C ATOM 0 H ILE A 26 3.723 -4.735 6.436 1.00 0.00 H new ATOM 0 HA ILE A 26 6.040 -5.870 7.903 1.00 0.00 H new ATOM 0 HB ILE A 26 4.918 -6.287 9.798 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.253 -5.909 8.402 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.034 -7.456 8.665 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.718 -4.269 10.526 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.199 -3.877 9.622 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.611 -3.727 8.834 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.364 -7.005 10.434 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.002 -7.069 11.126 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.210 -5.498 10.859 1.00 0.00 H new ATOM 366 N GLY A 27 5.132 -8.232 7.431 1.00 0.00 N ATOM 367 CA GLY A 27 4.886 -9.517 6.799 1.00 0.00 C ATOM 368 C GLY A 27 6.201 -10.227 6.469 1.00 0.00 C ATOM 369 O GLY A 27 6.353 -11.417 6.740 1.00 0.00 O ATOM 0 H GLY A 27 5.715 -8.273 8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.287 -10.143 7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.308 -9.373 5.886 1.00 0.00 H new ATOM 373 N GLY A 28 7.117 -9.466 5.888 1.00 0.00 N ATOM 374 CA GLY A 28 8.414 -10.008 5.518 1.00 0.00 C ATOM 375 C GLY A 28 9.100 -10.658 6.721 1.00 0.00 C ATOM 376 O GLY A 28 8.970 -10.181 7.848 1.00 0.00 O ATOM 0 H GLY A 28 6.987 -8.479 5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.291 -10.744 4.723 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.045 -9.213 5.121 1.00 0.00 H new ATOM 380 N ARG A 29 9.816 -11.737 6.442 1.00 0.00 N ATOM 381 CA ARG A 29 10.522 -12.458 7.487 1.00 0.00 C ATOM 382 C ARG A 29 11.539 -13.422 6.872 1.00 0.00 C ATOM 383 O ARG A 29 11.393 -13.833 5.722 1.00 0.00 O ATOM 384 CB ARG A 29 9.550 -13.246 8.367 1.00 0.00 C ATOM 385 CG ARG A 29 8.965 -14.438 7.607 1.00 0.00 C ATOM 386 CD ARG A 29 7.458 -14.554 7.844 1.00 0.00 C ATOM 387 NE ARG A 29 7.064 -15.979 7.913 1.00 0.00 N ATOM 388 CZ ARG A 29 5.796 -16.405 7.984 1.00 0.00 C ATOM 389 NH1 ARG A 29 4.791 -15.519 7.996 1.00 0.00 N ATOM 390 NH2 ARG A 29 5.533 -17.718 8.043 1.00 0.00 N ATOM 0 H ARG A 29 9.922 -12.130 5.507 1.00 0.00 H new ATOM 0 HA ARG A 29 11.039 -11.724 8.105 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.066 -13.598 9.260 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.744 -12.592 8.701 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.161 -14.326 6.541 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.459 -15.356 7.927 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.187 -14.048 8.771 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.916 -14.057 7.040 1.00 0.00 H new ATOM 0 HE ARG A 29 7.804 -16.681 7.906 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.991 -14.520 7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.826 -15.844 8.050 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.298 -18.392 8.034 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.568 -18.043 8.097 1.00 0.00 H new ATOM 404 N PRO A 30 12.573 -13.764 7.687 1.00 0.00 N ATOM 405 CA PRO A 30 13.613 -14.672 7.236 1.00 0.00 C ATOM 406 C PRO A 30 13.108 -16.117 7.213 1.00 0.00 C ATOM 407 O PRO A 30 13.452 -16.912 8.086 1.00 0.00 O ATOM 408 CB PRO A 30 14.766 -14.462 8.203 1.00 0.00 C ATOM 409 CG PRO A 30 14.166 -13.791 9.428 1.00 0.00 C ATOM 410 CD PRO A 30 12.777 -13.297 9.055 1.00 0.00 C ATOM 0 HA PRO A 30 13.929 -14.474 6.212 1.00 0.00 H new ATOM 0 HB2 PRO A 30 15.232 -15.411 8.467 1.00 0.00 H new ATOM 0 HB3 PRO A 30 15.541 -13.839 7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 30 14.111 -14.493 10.260 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.792 -12.960 9.753 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.020 -13.699 9.728 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.713 -12.211 9.116 1.00 0.00 H new ATOM 418 N SER A 31 12.301 -16.412 6.205 1.00 0.00 N ATOM 419 CA SER A 31 11.745 -17.746 6.057 1.00 0.00 C ATOM 420 C SER A 31 11.471 -18.038 4.580 1.00 0.00 C ATOM 421 O SER A 31 10.994 -17.170 3.850 1.00 0.00 O ATOM 422 CB SER A 31 10.462 -17.902 6.876 1.00 0.00 C ATOM 423 OG SER A 31 10.077 -19.268 7.009 1.00 0.00 O ATOM 0 H SER A 31 12.019 -15.750 5.482 1.00 0.00 H new ATOM 0 HA SER A 31 12.474 -18.464 6.434 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.608 -17.468 7.865 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.657 -17.343 6.399 1.00 0.00 H new ATOM 0 HG SER A 31 9.255 -19.326 7.539 1.00 0.00 H new ATOM 429 N VAL A 32 11.785 -19.263 4.184 1.00 0.00 N ATOM 430 CA VAL A 32 11.579 -19.680 2.807 1.00 0.00 C ATOM 431 C VAL A 32 10.707 -20.937 2.785 1.00 0.00 C ATOM 432 O VAL A 32 11.203 -22.036 2.543 1.00 0.00 O ATOM 433 CB VAL A 32 12.927 -19.875 2.112 1.00 0.00 C ATOM 434 CG1 VAL A 32 13.748 -18.584 2.135 1.00 0.00 C ATOM 435 CG2 VAL A 32 13.706 -21.031 2.741 1.00 0.00 C ATOM 0 H VAL A 32 12.180 -19.980 4.792 1.00 0.00 H new ATOM 0 HA VAL A 32 11.050 -18.908 2.249 1.00 0.00 H new ATOM 0 HB VAL A 32 12.733 -20.130 1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 32 14.702 -18.750 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.200 -17.795 1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.928 -18.285 3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 32 14.661 -21.148 2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 32 13.884 -20.819 3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.129 -21.951 2.649 1.00 0.00 H new ATOM 445 N ASP A 33 9.423 -20.733 3.041 1.00 0.00 N ATOM 446 CA ASP A 33 8.478 -21.836 3.053 1.00 0.00 C ATOM 447 C ASP A 33 7.085 -21.305 3.396 1.00 0.00 C ATOM 448 O ASP A 33 6.949 -20.376 4.191 1.00 0.00 O ATOM 449 CB ASP A 33 8.860 -22.877 4.108 1.00 0.00 C ATOM 450 CG ASP A 33 8.991 -24.309 3.585 1.00 0.00 C ATOM 451 OD1 ASP A 33 8.686 -24.507 2.389 1.00 0.00 O ATOM 452 OD2 ASP A 33 9.394 -25.173 4.394 1.00 0.00 O ATOM 0 H ASP A 33 9.015 -19.820 3.242 1.00 0.00 H new ATOM 0 HA ASP A 33 8.489 -22.300 2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.807 -22.583 4.560 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.111 -22.862 4.899 1.00 0.00 H new ATOM 457 N ASN A 34 6.085 -21.917 2.779 1.00 0.00 N ATOM 458 CA ASN A 34 4.707 -21.517 3.009 1.00 0.00 C ATOM 459 C ASN A 34 3.913 -22.716 3.533 1.00 0.00 C ATOM 460 O ASN A 34 3.289 -22.637 4.590 1.00 0.00 O ATOM 461 CB ASN A 34 4.047 -21.044 1.712 1.00 0.00 C ATOM 462 CG ASN A 34 2.591 -20.641 1.954 1.00 0.00 C ATOM 463 OD1 ASN A 34 2.153 -20.439 3.074 1.00 0.00 O ATOM 464 ND2 ASN A 34 1.867 -20.536 0.842 1.00 0.00 N ATOM 0 H ASN A 34 6.201 -22.687 2.120 1.00 0.00 H new ATOM 0 HA ASN A 34 4.709 -20.701 3.731 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.600 -20.197 1.306 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.089 -21.839 0.967 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.883 -20.272 0.897 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.296 -20.719 -0.065 1.00 0.00 H new ATOM 471 N HIS A 35 3.963 -23.798 2.770 1.00 0.00 N ATOM 472 CA HIS A 35 3.257 -25.011 3.144 1.00 0.00 C ATOM 473 C HIS A 35 3.636 -26.142 2.187 1.00 0.00 C ATOM 474 O HIS A 35 4.245 -27.130 2.596 1.00 0.00 O ATOM 475 CB HIS A 35 1.748 -24.765 3.203 1.00 0.00 C ATOM 476 CG HIS A 35 1.066 -25.408 4.387 1.00 0.00 C ATOM 477 ND1 HIS A 35 0.856 -26.773 4.481 1.00 0.00 N ATOM 478 CD2 HIS A 35 0.552 -24.860 5.525 1.00 0.00 C ATOM 479 CE1 HIS A 35 0.241 -27.023 5.627 1.00 0.00 C ATOM 480 NE2 HIS A 35 0.052 -25.837 6.273 1.00 0.00 N ATOM 0 H HIS A 35 4.482 -23.860 1.894 1.00 0.00 H new ATOM 0 HA HIS A 35 3.557 -25.315 4.147 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.566 -23.691 3.232 1.00 0.00 H new ATOM 0 HB3 HIS A 35 1.293 -25.141 2.287 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.552 -23.809 5.776 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.059 -27.996 5.987 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.399 -25.720 7.180 1.00 0.00 H new ATOM 488 N ASP A 36 3.261 -25.960 0.929 1.00 0.00 N ATOM 489 CA ASP A 36 3.555 -26.953 -0.091 1.00 0.00 C ATOM 490 C ASP A 36 3.769 -26.251 -1.433 1.00 0.00 C ATOM 491 O ASP A 36 2.809 -25.946 -2.139 1.00 0.00 O ATOM 492 CB ASP A 36 2.394 -27.937 -0.252 1.00 0.00 C ATOM 493 CG ASP A 36 2.518 -28.895 -1.438 1.00 0.00 C ATOM 494 OD1 ASP A 36 3.654 -29.032 -1.940 1.00 0.00 O ATOM 495 OD2 ASP A 36 1.474 -29.468 -1.816 1.00 0.00 O ATOM 0 H ASP A 36 2.756 -25.140 0.593 1.00 0.00 H new ATOM 0 HA ASP A 36 4.449 -27.496 0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.306 -28.524 0.662 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.469 -27.370 -0.357 1.00 0.00 H new ATOM 500 N GLY A 37 5.035 -26.015 -1.746 1.00 0.00 N ATOM 501 CA GLY A 37 5.388 -25.355 -2.991 1.00 0.00 C ATOM 502 C GLY A 37 6.516 -24.345 -2.776 1.00 0.00 C ATOM 503 O GLY A 37 7.690 -24.710 -2.781 1.00 0.00 O ATOM 0 H GLY A 37 5.829 -26.269 -1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.696 -26.099 -3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.514 -24.848 -3.398 1.00 0.00 H new ATOM 507 N SER A 38 6.120 -23.094 -2.591 1.00 0.00 N ATOM 508 CA SER A 38 7.083 -22.028 -2.374 1.00 0.00 C ATOM 509 C SER A 38 6.507 -20.991 -1.408 1.00 0.00 C ATOM 510 O SER A 38 5.293 -20.919 -1.220 1.00 0.00 O ATOM 511 CB SER A 38 7.476 -21.363 -3.695 1.00 0.00 C ATOM 512 OG SER A 38 8.882 -21.407 -3.917 1.00 0.00 O ATOM 0 H SER A 38 5.145 -22.795 -2.587 1.00 0.00 H new ATOM 0 HA SER A 38 7.982 -22.463 -1.936 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.963 -21.861 -4.518 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.142 -20.326 -3.692 1.00 0.00 H new ATOM 0 HG SER A 38 9.092 -20.974 -4.771 1.00 0.00 H new ATOM 518 N SER A 39 7.405 -20.212 -0.821 1.00 0.00 N ATOM 519 CA SER A 39 7.001 -19.182 0.120 1.00 0.00 C ATOM 520 C SER A 39 6.003 -18.230 -0.542 1.00 0.00 C ATOM 521 O SER A 39 6.106 -17.948 -1.735 1.00 0.00 O ATOM 522 CB SER A 39 8.212 -18.405 0.639 1.00 0.00 C ATOM 523 OG SER A 39 7.828 -17.285 1.432 1.00 0.00 O ATOM 0 H SER A 39 8.411 -20.274 -0.979 1.00 0.00 H new ATOM 0 HA SER A 39 6.522 -19.666 0.971 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.842 -19.069 1.231 1.00 0.00 H new ATOM 0 HB3 SER A 39 8.812 -18.063 -0.204 1.00 0.00 H new ATOM 0 HG SER A 39 8.623 -16.761 1.665 1.00 0.00 H new ATOM 529 N SER A 40 5.059 -17.761 0.261 1.00 0.00 N ATOM 530 CA SER A 40 4.043 -16.846 -0.232 1.00 0.00 C ATOM 531 C SER A 40 4.178 -15.490 0.464 1.00 0.00 C ATOM 532 O SER A 40 4.272 -14.457 -0.196 1.00 0.00 O ATOM 533 CB SER A 40 2.639 -17.416 -0.019 1.00 0.00 C ATOM 534 OG SER A 40 2.386 -17.712 1.351 1.00 0.00 O ATOM 0 H SER A 40 4.976 -17.997 1.250 1.00 0.00 H new ATOM 0 HA SER A 40 4.193 -16.713 -1.303 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.899 -16.701 -0.378 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.521 -18.322 -0.613 1.00 0.00 H new ATOM 0 HG SER A 40 1.480 -18.072 1.446 1.00 0.00 H new ATOM 540 N GLU A 41 4.182 -15.539 1.788 1.00 0.00 N ATOM 541 CA GLU A 41 4.303 -14.327 2.580 1.00 0.00 C ATOM 542 C GLU A 41 3.219 -13.322 2.183 1.00 0.00 C ATOM 543 O GLU A 41 2.497 -13.534 1.210 1.00 0.00 O ATOM 544 CB GLU A 41 5.697 -13.714 2.436 1.00 0.00 C ATOM 545 CG GLU A 41 6.595 -14.112 3.609 1.00 0.00 C ATOM 546 CD GLU A 41 7.336 -15.417 3.314 1.00 0.00 C ATOM 547 OE1 GLU A 41 6.755 -16.481 3.618 1.00 0.00 O ATOM 548 OE2 GLU A 41 8.468 -15.322 2.792 1.00 0.00 O ATOM 0 H GLU A 41 4.103 -16.398 2.332 1.00 0.00 H new ATOM 0 HA GLU A 41 4.163 -14.588 3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.148 -14.043 1.500 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.617 -12.628 2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.315 -13.318 3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.993 -14.227 4.510 1.00 0.00 H new ATOM 555 N GLY A 42 3.138 -12.251 2.958 1.00 0.00 N ATOM 556 CA GLY A 42 2.154 -11.213 2.700 1.00 0.00 C ATOM 557 C GLY A 42 2.692 -9.836 3.095 1.00 0.00 C ATOM 558 O GLY A 42 3.683 -9.737 3.816 1.00 0.00 O ATOM 0 H GLY A 42 3.738 -12.079 3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.888 -11.214 1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.242 -11.425 3.258 1.00 0.00 H new ATOM 562 N ILE A 43 2.015 -8.809 2.605 1.00 0.00 N ATOM 563 CA ILE A 43 2.412 -7.442 2.898 1.00 0.00 C ATOM 564 C ILE A 43 1.228 -6.690 3.508 1.00 0.00 C ATOM 565 O ILE A 43 0.137 -6.677 2.939 1.00 0.00 O ATOM 566 CB ILE A 43 2.988 -6.772 1.649 1.00 0.00 C ATOM 567 CG1 ILE A 43 4.019 -7.675 0.968 1.00 0.00 C ATOM 568 CG2 ILE A 43 3.564 -5.394 1.981 1.00 0.00 C ATOM 569 CD1 ILE A 43 5.142 -8.052 1.937 1.00 0.00 C ATOM 0 H ILE A 43 1.194 -8.895 2.007 1.00 0.00 H new ATOM 0 HA ILE A 43 3.213 -7.429 3.637 1.00 0.00 H new ATOM 0 HB ILE A 43 2.175 -6.618 0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.531 -8.578 0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.438 -7.165 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.967 -4.940 1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.777 -4.758 2.386 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.360 -5.500 2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.861 -8.694 1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.643 -7.148 2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.722 -8.583 2.791 1.00 0.00 H new ATOM 581 N PHE A 44 1.482 -6.083 4.657 1.00 0.00 N ATOM 582 CA PHE A 44 0.450 -5.331 5.350 1.00 0.00 C ATOM 583 C PHE A 44 1.003 -4.010 5.890 1.00 0.00 C ATOM 584 O PHE A 44 2.214 -3.853 6.035 1.00 0.00 O ATOM 585 CB PHE A 44 -0.019 -6.192 6.525 1.00 0.00 C ATOM 586 CG PHE A 44 -0.764 -7.461 6.108 1.00 0.00 C ATOM 587 CD1 PHE A 44 -0.086 -8.488 5.528 1.00 0.00 C ATOM 588 CD2 PHE A 44 -2.104 -7.563 6.316 1.00 0.00 C ATOM 589 CE1 PHE A 44 -0.777 -9.667 5.141 1.00 0.00 C ATOM 590 CE2 PHE A 44 -2.795 -8.741 5.929 1.00 0.00 C ATOM 591 CZ PHE A 44 -2.117 -9.768 5.350 1.00 0.00 C ATOM 0 H PHE A 44 2.388 -6.096 5.126 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.365 -5.100 4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.847 -6.472 7.125 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.670 -5.594 7.163 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.978 -8.407 5.362 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.643 -6.748 6.776 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.239 -10.483 4.681 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.859 -8.822 6.094 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.643 -10.664 5.056 1.00 0.00 H new ATOM 601 N VAL A 45 0.088 -3.094 6.173 1.00 0.00 N ATOM 602 CA VAL A 45 0.469 -1.792 6.694 1.00 0.00 C ATOM 603 C VAL A 45 0.260 -1.772 8.209 1.00 0.00 C ATOM 604 O VAL A 45 -0.812 -2.130 8.696 1.00 0.00 O ATOM 605 CB VAL A 45 -0.307 -0.691 5.968 1.00 0.00 C ATOM 606 CG1 VAL A 45 0.043 0.688 6.531 1.00 0.00 C ATOM 607 CG2 VAL A 45 -0.058 -0.747 4.460 1.00 0.00 C ATOM 0 H VAL A 45 -0.916 -3.228 6.051 1.00 0.00 H new ATOM 0 HA VAL A 45 1.526 -1.601 6.510 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.370 -0.863 6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.522 1.453 5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.209 0.723 7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.110 0.872 6.406 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.621 0.046 3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.005 -0.613 4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.380 -1.714 4.074 1.00 0.00 H new ATOM 617 N SER A 46 1.300 -1.351 8.913 1.00 0.00 N ATOM 618 CA SER A 46 1.243 -1.280 10.363 1.00 0.00 C ATOM 619 C SER A 46 1.410 0.170 10.823 1.00 0.00 C ATOM 620 O SER A 46 0.757 0.603 11.771 1.00 0.00 O ATOM 621 CB SER A 46 2.316 -2.165 11.000 1.00 0.00 C ATOM 622 OG SER A 46 2.092 -2.356 12.394 1.00 0.00 O ATOM 0 H SER A 46 2.187 -1.055 8.506 1.00 0.00 H new ATOM 0 HA SER A 46 0.269 -1.647 10.685 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.332 -3.133 10.499 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.296 -1.712 10.849 1.00 0.00 H new ATOM 0 HG SER A 46 2.797 -2.927 12.763 1.00 0.00 H new ATOM 628 N LYS A 47 2.288 0.880 10.129 1.00 0.00 N ATOM 629 CA LYS A 47 2.548 2.272 10.455 1.00 0.00 C ATOM 630 C LYS A 47 2.248 3.142 9.232 1.00 0.00 C ATOM 631 O LYS A 47 2.631 2.801 8.114 1.00 0.00 O ATOM 632 CB LYS A 47 3.970 2.439 10.994 1.00 0.00 C ATOM 633 CG LYS A 47 4.093 3.714 11.831 1.00 0.00 C ATOM 634 CD LYS A 47 5.315 4.532 11.409 1.00 0.00 C ATOM 635 CE LYS A 47 5.359 5.872 12.147 1.00 0.00 C ATOM 636 NZ LYS A 47 6.357 5.829 13.239 1.00 0.00 N ATOM 0 H LYS A 47 2.828 0.518 9.343 1.00 0.00 H new ATOM 0 HA LYS A 47 1.887 2.606 11.255 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.236 1.574 11.601 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.675 2.475 10.164 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.191 4.316 11.718 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.172 3.454 12.887 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.224 3.968 11.617 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.287 4.706 10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.609 6.671 11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.375 6.102 12.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.374 6.746 13.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.101 5.080 13.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.298 5.631 12.842 1.00 0.00 H new ATOM 650 N ILE A 48 1.564 4.248 9.487 1.00 0.00 N ATOM 651 CA ILE A 48 1.208 5.169 8.421 1.00 0.00 C ATOM 652 C ILE A 48 1.520 6.600 8.864 1.00 0.00 C ATOM 653 O ILE A 48 1.030 7.055 9.896 1.00 0.00 O ATOM 654 CB ILE A 48 -0.247 4.961 7.996 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.419 3.628 7.265 1.00 0.00 C ATOM 656 CG2 ILE A 48 -0.749 6.141 7.162 1.00 0.00 C ATOM 657 CD1 ILE A 48 -1.810 3.522 6.638 1.00 0.00 C ATOM 0 H ILE A 48 1.247 4.527 10.416 1.00 0.00 H new ATOM 0 HA ILE A 48 1.807 4.972 7.532 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.862 4.917 8.895 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.341 3.534 6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.267 2.804 7.963 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.786 5.967 6.873 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.685 7.056 7.751 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.135 6.241 6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.906 2.565 6.125 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.567 3.592 7.419 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.950 4.333 5.923 1.00 0.00 H new ATOM 669 N VAL A 49 2.335 7.270 8.061 1.00 0.00 N ATOM 670 CA VAL A 49 2.719 8.639 8.358 1.00 0.00 C ATOM 671 C VAL A 49 1.575 9.579 7.972 1.00 0.00 C ATOM 672 O VAL A 49 1.115 9.568 6.831 1.00 0.00 O ATOM 673 CB VAL A 49 4.034 8.978 7.654 1.00 0.00 C ATOM 674 CG1 VAL A 49 4.426 10.437 7.898 1.00 0.00 C ATOM 675 CG2 VAL A 49 5.151 8.029 8.093 1.00 0.00 C ATOM 0 H VAL A 49 2.739 6.890 7.205 1.00 0.00 H new ATOM 0 HA VAL A 49 2.896 8.763 9.426 1.00 0.00 H new ATOM 0 HB VAL A 49 3.884 8.846 6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.364 10.652 7.387 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.645 11.093 7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.549 10.607 8.968 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.075 8.292 7.578 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.299 8.114 9.170 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.876 7.004 7.845 1.00 0.00 H new ATOM 685 N ASP A 50 1.148 10.371 8.945 1.00 0.00 N ATOM 686 CA ASP A 50 0.066 11.315 8.721 1.00 0.00 C ATOM 687 C ASP A 50 0.469 12.292 7.615 1.00 0.00 C ATOM 688 O ASP A 50 0.006 12.176 6.481 1.00 0.00 O ATOM 689 CB ASP A 50 -0.226 12.126 9.985 1.00 0.00 C ATOM 690 CG ASP A 50 -1.200 13.291 9.795 1.00 0.00 C ATOM 691 OD1 ASP A 50 -1.772 13.377 8.687 1.00 0.00 O ATOM 692 OD2 ASP A 50 -1.352 14.068 10.762 1.00 0.00 O ATOM 0 H ASP A 50 1.532 10.378 9.890 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.823 10.750 8.441 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.629 11.455 10.744 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.714 12.518 10.373 1.00 0.00 H new ATOM 697 N SER A 51 1.327 13.232 7.983 1.00 0.00 N ATOM 698 CA SER A 51 1.796 14.229 7.036 1.00 0.00 C ATOM 699 C SER A 51 2.220 13.552 5.731 1.00 0.00 C ATOM 700 O SER A 51 2.165 14.161 4.664 1.00 0.00 O ATOM 701 CB SER A 51 2.959 15.036 7.617 1.00 0.00 C ATOM 702 OG SER A 51 3.582 14.365 8.708 1.00 0.00 O ATOM 0 H SER A 51 1.710 13.324 8.924 1.00 0.00 H new ATOM 0 HA SER A 51 0.977 14.918 6.831 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.697 15.222 6.837 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.595 16.008 7.949 1.00 0.00 H new ATOM 0 HG SER A 51 4.320 14.912 9.050 1.00 0.00 H new ATOM 708 N GLY A 52 2.634 12.299 5.859 1.00 0.00 N ATOM 709 CA GLY A 52 3.068 11.533 4.703 1.00 0.00 C ATOM 710 C GLY A 52 2.002 11.547 3.605 1.00 0.00 C ATOM 711 O GLY A 52 0.819 11.732 3.886 1.00 0.00 O ATOM 0 H GLY A 52 2.678 11.796 6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.999 11.947 4.316 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.276 10.505 5.000 1.00 0.00 H new ATOM 715 N PRO A 53 2.472 11.343 2.345 1.00 0.00 N ATOM 716 CA PRO A 53 1.573 11.330 1.204 1.00 0.00 C ATOM 717 C PRO A 53 0.771 10.028 1.152 1.00 0.00 C ATOM 718 O PRO A 53 -0.079 9.853 0.280 1.00 0.00 O ATOM 719 CB PRO A 53 2.472 11.522 -0.007 1.00 0.00 C ATOM 720 CG PRO A 53 3.876 11.171 0.456 1.00 0.00 C ATOM 721 CD PRO A 53 3.867 11.120 1.975 1.00 0.00 C ATOM 0 HA PRO A 53 0.820 12.116 1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.160 10.879 -0.830 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.426 12.549 -0.369 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.185 10.210 0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.591 11.914 0.103 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.225 10.158 2.341 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.517 11.885 2.401 1.00 0.00 H new ATOM 729 N ALA A 54 1.069 9.149 2.097 1.00 0.00 N ATOM 730 CA ALA A 54 0.386 7.869 2.171 1.00 0.00 C ATOM 731 C ALA A 54 -0.936 8.043 2.920 1.00 0.00 C ATOM 732 O ALA A 54 -1.948 7.452 2.547 1.00 0.00 O ATOM 733 CB ALA A 54 1.302 6.839 2.836 1.00 0.00 C ATOM 0 H ALA A 54 1.775 9.298 2.818 1.00 0.00 H new ATOM 0 HA ALA A 54 0.152 7.501 1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.790 5.879 2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.214 6.730 2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.556 7.174 3.842 1.00 0.00 H new ATOM 739 N ALA A 55 -0.885 8.857 3.964 1.00 0.00 N ATOM 740 CA ALA A 55 -2.066 9.117 4.769 1.00 0.00 C ATOM 741 C ALA A 55 -2.785 10.355 4.229 1.00 0.00 C ATOM 742 O ALA A 55 -4.012 10.378 4.145 1.00 0.00 O ATOM 743 CB ALA A 55 -1.660 9.273 6.236 1.00 0.00 C ATOM 0 H ALA A 55 -0.044 9.345 4.271 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.762 8.280 4.710 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.546 9.468 6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.181 8.357 6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.963 10.106 6.334 1.00 0.00 H new ATOM 749 N LYS A 56 -1.990 11.354 3.875 1.00 0.00 N ATOM 750 CA LYS A 56 -2.535 12.592 3.345 1.00 0.00 C ATOM 751 C LYS A 56 -3.501 12.271 2.202 1.00 0.00 C ATOM 752 O LYS A 56 -4.712 12.211 2.407 1.00 0.00 O ATOM 753 CB LYS A 56 -1.407 13.547 2.947 1.00 0.00 C ATOM 754 CG LYS A 56 -1.024 14.459 4.115 1.00 0.00 C ATOM 755 CD LYS A 56 -1.941 15.682 4.179 1.00 0.00 C ATOM 756 CE LYS A 56 -2.195 16.100 5.629 1.00 0.00 C ATOM 757 NZ LYS A 56 -1.116 16.993 6.107 1.00 0.00 N ATOM 0 H LYS A 56 -0.973 11.331 3.945 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.109 13.114 4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.536 12.974 2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.721 14.152 2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.087 13.903 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.011 14.782 4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.489 16.509 3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.889 15.457 3.690 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.156 16.609 5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.252 15.216 6.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.258 17.199 7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.196 16.527 5.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.135 17.881 5.566 1.00 0.00 H new ATOM 771 N GLU A 57 -2.928 12.074 1.024 1.00 0.00 N ATOM 772 CA GLU A 57 -3.723 11.760 -0.151 1.00 0.00 C ATOM 773 C GLU A 57 -3.653 10.263 -0.455 1.00 0.00 C ATOM 774 O GLU A 57 -4.585 9.698 -1.027 1.00 0.00 O ATOM 775 CB GLU A 57 -3.268 12.586 -1.356 1.00 0.00 C ATOM 776 CG GLU A 57 -3.473 14.081 -1.105 1.00 0.00 C ATOM 777 CD GLU A 57 -3.095 14.902 -2.341 1.00 0.00 C ATOM 778 OE1 GLU A 57 -3.929 14.943 -3.271 1.00 0.00 O ATOM 779 OE2 GLU A 57 -1.982 15.469 -2.326 1.00 0.00 O ATOM 0 H GLU A 57 -1.923 12.126 0.858 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.761 12.020 0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.216 12.389 -1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.827 12.282 -2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.514 14.270 -0.843 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.868 14.397 -0.255 1.00 0.00 H new ATOM 786 N GLY A 58 -2.541 9.662 -0.060 1.00 0.00 N ATOM 787 CA GLY A 58 -2.337 8.241 -0.283 1.00 0.00 C ATOM 788 C GLY A 58 -3.660 7.477 -0.194 1.00 0.00 C ATOM 789 O GLY A 58 -4.036 6.769 -1.127 1.00 0.00 O ATOM 0 H GLY A 58 -1.771 10.134 0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.887 8.084 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.637 7.850 0.455 1.00 0.00 H new ATOM 793 N GLY A 59 -4.331 7.647 0.936 1.00 0.00 N ATOM 794 CA GLY A 59 -5.604 6.983 1.158 1.00 0.00 C ATOM 795 C GLY A 59 -5.413 5.678 1.933 1.00 0.00 C ATOM 796 O GLY A 59 -6.381 5.087 2.409 1.00 0.00 O ATOM 0 H GLY A 59 -4.017 8.235 1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.272 7.644 1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.082 6.775 0.201 1.00 0.00 H new ATOM 800 N LEU A 60 -4.158 5.265 2.035 1.00 0.00 N ATOM 801 CA LEU A 60 -3.828 4.041 2.744 1.00 0.00 C ATOM 802 C LEU A 60 -4.556 4.023 4.090 1.00 0.00 C ATOM 803 O LEU A 60 -5.173 5.014 4.479 1.00 0.00 O ATOM 804 CB LEU A 60 -2.311 3.883 2.864 1.00 0.00 C ATOM 805 CG LEU A 60 -1.793 2.449 2.984 1.00 0.00 C ATOM 806 CD1 LEU A 60 -2.544 1.513 2.034 1.00 0.00 C ATOM 807 CD2 LEU A 60 -0.279 2.392 2.766 1.00 0.00 C ATOM 0 H LEU A 60 -3.357 5.757 1.638 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.173 3.172 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.848 4.344 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.975 4.444 3.736 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.986 2.101 3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.156 0.500 2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.606 1.522 2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.405 1.850 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.063 1.361 2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.040 2.767 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.220 3.007 3.515 1.00 0.00 H new ATOM 819 N GLN A 61 -4.460 2.886 4.763 1.00 0.00 N ATOM 820 CA GLN A 61 -5.102 2.727 6.057 1.00 0.00 C ATOM 821 C GLN A 61 -4.384 1.654 6.878 1.00 0.00 C ATOM 822 O GLN A 61 -4.255 0.513 6.437 1.00 0.00 O ATOM 823 CB GLN A 61 -6.586 2.391 5.895 1.00 0.00 C ATOM 824 CG GLN A 61 -7.445 3.227 6.846 1.00 0.00 C ATOM 825 CD GLN A 61 -8.763 2.517 7.163 1.00 0.00 C ATOM 826 OE1 GLN A 61 -8.959 1.964 8.233 1.00 0.00 O ATOM 827 NE2 GLN A 61 -9.652 2.562 6.175 1.00 0.00 N ATOM 0 H GLN A 61 -3.948 2.066 4.437 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.033 3.674 6.593 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.894 2.574 4.865 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.746 1.331 6.092 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.896 3.412 7.770 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.650 4.199 6.397 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.423 3.042 5.305 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.563 2.117 6.288 1.00 0.00 H new ATOM 836 N ILE A 62 -3.935 2.058 8.057 1.00 0.00 N ATOM 837 CA ILE A 62 -3.232 1.146 8.943 1.00 0.00 C ATOM 838 C ILE A 62 -3.935 -0.214 8.929 1.00 0.00 C ATOM 839 O ILE A 62 -5.160 -0.282 8.841 1.00 0.00 O ATOM 840 CB ILE A 62 -3.097 1.754 10.340 1.00 0.00 C ATOM 841 CG1 ILE A 62 -1.930 2.743 10.397 1.00 0.00 C ATOM 842 CG2 ILE A 62 -2.974 0.661 11.404 1.00 0.00 C ATOM 843 CD1 ILE A 62 -1.439 2.930 11.834 1.00 0.00 C ATOM 0 H ILE A 62 -4.044 3.005 8.420 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.213 0.983 8.592 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.006 2.315 10.558 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.112 2.382 9.774 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.243 3.704 9.988 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.879 1.120 12.388 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.863 0.030 11.382 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.092 0.053 11.201 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.610 3.637 11.846 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.253 3.314 12.449 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.104 1.972 12.232 1.00 0.00 H new ATOM 855 N HIS A 63 -3.129 -1.261 9.019 1.00 0.00 N ATOM 856 CA HIS A 63 -3.658 -2.615 9.018 1.00 0.00 C ATOM 857 C HIS A 63 -4.353 -2.893 7.684 1.00 0.00 C ATOM 858 O HIS A 63 -5.512 -3.305 7.658 1.00 0.00 O ATOM 859 CB HIS A 63 -4.574 -2.841 10.222 1.00 0.00 C ATOM 860 CG HIS A 63 -3.996 -2.359 11.532 1.00 0.00 C ATOM 861 ND1 HIS A 63 -2.712 -2.065 11.885 1.00 0.00 N flip ATOM 862 CD2 HIS A 63 -4.772 -2.132 12.655 1.00 0.00 C flip ATOM 863 CE1 HIS A 63 -2.704 -1.678 13.155 1.00 0.00 C flip ATOM 864 NE2 HIS A 63 -3.981 -1.719 13.634 1.00 0.00 N flip ATOM 0 H HIS A 63 -2.114 -1.200 9.093 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.840 -3.329 9.118 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.522 -2.332 10.045 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.794 -3.905 10.303 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.841 -2.268 12.722 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.831 -1.380 13.716 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -4.275 -1.475 14.580 1.00 0.00 H new ATOM 872 N ASP A 64 -3.617 -2.656 6.608 1.00 0.00 N ATOM 873 CA ASP A 64 -4.148 -2.876 5.274 1.00 0.00 C ATOM 874 C ASP A 64 -3.173 -3.747 4.479 1.00 0.00 C ATOM 875 O ASP A 64 -1.977 -3.464 4.433 1.00 0.00 O ATOM 876 CB ASP A 64 -4.320 -1.553 4.525 1.00 0.00 C ATOM 877 CG ASP A 64 -5.691 -0.893 4.685 1.00 0.00 C ATOM 878 OD1 ASP A 64 -6.484 -1.421 5.494 1.00 0.00 O ATOM 879 OD2 ASP A 64 -5.914 0.126 3.995 1.00 0.00 O ATOM 0 H ASP A 64 -2.657 -2.314 6.633 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.118 -3.363 5.373 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.556 -0.856 4.869 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.139 -1.727 3.464 1.00 0.00 H new ATOM 884 N ARG A 65 -3.721 -4.789 3.871 1.00 0.00 N ATOM 885 CA ARG A 65 -2.915 -5.703 3.080 1.00 0.00 C ATOM 886 C ARG A 65 -2.823 -5.213 1.633 1.00 0.00 C ATOM 887 O ARG A 65 -3.822 -5.191 0.917 1.00 0.00 O ATOM 888 CB ARG A 65 -3.506 -7.114 3.097 1.00 0.00 C ATOM 889 CG ARG A 65 -2.456 -8.153 2.699 1.00 0.00 C ATOM 890 CD ARG A 65 -3.104 -9.513 2.429 1.00 0.00 C ATOM 891 NE ARG A 65 -2.100 -10.452 1.881 1.00 0.00 N ATOM 892 CZ ARG A 65 -2.351 -11.737 1.594 1.00 0.00 C ATOM 893 NH1 ARG A 65 -3.574 -12.243 1.801 1.00 0.00 N ATOM 894 NH2 ARG A 65 -1.379 -12.515 1.100 1.00 0.00 N ATOM 0 H ARG A 65 -4.714 -5.020 3.910 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.919 -5.734 3.521 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.888 -7.340 4.093 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.352 -7.166 2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.925 -7.816 1.809 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.716 -8.250 3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.524 -9.914 3.351 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.929 -9.399 1.726 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.158 -10.099 1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.314 -11.650 2.177 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.765 -13.221 1.583 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.448 -12.130 0.942 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.570 -13.493 0.882 1.00 0.00 H new ATOM 908 N ILE A 66 -1.614 -4.833 1.247 1.00 0.00 N ATOM 909 CA ILE A 66 -1.378 -4.345 -0.101 1.00 0.00 C ATOM 910 C ILE A 66 -1.611 -5.481 -1.098 1.00 0.00 C ATOM 911 O ILE A 66 -1.261 -6.629 -0.830 1.00 0.00 O ATOM 912 CB ILE A 66 0.010 -3.710 -0.206 1.00 0.00 C ATOM 913 CG1 ILE A 66 0.372 -2.967 1.082 1.00 0.00 C ATOM 914 CG2 ILE A 66 0.107 -2.805 -1.436 1.00 0.00 C ATOM 915 CD1 ILE A 66 1.440 -1.903 0.820 1.00 0.00 C ATOM 0 H ILE A 66 -0.787 -4.853 1.844 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.085 -3.553 -0.348 1.00 0.00 H new ATOM 0 HB ILE A 66 0.742 -4.508 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.519 -2.498 1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.735 -3.677 1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.103 -2.366 -1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.077 -3.392 -2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.636 -2.011 -1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.679 -1.390 1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.339 -2.379 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.064 -1.181 0.095 1.00 0.00 H new ATOM 927 N ILE A 67 -2.202 -5.122 -2.229 1.00 0.00 N ATOM 928 CA ILE A 67 -2.486 -6.097 -3.267 1.00 0.00 C ATOM 929 C ILE A 67 -1.566 -5.845 -4.464 1.00 0.00 C ATOM 930 O ILE A 67 -0.958 -6.775 -4.991 1.00 0.00 O ATOM 931 CB ILE A 67 -3.974 -6.084 -3.622 1.00 0.00 C ATOM 932 CG1 ILE A 67 -4.812 -5.562 -2.454 1.00 0.00 C ATOM 933 CG2 ILE A 67 -4.439 -7.465 -4.089 1.00 0.00 C ATOM 934 CD1 ILE A 67 -4.762 -6.528 -1.268 1.00 0.00 C ATOM 0 H ILE A 67 -2.492 -4.169 -2.448 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.276 -7.105 -2.910 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.120 -5.397 -4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.444 -4.583 -2.146 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.845 -5.427 -2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.500 -7.428 -4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.872 -7.760 -4.972 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.276 -8.192 -3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.366 -6.133 -0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.154 -7.499 -1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.731 -6.641 -0.934 1.00 0.00 H new ATOM 946 N GLU A 68 -1.493 -4.582 -4.857 1.00 0.00 N ATOM 947 CA GLU A 68 -0.657 -4.195 -5.981 1.00 0.00 C ATOM 948 C GLU A 68 -0.058 -2.807 -5.744 1.00 0.00 C ATOM 949 O GLU A 68 -0.644 -1.986 -5.040 1.00 0.00 O ATOM 950 CB GLU A 68 -1.447 -4.235 -7.290 1.00 0.00 C ATOM 951 CG GLU A 68 -0.752 -5.124 -8.323 1.00 0.00 C ATOM 952 CD GLU A 68 -1.511 -6.438 -8.515 1.00 0.00 C ATOM 953 OE1 GLU A 68 -1.697 -7.140 -7.498 1.00 0.00 O ATOM 954 OE2 GLU A 68 -1.889 -6.711 -9.675 1.00 0.00 O ATOM 0 H GLU A 68 -1.999 -3.813 -4.417 1.00 0.00 H new ATOM 0 HA GLU A 68 0.160 -4.912 -6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.453 -4.610 -7.101 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.552 -3.225 -7.686 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.684 -4.597 -9.275 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.268 -5.333 -8.001 1.00 0.00 H new ATOM 961 N VAL A 69 1.101 -2.587 -6.346 1.00 0.00 N ATOM 962 CA VAL A 69 1.786 -1.313 -6.210 1.00 0.00 C ATOM 963 C VAL A 69 2.397 -0.921 -7.556 1.00 0.00 C ATOM 964 O VAL A 69 3.274 -1.615 -8.070 1.00 0.00 O ATOM 965 CB VAL A 69 2.819 -1.392 -5.084 1.00 0.00 C ATOM 966 CG1 VAL A 69 4.215 -1.678 -5.641 1.00 0.00 C ATOM 967 CG2 VAL A 69 2.815 -0.113 -4.245 1.00 0.00 C ATOM 0 H VAL A 69 1.584 -3.270 -6.930 1.00 0.00 H new ATOM 0 HA VAL A 69 1.082 -0.528 -5.932 1.00 0.00 H new ATOM 0 HB VAL A 69 2.542 -2.220 -4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.931 -1.729 -4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.206 -2.628 -6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.504 -0.880 -6.325 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.558 -0.196 -3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.055 0.740 -4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.828 0.030 -3.804 1.00 0.00 H new ATOM 977 N ASN A 70 1.911 0.190 -8.090 1.00 0.00 N ATOM 978 CA ASN A 70 2.399 0.683 -9.367 1.00 0.00 C ATOM 979 C ASN A 70 2.200 -0.395 -10.434 1.00 0.00 C ATOM 980 O ASN A 70 2.820 -0.345 -11.495 1.00 0.00 O ATOM 981 CB ASN A 70 3.892 1.009 -9.297 1.00 0.00 C ATOM 982 CG ASN A 70 4.265 2.089 -10.315 1.00 0.00 C ATOM 983 OD1 ASN A 70 4.436 3.296 -9.785 1.00 0.00 O flip ATOM 984 ND2 ASN A 70 4.390 1.841 -11.503 1.00 0.00 N flip ATOM 0 H ASN A 70 1.184 0.763 -7.661 1.00 0.00 H new ATOM 0 HA ASN A 70 1.844 1.588 -9.614 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.148 1.347 -8.293 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.474 0.107 -9.488 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.244 0.891 -11.844 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.641 2.584 -12.155 1.00 0.00 H new ATOM 991 N GLY A 71 1.331 -1.344 -10.116 1.00 0.00 N ATOM 992 CA GLY A 71 1.043 -2.432 -11.035 1.00 0.00 C ATOM 993 C GLY A 71 1.799 -3.701 -10.637 1.00 0.00 C ATOM 994 O GLY A 71 1.642 -4.745 -11.268 1.00 0.00 O ATOM 0 H GLY A 71 0.818 -1.382 -9.235 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.029 -2.631 -11.044 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.322 -2.141 -12.048 1.00 0.00 H new ATOM 998 N ARG A 72 2.603 -3.569 -9.592 1.00 0.00 N ATOM 999 CA ARG A 72 3.384 -4.692 -9.102 1.00 0.00 C ATOM 1000 C ARG A 72 2.657 -5.380 -7.945 1.00 0.00 C ATOM 1001 O ARG A 72 2.309 -4.737 -6.956 1.00 0.00 O ATOM 1002 CB ARG A 72 4.766 -4.237 -8.628 1.00 0.00 C ATOM 1003 CG ARG A 72 5.874 -4.984 -9.373 1.00 0.00 C ATOM 1004 CD ARG A 72 6.973 -5.437 -8.409 1.00 0.00 C ATOM 1005 NE ARG A 72 8.031 -6.158 -9.151 1.00 0.00 N ATOM 1006 CZ ARG A 72 7.975 -7.459 -9.465 1.00 0.00 C ATOM 1007 NH1 ARG A 72 6.912 -8.190 -9.103 1.00 0.00 N ATOM 1008 NH2 ARG A 72 8.982 -8.030 -10.140 1.00 0.00 N ATOM 0 H ARG A 72 2.730 -2.701 -9.071 1.00 0.00 H new ATOM 0 HA ARG A 72 3.508 -5.394 -9.927 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.874 -3.164 -8.788 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.862 -4.411 -7.556 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.454 -5.850 -9.884 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.301 -4.338 -10.140 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.399 -4.573 -7.899 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.550 -6.085 -7.641 1.00 0.00 H new ATOM 0 HE ARG A 72 8.855 -5.631 -9.442 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.146 -7.756 -8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.869 -9.181 -9.342 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.792 -7.474 -10.415 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.939 -9.021 -10.379 1.00 0.00 H new ATOM 1022 N ASP A 73 2.448 -6.678 -8.108 1.00 0.00 N ATOM 1023 CA ASP A 73 1.768 -7.460 -7.089 1.00 0.00 C ATOM 1024 C ASP A 73 2.744 -7.767 -5.952 1.00 0.00 C ATOM 1025 O ASP A 73 3.863 -8.216 -6.193 1.00 0.00 O ATOM 1026 CB ASP A 73 1.271 -8.791 -7.657 1.00 0.00 C ATOM 1027 CG ASP A 73 0.981 -9.872 -6.613 1.00 0.00 C ATOM 1028 OD1 ASP A 73 1.966 -10.381 -6.035 1.00 0.00 O ATOM 1029 OD2 ASP A 73 -0.218 -10.164 -6.417 1.00 0.00 O ATOM 0 H ASP A 73 2.737 -7.208 -8.930 1.00 0.00 H new ATOM 0 HA ASP A 73 0.917 -6.880 -6.731 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.362 -8.607 -8.230 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.016 -9.172 -8.355 1.00 0.00 H new ATOM 1034 N LEU A 74 2.285 -7.511 -4.736 1.00 0.00 N ATOM 1035 CA LEU A 74 3.103 -7.754 -3.560 1.00 0.00 C ATOM 1036 C LEU A 74 2.312 -8.596 -2.557 1.00 0.00 C ATOM 1037 O LEU A 74 2.773 -8.838 -1.443 1.00 0.00 O ATOM 1038 CB LEU A 74 3.618 -6.433 -2.983 1.00 0.00 C ATOM 1039 CG LEU A 74 4.143 -5.417 -3.999 1.00 0.00 C ATOM 1040 CD1 LEU A 74 4.403 -4.063 -3.336 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.384 -5.951 -4.718 1.00 0.00 C ATOM 0 H LEU A 74 1.356 -7.137 -4.540 1.00 0.00 H new ATOM 0 HA LEU A 74 3.991 -8.327 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.811 -5.967 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.417 -6.655 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 74 3.374 -5.263 -4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.776 -3.359 -4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.475 -3.683 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.144 -4.181 -2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.737 -5.209 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.168 -6.153 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.132 -6.872 -5.244 1.00 0.00 H new ATOM 1053 N SER A 75 1.133 -9.019 -2.989 1.00 0.00 N ATOM 1054 CA SER A 75 0.272 -9.828 -2.143 1.00 0.00 C ATOM 1055 C SER A 75 1.055 -11.020 -1.589 1.00 0.00 C ATOM 1056 O SER A 75 0.902 -11.379 -0.422 1.00 0.00 O ATOM 1057 CB SER A 75 -0.958 -10.313 -2.913 1.00 0.00 C ATOM 1058 OG SER A 75 -1.578 -11.430 -2.280 1.00 0.00 O ATOM 0 H SER A 75 0.754 -8.817 -3.914 1.00 0.00 H new ATOM 0 HA SER A 75 -0.072 -9.210 -1.314 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.677 -9.499 -2.997 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.666 -10.587 -3.927 1.00 0.00 H new ATOM 0 HG SER A 75 -2.360 -11.709 -2.801 1.00 0.00 H new ATOM 1064 N ARG A 76 1.877 -11.600 -2.451 1.00 0.00 N ATOM 1065 CA ARG A 76 2.684 -12.744 -2.062 1.00 0.00 C ATOM 1066 C ARG A 76 4.167 -12.369 -2.052 1.00 0.00 C ATOM 1067 O ARG A 76 5.032 -13.238 -2.146 1.00 0.00 O ATOM 1068 CB ARG A 76 2.469 -13.920 -3.017 1.00 0.00 C ATOM 1069 CG ARG A 76 3.018 -13.603 -4.410 1.00 0.00 C ATOM 1070 CD ARG A 76 4.070 -14.630 -4.831 1.00 0.00 C ATOM 1071 NE ARG A 76 4.611 -14.283 -6.165 1.00 0.00 N ATOM 1072 CZ ARG A 76 3.973 -14.523 -7.319 1.00 0.00 C ATOM 1073 NH1 ARG A 76 2.770 -15.113 -7.310 1.00 0.00 N ATOM 1074 NH2 ARG A 76 4.540 -14.174 -8.482 1.00 0.00 N ATOM 0 H ARG A 76 2.002 -11.299 -3.418 1.00 0.00 H new ATOM 0 HA ARG A 76 2.375 -13.043 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.961 -14.809 -2.622 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.405 -14.148 -3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.202 -13.595 -5.133 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.457 -12.605 -4.414 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.877 -14.658 -4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.628 -15.626 -4.857 1.00 0.00 H new ATOM 0 HE ARG A 76 5.526 -13.834 -6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.339 -15.380 -6.425 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.285 -15.295 -8.188 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.456 -13.726 -8.488 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.055 -14.356 -9.361 1.00 0.00 H new ATOM 1088 N ALA A 77 4.416 -11.072 -1.938 1.00 0.00 N ATOM 1089 CA ALA A 77 5.779 -10.571 -1.915 1.00 0.00 C ATOM 1090 C ALA A 77 6.223 -10.379 -0.463 1.00 0.00 C ATOM 1091 O ALA A 77 5.403 -10.433 0.453 1.00 0.00 O ATOM 1092 CB ALA A 77 5.861 -9.276 -2.725 1.00 0.00 C ATOM 0 H ALA A 77 3.696 -10.353 -1.861 1.00 0.00 H new ATOM 0 HA ALA A 77 6.459 -11.288 -2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.884 -8.900 -2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.564 -9.472 -3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.194 -8.532 -2.290 1.00 0.00 H new ATOM 1098 N THR A 78 7.519 -10.159 -0.298 1.00 0.00 N ATOM 1099 CA THR A 78 8.081 -9.959 1.027 1.00 0.00 C ATOM 1100 C THR A 78 8.409 -8.481 1.249 1.00 0.00 C ATOM 1101 O THR A 78 8.327 -7.677 0.322 1.00 0.00 O ATOM 1102 CB THR A 78 9.295 -10.879 1.169 1.00 0.00 C ATOM 1103 OG1 THR A 78 10.363 -10.137 0.588 1.00 0.00 O ATOM 1104 CG2 THR A 78 9.189 -12.128 0.292 1.00 0.00 C ATOM 0 H THR A 78 8.196 -10.115 -1.060 1.00 0.00 H new ATOM 0 HA THR A 78 7.364 -10.221 1.805 1.00 0.00 H new ATOM 0 HB THR A 78 9.405 -11.176 2.212 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.190 -10.660 0.639 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.076 -12.746 0.431 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.303 -12.696 0.574 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.113 -11.832 -0.754 1.00 0.00 H new ATOM 1112 N HIS A 79 8.774 -8.168 2.484 1.00 0.00 N ATOM 1113 CA HIS A 79 9.115 -6.801 2.840 1.00 0.00 C ATOM 1114 C HIS A 79 10.180 -6.271 1.878 1.00 0.00 C ATOM 1115 O HIS A 79 10.087 -5.140 1.405 1.00 0.00 O ATOM 1116 CB HIS A 79 9.543 -6.712 4.306 1.00 0.00 C ATOM 1117 CG HIS A 79 9.786 -5.303 4.790 1.00 0.00 C ATOM 1118 ND1 HIS A 79 8.930 -4.381 5.317 1.00 0.00 N flip ATOM 1119 CD2 HIS A 79 11.034 -4.704 4.759 1.00 0.00 C flip ATOM 1120 CE1 HIS A 79 9.617 -3.279 5.593 1.00 0.00 C flip ATOM 1121 NE2 HIS A 79 10.921 -3.477 5.247 1.00 0.00 N flip ATOM 0 H HIS A 79 8.841 -8.838 3.250 1.00 0.00 H new ATOM 0 HA HIS A 79 8.236 -6.165 2.740 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.774 -7.171 4.927 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.454 -7.295 4.444 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.945 -5.159 4.398 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.210 -2.375 6.021 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.677 -2.799 5.346 1.00 0.00 H new ATOM 1129 N ASP A 80 11.169 -7.114 1.618 1.00 0.00 N ATOM 1130 CA ASP A 80 12.251 -6.745 0.721 1.00 0.00 C ATOM 1131 C ASP A 80 11.668 -6.332 -0.632 1.00 0.00 C ATOM 1132 O ASP A 80 12.014 -5.279 -1.165 1.00 0.00 O ATOM 1133 CB ASP A 80 13.199 -7.922 0.488 1.00 0.00 C ATOM 1134 CG ASP A 80 14.634 -7.703 0.972 1.00 0.00 C ATOM 1135 OD1 ASP A 80 14.832 -6.739 1.742 1.00 0.00 O ATOM 1136 OD2 ASP A 80 15.500 -8.505 0.561 1.00 0.00 O ATOM 0 H ASP A 80 11.244 -8.051 2.013 1.00 0.00 H new ATOM 0 HA ASP A 80 12.802 -5.923 1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.793 -8.801 0.989 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.221 -8.145 -0.579 1.00 0.00 H new ATOM 1141 N GLN A 81 10.793 -7.183 -1.148 1.00 0.00 N ATOM 1142 CA GLN A 81 10.159 -6.919 -2.428 1.00 0.00 C ATOM 1143 C GLN A 81 9.343 -5.627 -2.361 1.00 0.00 C ATOM 1144 O GLN A 81 9.565 -4.707 -3.147 1.00 0.00 O ATOM 1145 CB GLN A 81 9.284 -8.098 -2.859 1.00 0.00 C ATOM 1146 CG GLN A 81 10.034 -9.011 -3.831 1.00 0.00 C ATOM 1147 CD GLN A 81 9.120 -9.466 -4.972 1.00 0.00 C ATOM 1148 OE1 GLN A 81 9.010 -8.827 -6.006 1.00 0.00 O ATOM 1149 NE2 GLN A 81 8.472 -10.601 -4.726 1.00 0.00 N ATOM 0 H GLN A 81 10.509 -8.055 -0.703 1.00 0.00 H new ATOM 0 HA GLN A 81 10.939 -6.793 -3.179 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.978 -8.668 -1.982 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.374 -7.727 -3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.896 -8.484 -4.239 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.416 -9.881 -3.297 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.610 -11.085 -3.839 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.837 -10.987 -5.424 1.00 0.00 H new ATOM 1158 N ALA A 82 8.417 -5.598 -1.414 1.00 0.00 N ATOM 1159 CA ALA A 82 7.567 -4.433 -1.234 1.00 0.00 C ATOM 1160 C ALA A 82 8.436 -3.175 -1.190 1.00 0.00 C ATOM 1161 O ALA A 82 8.192 -2.221 -1.927 1.00 0.00 O ATOM 1162 CB ALA A 82 6.726 -4.606 0.033 1.00 0.00 C ATOM 0 H ALA A 82 8.237 -6.362 -0.763 1.00 0.00 H new ATOM 0 HA ALA A 82 6.877 -4.328 -2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.088 -3.732 0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.105 -5.497 -0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.384 -4.712 0.895 1.00 0.00 H new ATOM 1168 N VAL A 83 9.433 -3.214 -0.318 1.00 0.00 N ATOM 1169 CA VAL A 83 10.340 -2.088 -0.168 1.00 0.00 C ATOM 1170 C VAL A 83 10.893 -1.698 -1.541 1.00 0.00 C ATOM 1171 O VAL A 83 10.768 -0.548 -1.960 1.00 0.00 O ATOM 1172 CB VAL A 83 11.437 -2.431 0.842 1.00 0.00 C ATOM 1173 CG1 VAL A 83 12.602 -1.444 0.743 1.00 0.00 C ATOM 1174 CG2 VAL A 83 10.876 -2.476 2.265 1.00 0.00 C ATOM 0 H VAL A 83 9.633 -4.007 0.292 1.00 0.00 H new ATOM 0 HA VAL A 83 9.811 -1.221 0.228 1.00 0.00 H new ATOM 0 HB VAL A 83 11.818 -3.423 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.368 -1.711 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.027 -1.482 -0.260 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.243 -0.435 0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.676 -2.722 2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.456 -1.503 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.096 -3.235 2.325 1.00 0.00 H new ATOM 1184 N GLU A 84 11.491 -2.677 -2.203 1.00 0.00 N ATOM 1185 CA GLU A 84 12.063 -2.451 -3.519 1.00 0.00 C ATOM 1186 C GLU A 84 10.990 -1.941 -4.483 1.00 0.00 C ATOM 1187 O GLU A 84 11.212 -0.973 -5.209 1.00 0.00 O ATOM 1188 CB GLU A 84 12.724 -3.722 -4.056 1.00 0.00 C ATOM 1189 CG GLU A 84 13.233 -3.514 -5.484 1.00 0.00 C ATOM 1190 CD GLU A 84 14.557 -4.248 -5.706 1.00 0.00 C ATOM 1191 OE1 GLU A 84 15.590 -3.704 -5.257 1.00 0.00 O ATOM 1192 OE2 GLU A 84 14.507 -5.336 -6.319 1.00 0.00 O ATOM 0 H GLU A 84 11.592 -3.629 -1.852 1.00 0.00 H new ATOM 0 HA GLU A 84 12.837 -1.689 -3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.553 -4.006 -3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.009 -4.544 -4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.490 -3.874 -6.195 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.367 -2.449 -5.675 1.00 0.00 H new ATOM 1199 N ALA A 85 9.850 -2.615 -4.460 1.00 0.00 N ATOM 1200 CA ALA A 85 8.742 -2.243 -5.323 1.00 0.00 C ATOM 1201 C ALA A 85 8.403 -0.767 -5.102 1.00 0.00 C ATOM 1202 O ALA A 85 8.356 0.011 -6.054 1.00 0.00 O ATOM 1203 CB ALA A 85 7.550 -3.162 -5.049 1.00 0.00 C ATOM 0 H ALA A 85 9.669 -3.417 -3.857 1.00 0.00 H new ATOM 0 HA ALA A 85 9.014 -2.366 -6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.719 -2.883 -5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.834 -4.195 -5.248 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.247 -3.064 -4.007 1.00 0.00 H new ATOM 1209 N PHE A 86 8.176 -0.427 -3.842 1.00 0.00 N ATOM 1210 CA PHE A 86 7.843 0.942 -3.485 1.00 0.00 C ATOM 1211 C PHE A 86 9.026 1.878 -3.740 1.00 0.00 C ATOM 1212 O PHE A 86 8.839 3.074 -3.958 1.00 0.00 O ATOM 1213 CB PHE A 86 7.517 0.947 -1.990 1.00 0.00 C ATOM 1214 CG PHE A 86 6.068 0.578 -1.668 1.00 0.00 C ATOM 1215 CD1 PHE A 86 5.059 1.422 -2.015 1.00 0.00 C ATOM 1216 CD2 PHE A 86 5.788 -0.592 -1.035 1.00 0.00 C ATOM 1217 CE1 PHE A 86 3.713 1.079 -1.716 1.00 0.00 C ATOM 1218 CE2 PHE A 86 4.443 -0.934 -0.735 1.00 0.00 C ATOM 1219 CZ PHE A 86 3.434 -0.091 -1.082 1.00 0.00 C ATOM 0 H PHE A 86 8.216 -1.075 -3.056 1.00 0.00 H new ATOM 0 HA PHE A 86 7.003 1.290 -4.086 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.181 0.248 -1.482 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.727 1.937 -1.586 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.281 2.352 -2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.589 -1.262 -0.760 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.911 1.748 -1.992 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.221 -1.863 -0.231 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.411 -0.351 -0.854 1.00 0.00 H new ATOM 1229 N LYS A 87 10.217 1.299 -3.705 1.00 0.00 N ATOM 1230 CA LYS A 87 11.430 2.067 -3.930 1.00 0.00 C ATOM 1231 C LYS A 87 11.577 2.352 -5.426 1.00 0.00 C ATOM 1232 O LYS A 87 11.811 3.493 -5.823 1.00 0.00 O ATOM 1233 CB LYS A 87 12.637 1.353 -3.318 1.00 0.00 C ATOM 1234 CG LYS A 87 13.947 1.925 -3.864 1.00 0.00 C ATOM 1235 CD LYS A 87 15.154 1.226 -3.237 1.00 0.00 C ATOM 1236 CE LYS A 87 15.628 1.966 -1.985 1.00 0.00 C ATOM 1237 NZ LYS A 87 17.070 1.725 -1.754 1.00 0.00 N ATOM 0 H LYS A 87 10.368 0.307 -3.524 1.00 0.00 H new ATOM 0 HA LYS A 87 11.370 3.031 -3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.614 1.458 -2.233 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.583 0.287 -3.537 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.976 1.807 -4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.994 2.994 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.891 0.200 -2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.966 1.174 -3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.445 3.035 -2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.055 1.633 -1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 17.375 2.235 -0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 17.236 0.706 -1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 17.614 2.064 -2.573 1.00 0.00 H new ATOM 1251 N THR A 88 11.434 1.297 -6.214 1.00 0.00 N ATOM 1252 CA THR A 88 11.549 1.420 -7.658 1.00 0.00 C ATOM 1253 C THR A 88 10.247 1.962 -8.251 1.00 0.00 C ATOM 1254 O THR A 88 10.194 2.304 -9.432 1.00 0.00 O ATOM 1255 CB THR A 88 11.951 0.055 -8.218 1.00 0.00 C ATOM 1256 OG1 THR A 88 10.998 -0.845 -7.659 1.00 0.00 O ATOM 1257 CG2 THR A 88 13.292 -0.433 -7.666 1.00 0.00 C ATOM 0 H THR A 88 11.240 0.353 -5.880 1.00 0.00 H new ATOM 0 HA THR A 88 12.320 2.140 -7.935 1.00 0.00 H new ATOM 0 HB THR A 88 12.005 0.111 -9.305 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.353 -1.222 -6.827 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.530 -1.406 -8.096 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.074 0.280 -7.927 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.229 -0.521 -6.581 1.00 0.00 H new ATOM 1265 N ALA A 89 9.228 2.022 -7.406 1.00 0.00 N ATOM 1266 CA ALA A 89 7.930 2.516 -7.832 1.00 0.00 C ATOM 1267 C ALA A 89 8.065 3.973 -8.279 1.00 0.00 C ATOM 1268 O ALA A 89 8.886 4.717 -7.744 1.00 0.00 O ATOM 1269 CB ALA A 89 6.920 2.346 -6.696 1.00 0.00 C ATOM 0 H ALA A 89 9.275 1.736 -6.428 1.00 0.00 H new ATOM 0 HA ALA A 89 7.562 1.943 -8.683 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.946 2.717 -7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.839 1.291 -6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.254 2.909 -5.825 1.00 0.00 H new ATOM 1275 N LYS A 90 7.247 4.338 -9.255 1.00 0.00 N ATOM 1276 CA LYS A 90 7.264 5.693 -9.779 1.00 0.00 C ATOM 1277 C LYS A 90 5.933 6.376 -9.461 1.00 0.00 C ATOM 1278 O LYS A 90 4.903 5.713 -9.344 1.00 0.00 O ATOM 1279 CB LYS A 90 7.611 5.686 -11.269 1.00 0.00 C ATOM 1280 CG LYS A 90 9.119 5.834 -11.482 1.00 0.00 C ATOM 1281 CD LYS A 90 9.597 7.227 -11.069 1.00 0.00 C ATOM 1282 CE LYS A 90 9.827 8.114 -12.295 1.00 0.00 C ATOM 1283 NZ LYS A 90 9.401 9.504 -12.017 1.00 0.00 N ATOM 0 H LYS A 90 6.568 3.719 -9.697 1.00 0.00 H new ATOM 0 HA LYS A 90 8.046 6.279 -9.295 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.266 4.757 -11.722 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.088 6.499 -11.772 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.648 5.077 -10.902 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.361 5.659 -12.530 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.858 7.690 -10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.521 7.144 -10.498 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.882 8.099 -12.569 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.271 7.720 -13.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.564 10.092 -12.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.389 9.516 -11.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.950 9.882 -11.219 1.00 0.00 H new ATOM 1297 N GLU A 91 5.996 7.693 -9.329 1.00 0.00 N ATOM 1298 CA GLU A 91 4.808 8.473 -9.027 1.00 0.00 C ATOM 1299 C GLU A 91 4.129 8.929 -10.320 1.00 0.00 C ATOM 1300 O GLU A 91 4.801 9.292 -11.284 1.00 0.00 O ATOM 1301 CB GLU A 91 5.149 9.668 -8.135 1.00 0.00 C ATOM 1302 CG GLU A 91 6.126 9.266 -7.028 1.00 0.00 C ATOM 1303 CD GLU A 91 7.567 9.598 -7.421 1.00 0.00 C ATOM 1304 OE1 GLU A 91 7.952 10.771 -7.227 1.00 0.00 O ATOM 1305 OE2 GLU A 91 8.251 8.672 -7.907 1.00 0.00 O ATOM 0 H GLU A 91 6.852 8.240 -9.426 1.00 0.00 H new ATOM 0 HA GLU A 91 4.111 7.840 -8.478 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.585 10.464 -8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.237 10.068 -7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.868 9.785 -6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.036 8.198 -6.829 1.00 0.00 H new ATOM 1312 N PRO A 92 2.770 8.896 -10.298 1.00 0.00 N ATOM 1313 CA PRO A 92 2.051 8.453 -9.115 1.00 0.00 C ATOM 1314 C PRO A 92 2.125 6.932 -8.966 1.00 0.00 C ATOM 1315 O PRO A 92 2.146 6.207 -9.959 1.00 0.00 O ATOM 1316 CB PRO A 92 0.631 8.962 -9.304 1.00 0.00 C ATOM 1317 CG PRO A 92 0.491 9.265 -10.787 1.00 0.00 C ATOM 1318 CD PRO A 92 1.884 9.277 -11.394 1.00 0.00 C ATOM 0 HA PRO A 92 2.480 8.842 -8.192 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.097 8.215 -8.988 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.453 9.855 -8.704 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.131 8.513 -11.273 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.002 10.228 -10.935 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.959 8.577 -12.226 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.138 10.263 -11.784 1.00 0.00 H new ATOM 1326 N ILE A 93 2.163 6.493 -7.716 1.00 0.00 N ATOM 1327 CA ILE A 93 2.235 5.072 -7.424 1.00 0.00 C ATOM 1328 C ILE A 93 0.831 4.548 -7.112 1.00 0.00 C ATOM 1329 O ILE A 93 0.241 4.912 -6.096 1.00 0.00 O ATOM 1330 CB ILE A 93 3.252 4.804 -6.312 1.00 0.00 C ATOM 1331 CG1 ILE A 93 4.615 5.406 -6.659 1.00 0.00 C ATOM 1332 CG2 ILE A 93 3.348 3.308 -6.006 1.00 0.00 C ATOM 1333 CD1 ILE A 93 5.409 5.732 -5.393 1.00 0.00 C ATOM 0 H ILE A 93 2.145 7.097 -6.894 1.00 0.00 H new ATOM 0 HA ILE A 93 2.595 4.522 -8.294 1.00 0.00 H new ATOM 0 HB ILE A 93 2.904 5.297 -5.404 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.179 4.707 -7.276 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.477 6.312 -7.249 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.077 3.145 -5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.374 2.939 -5.685 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.661 2.773 -6.902 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.374 6.159 -5.668 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.853 6.450 -4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.567 4.820 -4.817 1.00 0.00 H new ATOM 1345 N VAL A 94 0.338 3.703 -8.005 1.00 0.00 N ATOM 1346 CA VAL A 94 -0.985 3.126 -7.839 1.00 0.00 C ATOM 1347 C VAL A 94 -0.893 1.908 -6.917 1.00 0.00 C ATOM 1348 O VAL A 94 -0.332 0.880 -7.294 1.00 0.00 O ATOM 1349 CB VAL A 94 -1.588 2.796 -9.206 1.00 0.00 C ATOM 1350 CG1 VAL A 94 -3.017 2.270 -9.062 1.00 0.00 C ATOM 1351 CG2 VAL A 94 -1.542 4.012 -10.133 1.00 0.00 C ATOM 0 H VAL A 94 0.831 3.404 -8.846 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.657 3.842 -7.367 1.00 0.00 H new ATOM 0 HB VAL A 94 -0.985 2.008 -9.657 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.422 2.043 -10.048 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.012 1.365 -8.455 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.636 3.027 -8.580 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.977 3.751 -11.098 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.110 4.830 -9.689 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.507 4.323 -10.274 1.00 0.00 H new ATOM 1361 N VAL A 95 -1.452 2.065 -5.725 1.00 0.00 N ATOM 1362 CA VAL A 95 -1.440 0.991 -4.746 1.00 0.00 C ATOM 1363 C VAL A 95 -2.877 0.546 -4.467 1.00 0.00 C ATOM 1364 O VAL A 95 -3.809 1.341 -4.576 1.00 0.00 O ATOM 1365 CB VAL A 95 -0.697 1.440 -3.487 1.00 0.00 C ATOM 1366 CG1 VAL A 95 0.196 0.320 -2.948 1.00 0.00 C ATOM 1367 CG2 VAL A 95 0.116 2.709 -3.752 1.00 0.00 C ATOM 0 H VAL A 95 -1.916 2.919 -5.416 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.902 0.126 -5.133 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.441 1.672 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.713 0.666 -2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.417 -0.547 -2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.929 0.043 -3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.634 3.006 -2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.846 2.516 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.553 3.510 -4.067 1.00 0.00 H new ATOM 1377 N GLN A 96 -3.010 -0.723 -4.111 1.00 0.00 N ATOM 1378 CA GLN A 96 -4.318 -1.284 -3.815 1.00 0.00 C ATOM 1379 C GLN A 96 -4.264 -2.102 -2.523 1.00 0.00 C ATOM 1380 O GLN A 96 -3.257 -2.746 -2.233 1.00 0.00 O ATOM 1381 CB GLN A 96 -4.827 -2.133 -4.981 1.00 0.00 C ATOM 1382 CG GLN A 96 -6.001 -3.014 -4.546 1.00 0.00 C ATOM 1383 CD GLN A 96 -6.992 -3.212 -5.694 1.00 0.00 C ATOM 1384 OE1 GLN A 96 -8.130 -2.539 -5.550 1.00 0.00 O flip ATOM 1385 NE2 GLN A 96 -6.741 -3.930 -6.649 1.00 0.00 N flip ATOM 0 H GLN A 96 -2.234 -1.379 -4.021 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.021 -0.463 -3.673 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.138 -1.484 -5.799 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.019 -2.759 -5.360 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.629 -3.982 -4.211 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.509 -2.556 -3.697 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.847 -4.419 -6.698 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.425 -4.041 -7.398 1.00 0.00 H new ATOM 1394 N VAL A 97 -5.361 -2.049 -1.781 1.00 0.00 N ATOM 1395 CA VAL A 97 -5.452 -2.777 -0.527 1.00 0.00 C ATOM 1396 C VAL A 97 -6.759 -3.572 -0.497 1.00 0.00 C ATOM 1397 O VAL A 97 -7.658 -3.325 -1.299 1.00 0.00 O ATOM 1398 CB VAL A 97 -5.313 -1.810 0.651 1.00 0.00 C ATOM 1399 CG1 VAL A 97 -3.883 -1.274 0.754 1.00 0.00 C ATOM 1400 CG2 VAL A 97 -6.321 -0.664 0.541 1.00 0.00 C ATOM 0 H VAL A 97 -6.194 -1.513 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.634 -3.493 -0.441 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.531 -2.362 1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.811 -0.589 1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.193 -2.105 0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.625 -0.746 -0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.201 0.009 1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.148 -0.115 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.333 -1.069 0.539 1.00 0.00 H new ATOM 1410 N LEU A 98 -6.823 -4.509 0.437 1.00 0.00 N ATOM 1411 CA LEU A 98 -8.005 -5.341 0.583 1.00 0.00 C ATOM 1412 C LEU A 98 -8.697 -5.011 1.907 1.00 0.00 C ATOM 1413 O LEU A 98 -8.136 -5.239 2.978 1.00 0.00 O ATOM 1414 CB LEU A 98 -7.641 -6.820 0.431 1.00 0.00 C ATOM 1415 CG LEU A 98 -7.716 -7.387 -0.988 1.00 0.00 C ATOM 1416 CD1 LEU A 98 -7.112 -8.791 -1.049 1.00 0.00 C ATOM 1417 CD2 LEU A 98 -9.153 -7.358 -1.514 1.00 0.00 C ATOM 0 H LEU A 98 -6.075 -4.711 1.101 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.720 -5.129 -0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.628 -6.965 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.303 -7.404 1.070 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.120 -6.751 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.178 -9.171 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.066 -8.751 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.661 -9.453 -0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.179 -7.766 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.791 -7.957 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.514 -6.330 -1.529 1.00 0.00 H new ATOM 1429 N ARG A 99 -9.904 -4.478 1.790 1.00 0.00 N ATOM 1430 CA ARG A 99 -10.678 -4.114 2.964 1.00 0.00 C ATOM 1431 C ARG A 99 -11.936 -4.979 3.060 1.00 0.00 C ATOM 1432 O ARG A 99 -12.584 -5.254 2.051 1.00 0.00 O ATOM 1433 CB ARG A 99 -11.084 -2.639 2.921 1.00 0.00 C ATOM 1434 CG ARG A 99 -10.272 -1.818 3.925 1.00 0.00 C ATOM 1435 CD ARG A 99 -10.666 -0.340 3.870 1.00 0.00 C ATOM 1436 NE ARG A 99 -9.510 0.476 3.438 1.00 0.00 N ATOM 1437 CZ ARG A 99 -9.614 1.687 2.874 1.00 0.00 C ATOM 1438 NH1 ARG A 99 -10.822 2.229 2.670 1.00 0.00 N ATOM 1439 NH2 ARG A 99 -8.510 2.356 2.514 1.00 0.00 N ATOM 0 H ARG A 99 -10.365 -4.289 0.900 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.050 -4.281 3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.932 -2.245 1.916 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.147 -2.544 3.143 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.434 -2.204 4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.208 -1.923 3.711 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.497 -0.202 3.179 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.009 -0.010 4.851 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.575 0.093 3.578 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.662 1.720 2.944 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.901 3.151 2.241 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.590 1.943 2.669 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.590 3.278 2.085 1.00 0.00 H new ATOM 1453 N ARG A 100 -12.245 -5.385 4.283 1.00 0.00 N ATOM 1454 CA ARG A 100 -13.414 -6.213 4.524 1.00 0.00 C ATOM 1455 C ARG A 100 -14.638 -5.621 3.822 1.00 0.00 C ATOM 1456 O ARG A 100 -14.578 -4.513 3.291 1.00 0.00 O ATOM 1457 CB ARG A 100 -13.703 -6.336 6.021 1.00 0.00 C ATOM 1458 CG ARG A 100 -14.192 -5.006 6.597 1.00 0.00 C ATOM 1459 CD ARG A 100 -13.228 -4.482 7.663 1.00 0.00 C ATOM 1460 NE ARG A 100 -12.520 -3.284 7.160 1.00 0.00 N ATOM 1461 CZ ARG A 100 -11.734 -2.504 7.915 1.00 0.00 C ATOM 1462 NH1 ARG A 100 -11.551 -2.792 9.211 1.00 0.00 N ATOM 1463 NH2 ARG A 100 -11.131 -1.437 7.374 1.00 0.00 N ATOM 0 H ARG A 100 -11.706 -5.156 5.118 1.00 0.00 H new ATOM 0 HA ARG A 100 -13.206 -7.205 4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -14.455 -7.107 6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.801 -6.653 6.544 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -14.288 -4.272 5.797 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -15.183 -5.136 7.031 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -13.777 -4.235 8.572 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -12.508 -5.257 7.926 1.00 0.00 H new ATOM 0 HE ARG A 100 -12.637 -3.036 6.178 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -12.010 -3.605 9.623 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -10.953 -2.199 9.786 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -11.270 -1.218 6.387 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -10.533 -0.843 7.949 1.00 0.00 H new ATOM 1477 N THR A 101 -15.721 -6.385 3.844 1.00 0.00 N ATOM 1478 CA THR A 101 -16.957 -5.949 3.216 1.00 0.00 C ATOM 1479 C THR A 101 -18.053 -5.766 4.268 1.00 0.00 C ATOM 1480 O THR A 101 -18.426 -6.717 4.953 1.00 0.00 O ATOM 1481 CB THR A 101 -17.320 -6.965 2.131 1.00 0.00 C ATOM 1482 OG1 THR A 101 -18.353 -6.325 1.388 1.00 0.00 O ATOM 1483 CG2 THR A 101 -17.991 -8.217 2.702 1.00 0.00 C ATOM 0 H THR A 101 -15.768 -7.303 4.287 1.00 0.00 H new ATOM 0 HA THR A 101 -16.838 -4.975 2.742 1.00 0.00 H new ATOM 0 HB THR A 101 -16.420 -7.252 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 101 -18.756 -6.968 0.767 1.00 0.00 H new ATOM 0 HG21 THR A 101 -18.228 -8.905 1.890 1.00 0.00 H new ATOM 0 HG22 THR A 101 -17.315 -8.704 3.405 1.00 0.00 H new ATOM 0 HG23 THR A 101 -18.909 -7.935 3.218 1.00 0.00 H new ATOM 1491 N SER A 102 -18.537 -4.536 4.363 1.00 0.00 N ATOM 1492 CA SER A 102 -19.583 -4.216 5.319 1.00 0.00 C ATOM 1493 C SER A 102 -20.305 -2.935 4.896 1.00 0.00 C ATOM 1494 O SER A 102 -21.533 -2.898 4.844 1.00 0.00 O ATOM 1495 CB SER A 102 -19.011 -4.062 6.730 1.00 0.00 C ATOM 1496 OG SER A 102 -18.626 -5.314 7.290 1.00 0.00 O ATOM 0 H SER A 102 -18.224 -3.750 3.794 1.00 0.00 H new ATOM 0 HA SER A 102 -20.297 -5.040 5.333 1.00 0.00 H new ATOM 0 HB2 SER A 102 -18.148 -3.397 6.700 1.00 0.00 H new ATOM 0 HB3 SER A 102 -19.754 -3.591 7.373 1.00 0.00 H new ATOM 0 HG SER A 102 -18.644 -6.003 6.594 1.00 0.00 H new ATOM 1502 N GLY A 103 -19.510 -1.915 4.605 1.00 0.00 N ATOM 1503 CA GLY A 103 -20.058 -0.635 4.188 1.00 0.00 C ATOM 1504 C GLY A 103 -19.753 0.453 5.219 1.00 0.00 C ATOM 1505 O GLY A 103 -18.799 0.337 5.987 1.00 0.00 O ATOM 0 H GLY A 103 -18.492 -1.949 4.650 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -19.639 -0.353 3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -21.136 -0.723 4.055 1.00 0.00 H new ATOM 1509 N PRO A 104 -20.603 1.515 5.202 1.00 0.00 N ATOM 1510 CA PRO A 104 -20.434 2.624 6.125 1.00 0.00 C ATOM 1511 C PRO A 104 -20.889 2.238 7.534 1.00 0.00 C ATOM 1512 O PRO A 104 -21.422 1.149 7.742 1.00 0.00 O ATOM 1513 CB PRO A 104 -21.248 3.760 5.529 1.00 0.00 C ATOM 1514 CG PRO A 104 -22.212 3.113 4.548 1.00 0.00 C ATOM 1515 CD PRO A 104 -21.743 1.687 4.306 1.00 0.00 C ATOM 0 HA PRO A 104 -19.391 2.918 6.242 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -21.787 4.303 6.305 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -20.603 4.480 5.025 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -23.226 3.119 4.949 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -22.236 3.671 3.612 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -22.532 0.968 4.526 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -21.455 1.536 3.266 1.00 0.00 H new ATOM 1523 N SER A 105 -20.661 3.152 8.466 1.00 0.00 N ATOM 1524 CA SER A 105 -21.040 2.921 9.850 1.00 0.00 C ATOM 1525 C SER A 105 -22.460 3.436 10.096 1.00 0.00 C ATOM 1526 O SER A 105 -22.854 4.465 9.549 1.00 0.00 O ATOM 1527 CB SER A 105 -20.058 3.594 10.810 1.00 0.00 C ATOM 1528 OG SER A 105 -20.016 5.006 10.629 1.00 0.00 O ATOM 0 H SER A 105 -20.219 4.054 8.290 1.00 0.00 H new ATOM 0 HA SER A 105 -21.011 1.848 10.038 1.00 0.00 H new ATOM 0 HB2 SER A 105 -20.344 3.369 11.837 1.00 0.00 H new ATOM 0 HB3 SER A 105 -19.061 3.179 10.658 1.00 0.00 H new ATOM 0 HG SER A 105 -19.379 5.398 11.262 1.00 0.00 H new ATOM 1534 N SER A 106 -23.189 2.697 10.919 1.00 0.00 N ATOM 1535 CA SER A 106 -24.556 3.066 11.244 1.00 0.00 C ATOM 1536 C SER A 106 -24.593 3.813 12.579 1.00 0.00 C ATOM 1537 O SER A 106 -24.732 3.198 13.635 1.00 0.00 O ATOM 1538 CB SER A 106 -25.461 1.834 11.301 1.00 0.00 C ATOM 1539 OG SER A 106 -26.825 2.162 11.054 1.00 0.00 O ATOM 0 H SER A 106 -22.859 1.844 11.371 1.00 0.00 H new ATOM 0 HA SER A 106 -24.929 3.721 10.457 1.00 0.00 H new ATOM 0 HB2 SER A 106 -25.125 1.103 10.566 1.00 0.00 H new ATOM 0 HB3 SER A 106 -25.373 1.364 12.281 1.00 0.00 H new ATOM 0 HG SER A 106 -27.370 1.349 11.097 1.00 0.00 H new ATOM 1545 N GLY A 107 -24.465 5.129 12.488 1.00 0.00 N ATOM 1546 CA GLY A 107 -24.482 5.966 13.676 1.00 0.00 C ATOM 1547 C GLY A 107 -25.680 6.919 13.658 1.00 0.00 C ATOM 1548 O GLY A 107 -25.547 8.095 13.993 1.00 0.00 O ATOM 0 H GLY A 107 -24.349 5.636 11.610 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -24.525 5.339 14.567 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -23.557 6.540 13.734 1.00 0.00 H new TER 1552 GLY A 107