USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 860 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 57 HIS : no HD1:sc= -7.68! C(o=-7.4!,f=-16!) USER MOD Set 1.2: A 74 SER OG : rot -177:sc= 1.08 USER MOD Set 1.3: A 78 THR OG1 : rot 120:sc= -0.754 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.073 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00111 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 MET CE :methyl -149:sc= -0.0207 (180deg=-0.187) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -83:sc= 0.596 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -2.97! C(o=-3!,f=-5.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 76:sc= 1.19 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.9!) USER MOD Single : A 70 GLN : amide:sc= -5.07! C(o=-5.1!,f=-7!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.0267 X(o=-0.027,f=0) USER MOD Single : A 81 ASN : amide:sc= -1.41! C(o=-1.4!,f=-4.1!) USER MOD Single : A 82 SER OG : rot 60:sc= 0.0429 USER MOD Single : A 83 ASN : amide:sc= -0.0636 X(o=-0.064,f=-0.5) USER MOD Single : A 89 THR OG1 : rot -24:sc= 0.00119 USER MOD Single : A 90 SER OG : rot 27:sc= 0.172 USER MOD Single : A 92 ASN : amide:sc= -0.704! C(o=-0.7!,f=-4.2!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 130:sc= -3.4 USER MOD Single : A 106 SER OG : rot 180:sc= -0.0526 USER MOD Single : A 110 ASN :FLIP amide:sc= -0.211 F(o=-1.6,f=-0.21) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.597 -15.457 -7.165 1.00 0.00 N ATOM 2 CA GLY A 1 -33.970 -14.248 -6.659 1.00 0.00 C ATOM 3 C GLY A 1 -34.338 -13.038 -7.521 1.00 0.00 C ATOM 4 O GLY A 1 -34.738 -13.191 -8.674 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.280 -15.813 -6.466 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.092 -15.245 -8.055 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.869 -16.180 -7.337 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.284 -14.075 -5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.887 -14.374 -6.645 1.00 0.00 H new ATOM 8 N SER A 2 -34.189 -11.863 -6.928 1.00 0.00 N ATOM 9 CA SER A 2 -34.501 -10.627 -7.626 1.00 0.00 C ATOM 10 C SER A 2 -33.348 -9.633 -7.471 1.00 0.00 C ATOM 11 O SER A 2 -33.429 -8.704 -6.669 1.00 0.00 O ATOM 12 CB SER A 2 -35.803 -10.015 -7.107 1.00 0.00 C ATOM 13 OG SER A 2 -36.012 -8.699 -7.612 1.00 0.00 O ATOM 0 H SER A 2 -33.856 -11.740 -5.972 1.00 0.00 H new ATOM 0 HA SER A 2 -34.635 -10.856 -8.683 1.00 0.00 H new ATOM 0 HB2 SER A 2 -36.641 -10.650 -7.392 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.781 -9.986 -6.018 1.00 0.00 H new ATOM 0 HG SER A 2 -36.854 -8.343 -7.259 1.00 0.00 H new ATOM 19 N SER A 3 -32.302 -9.863 -8.250 1.00 0.00 N ATOM 20 CA SER A 3 -31.134 -8.998 -8.209 1.00 0.00 C ATOM 21 C SER A 3 -30.584 -8.929 -6.783 1.00 0.00 C ATOM 22 O SER A 3 -31.242 -9.363 -5.839 1.00 0.00 O ATOM 23 CB SER A 3 -31.469 -7.595 -8.718 1.00 0.00 C ATOM 24 OG SER A 3 -30.469 -7.094 -9.600 1.00 0.00 O ATOM 0 H SER A 3 -32.238 -10.635 -8.913 1.00 0.00 H new ATOM 0 HA SER A 3 -30.373 -9.420 -8.865 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.429 -7.616 -9.233 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.577 -6.918 -7.870 1.00 0.00 H new ATOM 0 HG SER A 3 -30.721 -6.197 -9.904 1.00 0.00 H new ATOM 30 N GLY A 4 -29.383 -8.380 -6.672 1.00 0.00 N ATOM 31 CA GLY A 4 -28.738 -8.248 -5.377 1.00 0.00 C ATOM 32 C GLY A 4 -27.646 -9.306 -5.199 1.00 0.00 C ATOM 33 O GLY A 4 -27.907 -10.393 -4.686 1.00 0.00 O ATOM 0 H GLY A 4 -28.840 -8.022 -7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.304 -7.253 -5.282 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.480 -8.349 -4.585 1.00 0.00 H new ATOM 37 N SER A 5 -26.446 -8.950 -5.633 1.00 0.00 N ATOM 38 CA SER A 5 -25.313 -9.854 -5.527 1.00 0.00 C ATOM 39 C SER A 5 -24.026 -9.130 -5.928 1.00 0.00 C ATOM 40 O SER A 5 -23.910 -8.638 -7.049 1.00 0.00 O ATOM 41 CB SER A 5 -25.517 -11.095 -6.399 1.00 0.00 C ATOM 42 OG SER A 5 -24.357 -11.922 -6.429 1.00 0.00 O ATOM 0 H SER A 5 -26.233 -8.048 -6.059 1.00 0.00 H new ATOM 0 HA SER A 5 -25.231 -10.180 -4.490 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.362 -11.670 -6.020 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.770 -10.788 -7.414 1.00 0.00 H new ATOM 0 HG SER A 5 -24.527 -12.704 -6.994 1.00 0.00 H new ATOM 48 N SER A 6 -23.093 -9.087 -4.989 1.00 0.00 N ATOM 49 CA SER A 6 -21.819 -8.431 -5.229 1.00 0.00 C ATOM 50 C SER A 6 -20.877 -8.667 -4.047 1.00 0.00 C ATOM 51 O SER A 6 -21.278 -8.526 -2.892 1.00 0.00 O ATOM 52 CB SER A 6 -22.007 -6.932 -5.467 1.00 0.00 C ATOM 53 OG SER A 6 -21.185 -6.452 -6.527 1.00 0.00 O ATOM 0 H SER A 6 -23.194 -9.496 -4.060 1.00 0.00 H new ATOM 0 HA SER A 6 -21.378 -8.861 -6.128 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.053 -6.730 -5.699 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.773 -6.388 -4.552 1.00 0.00 H new ATOM 0 HG SER A 6 -21.336 -5.491 -6.649 1.00 0.00 H new ATOM 59 N GLY A 7 -19.643 -9.021 -4.375 1.00 0.00 N ATOM 60 CA GLY A 7 -18.642 -9.278 -3.354 1.00 0.00 C ATOM 61 C GLY A 7 -17.336 -9.772 -3.979 1.00 0.00 C ATOM 62 O GLY A 7 -17.317 -10.797 -4.659 1.00 0.00 O ATOM 0 H GLY A 7 -19.314 -9.136 -5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.455 -8.367 -2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.017 -10.022 -2.651 1.00 0.00 H new ATOM 66 N MET A 8 -16.274 -9.020 -3.727 1.00 0.00 N ATOM 67 CA MET A 8 -14.967 -9.368 -4.257 1.00 0.00 C ATOM 68 C MET A 8 -14.127 -10.097 -3.206 1.00 0.00 C ATOM 69 O MET A 8 -13.753 -9.513 -2.190 1.00 0.00 O ATOM 70 CB MET A 8 -14.240 -8.097 -4.700 1.00 0.00 C ATOM 71 CG MET A 8 -14.052 -8.075 -6.218 1.00 0.00 C ATOM 72 SD MET A 8 -14.399 -6.443 -6.853 1.00 0.00 S ATOM 73 CE MET A 8 -16.179 -6.429 -6.714 1.00 0.00 C ATOM 0 H MET A 8 -16.293 -8.171 -3.162 1.00 0.00 H new ATOM 0 HA MET A 8 -15.106 -10.033 -5.110 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.808 -7.221 -4.387 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.269 -8.039 -4.209 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.031 -8.363 -6.470 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.714 -8.804 -6.685 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.601 -5.809 -7.505 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.559 -7.446 -6.809 1.00 0.00 H new ATOM 0 HE3 MET A 8 -16.465 -6.024 -5.743 1.00 0.00 H new ATOM 83 N VAL A 9 -13.853 -11.363 -3.488 1.00 0.00 N ATOM 84 CA VAL A 9 -13.064 -12.178 -2.580 1.00 0.00 C ATOM 85 C VAL A 9 -11.799 -11.413 -2.184 1.00 0.00 C ATOM 86 O VAL A 9 -11.287 -11.583 -1.079 1.00 0.00 O ATOM 87 CB VAL A 9 -12.766 -13.535 -3.220 1.00 0.00 C ATOM 88 CG1 VAL A 9 -14.056 -14.219 -3.680 1.00 0.00 C ATOM 89 CG2 VAL A 9 -11.778 -13.391 -4.379 1.00 0.00 C ATOM 0 H VAL A 9 -14.163 -11.844 -4.332 1.00 0.00 H new ATOM 0 HA VAL A 9 -13.622 -12.380 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.303 -14.168 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.816 -15.182 -4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -14.712 -14.373 -2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -14.560 -13.590 -4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.584 -14.371 -4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.201 -12.733 -5.138 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.844 -12.967 -4.010 1.00 0.00 H new ATOM 99 N THR A 10 -11.331 -10.588 -3.109 1.00 0.00 N ATOM 100 CA THR A 10 -10.136 -9.797 -2.871 1.00 0.00 C ATOM 101 C THR A 10 -10.504 -8.451 -2.241 1.00 0.00 C ATOM 102 O THR A 10 -11.138 -7.615 -2.882 1.00 0.00 O ATOM 103 CB THR A 10 -9.386 -9.662 -4.197 1.00 0.00 C ATOM 104 OG1 THR A 10 -9.440 -10.970 -4.761 1.00 0.00 O ATOM 105 CG2 THR A 10 -7.891 -9.403 -4.001 1.00 0.00 C ATOM 0 H THR A 10 -11.758 -10.450 -4.025 1.00 0.00 H new ATOM 0 HA THR A 10 -9.475 -10.286 -2.156 1.00 0.00 H new ATOM 0 HB THR A 10 -9.822 -8.850 -4.779 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.978 -10.973 -5.625 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.406 -9.315 -4.973 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.752 -8.478 -3.442 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.448 -10.231 -3.448 1.00 0.00 H new ATOM 113 N PRO A 11 -10.078 -8.280 -0.961 1.00 0.00 N ATOM 114 CA PRO A 11 -10.356 -7.051 -0.238 1.00 0.00 C ATOM 115 C PRO A 11 -9.457 -5.913 -0.726 1.00 0.00 C ATOM 116 O PRO A 11 -8.279 -6.126 -1.009 1.00 0.00 O ATOM 117 CB PRO A 11 -10.135 -7.397 1.225 1.00 0.00 C ATOM 118 CG PRO A 11 -9.297 -8.665 1.232 1.00 0.00 C ATOM 119 CD PRO A 11 -9.324 -9.249 -0.171 1.00 0.00 C ATOM 0 HA PRO A 11 -11.371 -6.689 -0.399 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.622 -6.587 1.745 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.084 -7.554 1.737 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.273 -8.444 1.534 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.694 -9.381 1.951 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.316 -9.382 -0.564 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.803 -10.228 -0.183 1.00 0.00 H new ATOM 127 N SER A 12 -10.046 -4.729 -0.809 1.00 0.00 N ATOM 128 CA SER A 12 -9.313 -3.558 -1.257 1.00 0.00 C ATOM 129 C SER A 12 -8.096 -3.326 -0.359 1.00 0.00 C ATOM 130 O SER A 12 -8.060 -3.798 0.776 1.00 0.00 O ATOM 131 CB SER A 12 -10.209 -2.318 -1.266 1.00 0.00 C ATOM 132 OG SER A 12 -10.995 -2.236 -2.452 1.00 0.00 O ATOM 0 H SER A 12 -11.023 -4.556 -0.573 1.00 0.00 H new ATOM 0 HA SER A 12 -8.974 -3.737 -2.278 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.866 -2.339 -0.396 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.592 -1.424 -1.178 1.00 0.00 H new ATOM 0 HG SER A 12 -10.464 -1.831 -3.169 1.00 0.00 H new ATOM 138 N LEU A 13 -7.130 -2.600 -0.902 1.00 0.00 N ATOM 139 CA LEU A 13 -5.915 -2.301 -0.164 1.00 0.00 C ATOM 140 C LEU A 13 -5.966 -0.853 0.329 1.00 0.00 C ATOM 141 O LEU A 13 -5.891 0.081 -0.468 1.00 0.00 O ATOM 142 CB LEU A 13 -4.681 -2.618 -1.011 1.00 0.00 C ATOM 143 CG LEU A 13 -3.371 -2.809 -0.244 1.00 0.00 C ATOM 144 CD1 LEU A 13 -2.427 -1.626 -0.469 1.00 0.00 C ATOM 145 CD2 LEU A 13 -3.637 -3.055 1.243 1.00 0.00 C ATOM 0 H LEU A 13 -7.164 -2.210 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.840 -2.937 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.880 -3.525 -1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.543 -1.812 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.873 -3.697 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.503 -1.787 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.200 -1.538 -1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.904 -0.709 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.689 -3.188 1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.167 -2.201 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.244 -3.952 1.360 1.00 0.00 H new ATOM 157 N ARG A 14 -6.094 -0.712 1.640 1.00 0.00 N ATOM 158 CA ARG A 14 -6.156 0.606 2.249 1.00 0.00 C ATOM 159 C ARG A 14 -4.894 0.871 3.072 1.00 0.00 C ATOM 160 O ARG A 14 -4.711 0.288 4.139 1.00 0.00 O ATOM 161 CB ARG A 14 -7.384 0.738 3.153 1.00 0.00 C ATOM 162 CG ARG A 14 -7.466 2.138 3.764 1.00 0.00 C ATOM 163 CD ARG A 14 -8.272 2.122 5.065 1.00 0.00 C ATOM 164 NE ARG A 14 -9.150 3.311 5.132 1.00 0.00 N ATOM 165 CZ ARG A 14 -9.764 3.730 6.247 1.00 0.00 C ATOM 166 NH1 ARG A 14 -9.599 3.059 7.395 1.00 0.00 N ATOM 167 NH2 ARG A 14 -10.542 4.820 6.213 1.00 0.00 N ATOM 0 H ARG A 14 -6.157 -1.489 2.298 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.230 1.339 1.446 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.287 0.535 2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.337 -0.007 3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.461 2.513 3.959 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.929 2.822 3.053 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.872 1.213 5.119 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.597 2.110 5.921 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.297 3.845 4.276 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.006 2.229 7.420 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.066 3.378 8.244 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.667 5.330 5.339 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.010 5.139 7.061 1.00 0.00 H new ATOM 181 N LEU A 15 -4.056 1.752 2.544 1.00 0.00 N ATOM 182 CA LEU A 15 -2.817 2.101 3.217 1.00 0.00 C ATOM 183 C LEU A 15 -3.058 3.306 4.128 1.00 0.00 C ATOM 184 O LEU A 15 -3.257 4.421 3.649 1.00 0.00 O ATOM 185 CB LEU A 15 -1.696 2.315 2.198 1.00 0.00 C ATOM 186 CG LEU A 15 -1.235 1.071 1.436 1.00 0.00 C ATOM 187 CD1 LEU A 15 -0.393 1.454 0.218 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.494 0.104 2.363 1.00 0.00 C ATOM 0 H LEU A 15 -4.211 2.234 1.658 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.485 1.281 3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.028 3.058 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.836 2.738 2.717 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.118 0.551 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.078 0.551 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.986 2.075 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.486 2.009 0.544 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.177 -0.772 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.381 0.601 2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.157 -0.206 3.170 1.00 0.00 H new ATOM 200 N VAL A 16 -3.032 3.041 5.426 1.00 0.00 N ATOM 201 CA VAL A 16 -3.246 4.090 6.409 1.00 0.00 C ATOM 202 C VAL A 16 -1.892 4.582 6.925 1.00 0.00 C ATOM 203 O VAL A 16 -1.072 3.787 7.382 1.00 0.00 O ATOM 204 CB VAL A 16 -4.164 3.584 7.523 1.00 0.00 C ATOM 205 CG1 VAL A 16 -4.310 4.630 8.630 1.00 0.00 C ATOM 206 CG2 VAL A 16 -5.530 3.179 6.967 1.00 0.00 C ATOM 0 H VAL A 16 -2.866 2.115 5.820 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.750 4.943 5.955 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.704 2.697 7.959 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.968 4.245 9.410 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.331 4.848 9.056 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.736 5.543 8.214 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.163 2.823 7.780 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.000 4.041 6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.403 2.384 6.232 1.00 0.00 H new ATOM 216 N PHE A 17 -1.700 5.889 6.836 1.00 0.00 N ATOM 217 CA PHE A 17 -0.460 6.497 7.289 1.00 0.00 C ATOM 218 C PHE A 17 -0.501 6.768 8.795 1.00 0.00 C ATOM 219 O PHE A 17 -0.887 7.854 9.223 1.00 0.00 O ATOM 220 CB PHE A 17 -0.316 7.827 6.547 1.00 0.00 C ATOM 221 CG PHE A 17 0.165 7.684 5.102 1.00 0.00 C ATOM 222 CD1 PHE A 17 1.490 7.522 4.839 1.00 0.00 C ATOM 223 CD2 PHE A 17 -0.732 7.719 4.080 1.00 0.00 C ATOM 224 CE1 PHE A 17 1.936 7.389 3.498 1.00 0.00 C ATOM 225 CE2 PHE A 17 -0.285 7.586 2.739 1.00 0.00 C ATOM 226 CZ PHE A 17 1.039 7.424 2.476 1.00 0.00 C ATOM 0 H PHE A 17 -2.383 6.545 6.457 1.00 0.00 H new ATOM 0 HA PHE A 17 0.377 5.828 7.090 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.278 8.339 6.550 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.384 8.461 7.091 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.202 7.495 5.650 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.784 7.848 4.289 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.988 7.260 3.289 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.997 7.614 1.927 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.379 7.323 1.456 1.00 0.00 H new ATOM 236 N VAL A 18 -0.096 5.762 9.556 1.00 0.00 N ATOM 237 CA VAL A 18 -0.081 5.878 11.004 1.00 0.00 C ATOM 238 C VAL A 18 1.051 6.817 11.424 1.00 0.00 C ATOM 239 O VAL A 18 0.944 7.513 12.433 1.00 0.00 O ATOM 240 CB VAL A 18 0.025 4.490 11.640 1.00 0.00 C ATOM 241 CG1 VAL A 18 -1.293 3.725 11.510 1.00 0.00 C ATOM 242 CG2 VAL A 18 1.182 3.696 11.030 1.00 0.00 C ATOM 0 H VAL A 18 0.224 4.863 9.197 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.014 6.313 11.362 1.00 0.00 H new ATOM 0 HB VAL A 18 0.231 4.622 12.702 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.190 2.742 11.970 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.086 4.279 12.012 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.543 3.608 10.456 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.236 2.713 11.499 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.018 3.578 9.959 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.118 4.230 11.197 1.00 0.00 H new ATOM 252 N LYS A 19 2.112 6.805 10.630 1.00 0.00 N ATOM 253 CA LYS A 19 3.263 7.647 10.907 1.00 0.00 C ATOM 254 C LYS A 19 3.748 8.285 9.604 1.00 0.00 C ATOM 255 O LYS A 19 3.082 8.186 8.574 1.00 0.00 O ATOM 256 CB LYS A 19 4.344 6.852 11.642 1.00 0.00 C ATOM 257 CG LYS A 19 3.852 6.402 13.019 1.00 0.00 C ATOM 258 CD LYS A 19 4.882 6.729 14.103 1.00 0.00 C ATOM 259 CE LYS A 19 4.735 5.789 15.300 1.00 0.00 C ATOM 260 NZ LYS A 19 5.971 5.790 16.115 1.00 0.00 N ATOM 0 H LYS A 19 2.198 6.225 9.795 1.00 0.00 H new ATOM 0 HA LYS A 19 2.987 8.461 11.578 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.626 5.981 11.050 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.239 7.465 11.754 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.907 6.894 13.250 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.659 5.329 13.008 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.888 6.645 13.691 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.757 7.761 14.429 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.888 6.100 15.912 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.523 4.778 14.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.854 5.147 16.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.771 5.472 15.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.157 6.752 16.463 1.00 0.00 H new ATOM 274 N GLY A 20 4.904 8.926 9.691 1.00 0.00 N ATOM 275 CA GLY A 20 5.487 9.581 8.531 1.00 0.00 C ATOM 276 C GLY A 20 4.987 11.021 8.406 1.00 0.00 C ATOM 277 O GLY A 20 4.298 11.523 9.293 1.00 0.00 O ATOM 0 H GLY A 20 5.453 9.006 10.547 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.574 9.576 8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.233 9.024 7.629 1.00 0.00 H new ATOM 281 N PRO A 21 5.363 11.663 7.268 1.00 0.00 N ATOM 282 CA PRO A 21 4.960 13.036 7.015 1.00 0.00 C ATOM 283 C PRO A 21 3.486 13.110 6.611 1.00 0.00 C ATOM 284 O PRO A 21 2.881 14.180 6.648 1.00 0.00 O ATOM 285 CB PRO A 21 5.900 13.527 5.926 1.00 0.00 C ATOM 286 CG PRO A 21 6.483 12.279 5.284 1.00 0.00 C ATOM 287 CD PRO A 21 6.178 11.101 6.195 1.00 0.00 C ATOM 0 HA PRO A 21 5.034 13.666 7.901 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.366 14.130 5.192 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.687 14.155 6.343 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.050 12.120 4.296 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.559 12.387 5.147 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.643 10.316 5.661 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.093 10.655 6.585 1.00 0.00 H new ATOM 295 N ARG A 22 2.951 11.958 6.234 1.00 0.00 N ATOM 296 CA ARG A 22 1.559 11.879 5.823 1.00 0.00 C ATOM 297 C ARG A 22 0.723 11.199 6.910 1.00 0.00 C ATOM 298 O ARG A 22 -0.379 10.723 6.643 1.00 0.00 O ATOM 299 CB ARG A 22 1.414 11.098 4.515 1.00 0.00 C ATOM 300 CG ARG A 22 1.193 12.045 3.334 1.00 0.00 C ATOM 301 CD ARG A 22 2.199 11.770 2.214 1.00 0.00 C ATOM 302 NE ARG A 22 1.541 11.911 0.896 1.00 0.00 N ATOM 303 CZ ARG A 22 2.192 12.179 -0.244 1.00 0.00 C ATOM 304 NH1 ARG A 22 3.523 12.336 -0.234 1.00 0.00 N ATOM 305 NH2 ARG A 22 1.513 12.290 -1.393 1.00 0.00 N ATOM 0 H ARG A 22 3.456 11.072 6.204 1.00 0.00 H new ATOM 0 HA ARG A 22 1.201 12.897 5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.309 10.499 4.343 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.576 10.405 4.592 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.178 11.927 2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.289 13.078 3.669 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.036 12.464 2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.608 10.765 2.320 1.00 0.00 H new ATOM 0 HE ARG A 22 0.528 11.797 0.853 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.040 12.251 0.641 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.019 12.540 -1.102 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.500 12.171 -1.400 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.009 12.494 -2.261 1.00 0.00 H new ATOM 319 N GLU A 23 1.280 11.175 8.112 1.00 0.00 N ATOM 320 CA GLU A 23 0.599 10.562 9.239 1.00 0.00 C ATOM 321 C GLU A 23 -0.807 11.145 9.392 1.00 0.00 C ATOM 322 O GLU A 23 -0.963 12.339 9.644 1.00 0.00 O ATOM 323 CB GLU A 23 1.407 10.734 10.527 1.00 0.00 C ATOM 324 CG GLU A 23 0.559 10.400 11.756 1.00 0.00 C ATOM 325 CD GLU A 23 1.394 10.475 13.036 1.00 0.00 C ATOM 326 OE1 GLU A 23 2.615 10.226 12.932 1.00 0.00 O ATOM 327 OE2 GLU A 23 0.793 10.780 14.088 1.00 0.00 O ATOM 0 H GLU A 23 2.195 11.570 8.330 1.00 0.00 H new ATOM 0 HA GLU A 23 0.508 9.493 9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.284 10.087 10.499 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.769 11.759 10.599 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.279 11.094 11.823 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.138 9.400 11.651 1.00 0.00 H new ATOM 334 N GLY A 24 -1.794 10.276 9.234 1.00 0.00 N ATOM 335 CA GLY A 24 -3.182 10.690 9.351 1.00 0.00 C ATOM 336 C GLY A 24 -3.903 10.578 8.006 1.00 0.00 C ATOM 337 O GLY A 24 -5.101 10.842 7.916 1.00 0.00 O ATOM 0 H GLY A 24 -1.660 9.286 9.026 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.689 10.071 10.092 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.230 11.719 9.709 1.00 0.00 H new ATOM 341 N ASP A 25 -3.143 10.186 6.994 1.00 0.00 N ATOM 342 CA ASP A 25 -3.694 10.036 5.658 1.00 0.00 C ATOM 343 C ASP A 25 -3.921 8.551 5.369 1.00 0.00 C ATOM 344 O ASP A 25 -3.298 7.692 5.990 1.00 0.00 O ATOM 345 CB ASP A 25 -2.733 10.583 4.601 1.00 0.00 C ATOM 346 CG ASP A 25 -2.845 12.086 4.340 1.00 0.00 C ATOM 347 OD1 ASP A 25 -3.279 12.793 5.275 1.00 0.00 O ATOM 348 OD2 ASP A 25 -2.494 12.494 3.212 1.00 0.00 O ATOM 0 H ASP A 25 -2.150 9.968 7.073 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.631 10.592 5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.712 10.358 4.909 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.907 10.053 3.665 1.00 0.00 H new ATOM 353 N ALA A 26 -4.814 8.295 4.424 1.00 0.00 N ATOM 354 CA ALA A 26 -5.130 6.928 4.045 1.00 0.00 C ATOM 355 C ALA A 26 -5.657 6.912 2.608 1.00 0.00 C ATOM 356 O ALA A 26 -6.292 7.868 2.165 1.00 0.00 O ATOM 357 CB ALA A 26 -6.133 6.341 5.040 1.00 0.00 C ATOM 0 H ALA A 26 -5.328 9.010 3.910 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.237 6.304 4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.370 5.316 4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.700 6.349 6.040 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.044 6.939 5.034 1.00 0.00 H new ATOM 363 N LEU A 27 -5.374 5.815 1.921 1.00 0.00 N ATOM 364 CA LEU A 27 -5.811 5.661 0.543 1.00 0.00 C ATOM 365 C LEU A 27 -6.493 4.302 0.378 1.00 0.00 C ATOM 366 O LEU A 27 -6.507 3.494 1.305 1.00 0.00 O ATOM 367 CB LEU A 27 -4.641 5.883 -0.418 1.00 0.00 C ATOM 368 CG LEU A 27 -3.852 7.180 -0.227 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.349 6.934 -0.372 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.350 8.270 -1.179 1.00 0.00 C ATOM 0 H LEU A 27 -4.848 5.024 2.292 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.550 6.422 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.952 5.044 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.025 5.862 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.023 7.537 0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.812 7.872 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.024 6.214 0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.139 6.541 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.773 9.181 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.229 7.936 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.404 8.470 -0.984 1.00 0.00 H new ATOM 382 N ASP A 28 -7.043 4.092 -0.809 1.00 0.00 N ATOM 383 CA ASP A 28 -7.726 2.845 -1.108 1.00 0.00 C ATOM 384 C ASP A 28 -7.575 2.530 -2.597 1.00 0.00 C ATOM 385 O ASP A 28 -7.535 3.437 -3.426 1.00 0.00 O ATOM 386 CB ASP A 28 -9.220 2.946 -0.795 1.00 0.00 C ATOM 387 CG ASP A 28 -9.998 3.932 -1.669 1.00 0.00 C ATOM 388 OD1 ASP A 28 -9.428 5.006 -1.959 1.00 0.00 O ATOM 389 OD2 ASP A 28 -11.146 3.590 -2.027 1.00 0.00 O ATOM 0 H ASP A 28 -7.029 4.765 -1.575 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.281 2.062 -0.494 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.666 1.957 -0.903 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.338 3.237 0.249 1.00 0.00 H new ATOM 394 N TYR A 29 -7.494 1.240 -2.891 1.00 0.00 N ATOM 395 CA TYR A 29 -7.349 0.794 -4.267 1.00 0.00 C ATOM 396 C TYR A 29 -8.118 -0.507 -4.505 1.00 0.00 C ATOM 397 O TYR A 29 -8.676 -1.082 -3.573 1.00 0.00 O ATOM 398 CB TYR A 29 -5.855 0.534 -4.470 1.00 0.00 C ATOM 399 CG TYR A 29 -4.982 1.784 -4.337 1.00 0.00 C ATOM 400 CD1 TYR A 29 -4.624 2.246 -3.087 1.00 0.00 C ATOM 401 CD2 TYR A 29 -4.553 2.449 -5.467 1.00 0.00 C ATOM 402 CE1 TYR A 29 -3.803 3.422 -2.962 1.00 0.00 C ATOM 403 CE2 TYR A 29 -3.732 3.626 -5.343 1.00 0.00 C ATOM 404 CZ TYR A 29 -3.397 4.054 -4.096 1.00 0.00 C ATOM 405 OH TYR A 29 -2.621 5.165 -3.978 1.00 0.00 O ATOM 0 H TYR A 29 -7.526 0.490 -2.200 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.741 1.542 -4.957 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.524 -0.207 -3.743 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.703 0.101 -5.459 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.960 1.725 -2.202 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.833 2.087 -6.445 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.516 3.794 -1.990 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.390 4.156 -6.220 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.406 5.510 -4.870 1.00 0.00 H new ATOM 415 N LYS A 30 -8.122 -0.933 -5.760 1.00 0.00 N ATOM 416 CA LYS A 30 -8.813 -2.155 -6.133 1.00 0.00 C ATOM 417 C LYS A 30 -7.826 -3.324 -6.102 1.00 0.00 C ATOM 418 O LYS A 30 -6.613 -3.117 -6.098 1.00 0.00 O ATOM 419 CB LYS A 30 -9.519 -1.982 -7.479 1.00 0.00 C ATOM 420 CG LYS A 30 -10.917 -1.390 -7.293 1.00 0.00 C ATOM 421 CD LYS A 30 -11.997 -2.446 -7.537 1.00 0.00 C ATOM 422 CE LYS A 30 -13.395 -1.838 -7.416 1.00 0.00 C ATOM 423 NZ LYS A 30 -13.842 -1.302 -8.720 1.00 0.00 N ATOM 0 H LYS A 30 -7.658 -0.453 -6.531 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.600 -2.382 -5.414 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.927 -1.331 -8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.593 -2.946 -7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.015 -0.991 -6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.057 -0.556 -7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.870 -2.879 -8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.886 -3.258 -6.818 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.098 -2.594 -7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.388 -1.042 -6.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.793 -0.893 -8.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.180 -0.565 -9.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.868 -2.070 -9.421 1.00 0.00 H new ATOM 437 N PRO A 31 -8.396 -4.558 -6.081 1.00 0.00 N ATOM 438 CA PRO A 31 -7.580 -5.760 -6.050 1.00 0.00 C ATOM 439 C PRO A 31 -6.957 -6.034 -7.420 1.00 0.00 C ATOM 440 O PRO A 31 -7.661 -6.086 -8.428 1.00 0.00 O ATOM 441 CB PRO A 31 -8.521 -6.863 -5.595 1.00 0.00 C ATOM 442 CG PRO A 31 -9.927 -6.337 -5.834 1.00 0.00 C ATOM 443 CD PRO A 31 -9.829 -4.841 -6.085 1.00 0.00 C ATOM 0 HA PRO A 31 -6.731 -5.675 -5.372 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.347 -7.781 -6.156 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.366 -7.099 -4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.382 -6.838 -6.688 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.562 -6.538 -4.971 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.284 -4.569 -7.037 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.347 -4.275 -5.311 1.00 0.00 H new ATOM 451 N GLY A 32 -5.642 -6.201 -7.414 1.00 0.00 N ATOM 452 CA GLY A 32 -4.916 -6.468 -8.644 1.00 0.00 C ATOM 453 C GLY A 32 -4.292 -5.187 -9.202 1.00 0.00 C ATOM 454 O GLY A 32 -3.875 -5.148 -10.358 1.00 0.00 O ATOM 0 H GLY A 32 -5.061 -6.157 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.135 -7.205 -8.457 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.591 -6.899 -9.383 1.00 0.00 H new ATOM 458 N SER A 33 -4.249 -4.170 -8.353 1.00 0.00 N ATOM 459 CA SER A 33 -3.683 -2.891 -8.747 1.00 0.00 C ATOM 460 C SER A 33 -2.382 -2.636 -7.983 1.00 0.00 C ATOM 461 O SER A 33 -2.406 -2.365 -6.784 1.00 0.00 O ATOM 462 CB SER A 33 -4.674 -1.752 -8.502 1.00 0.00 C ATOM 463 OG SER A 33 -5.527 -1.535 -9.623 1.00 0.00 O ATOM 0 H SER A 33 -4.597 -4.206 -7.395 1.00 0.00 H new ATOM 0 HA SER A 33 -3.468 -2.927 -9.815 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.279 -1.981 -7.625 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.126 -0.836 -8.281 1.00 0.00 H new ATOM 0 HG SER A 33 -6.146 -0.801 -9.426 1.00 0.00 H new ATOM 469 N THR A 34 -1.278 -2.733 -8.709 1.00 0.00 N ATOM 470 CA THR A 34 0.030 -2.516 -8.114 1.00 0.00 C ATOM 471 C THR A 34 0.139 -1.090 -7.571 1.00 0.00 C ATOM 472 O THR A 34 -0.141 -0.127 -8.283 1.00 0.00 O ATOM 473 CB THR A 34 1.089 -2.848 -9.168 1.00 0.00 C ATOM 474 OG1 THR A 34 0.937 -4.248 -9.383 1.00 0.00 O ATOM 475 CG2 THR A 34 2.514 -2.705 -8.630 1.00 0.00 C ATOM 0 H THR A 34 -1.262 -2.959 -9.704 1.00 0.00 H new ATOM 0 HA THR A 34 0.188 -3.169 -7.256 1.00 0.00 H new ATOM 0 HB THR A 34 0.960 -2.195 -10.031 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.585 -4.548 -10.055 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.227 -2.952 -9.417 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.678 -1.679 -8.301 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.655 -3.382 -7.788 1.00 0.00 H new ATOM 483 N ILE A 35 0.547 -1.000 -6.314 1.00 0.00 N ATOM 484 CA ILE A 35 0.697 0.292 -5.667 1.00 0.00 C ATOM 485 C ILE A 35 2.176 0.536 -5.360 1.00 0.00 C ATOM 486 O ILE A 35 2.680 0.100 -4.326 1.00 0.00 O ATOM 487 CB ILE A 35 -0.209 0.384 -4.437 1.00 0.00 C ATOM 488 CG1 ILE A 35 -1.681 0.240 -4.829 1.00 0.00 C ATOM 489 CG2 ILE A 35 0.054 1.674 -3.658 1.00 0.00 C ATOM 490 CD1 ILE A 35 -2.346 -0.897 -4.052 1.00 0.00 C ATOM 0 H ILE A 35 0.778 -1.801 -5.726 1.00 0.00 H new ATOM 0 HA ILE A 35 0.373 1.091 -6.334 1.00 0.00 H new ATOM 0 HB ILE A 35 0.030 -0.447 -3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.206 1.175 -4.633 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.759 0.048 -5.899 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.603 1.715 -2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.093 1.695 -3.329 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.141 2.533 -4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.392 -0.978 -4.349 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.833 -1.834 -4.269 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.288 -0.690 -2.983 1.00 0.00 H new ATOM 502 N ARG A 36 2.830 1.233 -6.278 1.00 0.00 N ATOM 503 CA ARG A 36 4.242 1.540 -6.119 1.00 0.00 C ATOM 504 C ARG A 36 4.426 2.696 -5.133 1.00 0.00 C ATOM 505 O ARG A 36 4.106 3.841 -5.448 1.00 0.00 O ATOM 506 CB ARG A 36 4.878 1.915 -7.459 1.00 0.00 C ATOM 507 CG ARG A 36 4.706 0.790 -8.481 1.00 0.00 C ATOM 508 CD ARG A 36 4.532 1.355 -9.893 1.00 0.00 C ATOM 509 NE ARG A 36 5.852 1.500 -10.546 1.00 0.00 N ATOM 510 CZ ARG A 36 6.023 1.876 -11.820 1.00 0.00 C ATOM 511 NH1 ARG A 36 4.958 2.146 -12.587 1.00 0.00 N ATOM 512 NH2 ARG A 36 7.258 1.981 -12.328 1.00 0.00 N ATOM 0 H ARG A 36 2.409 1.594 -7.134 1.00 0.00 H new ATOM 0 HA ARG A 36 4.734 0.647 -5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.422 2.829 -7.839 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.938 2.123 -7.317 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.575 0.132 -8.453 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.839 0.184 -8.218 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.896 0.694 -10.482 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.031 2.322 -9.848 1.00 0.00 H new ATOM 0 HE ARG A 36 6.684 1.301 -9.991 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.018 2.065 -12.201 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.088 2.432 -13.557 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.069 1.775 -11.744 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.388 2.267 -13.298 1.00 0.00 H new ATOM 526 N VAL A 37 4.940 2.356 -3.961 1.00 0.00 N ATOM 527 CA VAL A 37 5.171 3.351 -2.927 1.00 0.00 C ATOM 528 C VAL A 37 6.630 3.807 -2.981 1.00 0.00 C ATOM 529 O VAL A 37 7.543 2.999 -2.823 1.00 0.00 O ATOM 530 CB VAL A 37 4.770 2.789 -1.562 1.00 0.00 C ATOM 531 CG1 VAL A 37 5.024 3.812 -0.453 1.00 0.00 C ATOM 532 CG2 VAL A 37 3.310 2.333 -1.563 1.00 0.00 C ATOM 0 H VAL A 37 5.203 1.405 -3.704 1.00 0.00 H new ATOM 0 HA VAL A 37 4.550 4.230 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 37 5.392 1.917 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.731 3.388 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.084 4.067 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.439 4.711 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.052 1.938 -0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.664 3.180 -1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.172 1.556 -2.314 1.00 0.00 H new ATOM 542 N GLY A 38 6.804 5.102 -3.205 1.00 0.00 N ATOM 543 CA GLY A 38 8.136 5.676 -3.282 1.00 0.00 C ATOM 544 C GLY A 38 8.191 7.031 -2.574 1.00 0.00 C ATOM 545 O GLY A 38 7.480 7.253 -1.595 1.00 0.00 O ATOM 0 H GLY A 38 6.044 5.770 -3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.856 4.995 -2.828 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.425 5.795 -4.326 1.00 0.00 H new ATOM 549 N ARG A 39 9.043 7.901 -3.096 1.00 0.00 N ATOM 550 CA ARG A 39 9.200 9.228 -2.525 1.00 0.00 C ATOM 551 C ARG A 39 8.550 10.276 -3.431 1.00 0.00 C ATOM 552 O ARG A 39 8.145 11.340 -2.965 1.00 0.00 O ATOM 553 CB ARG A 39 10.678 9.575 -2.335 1.00 0.00 C ATOM 554 CG ARG A 39 10.853 11.050 -1.970 1.00 0.00 C ATOM 555 CD ARG A 39 12.267 11.323 -1.453 1.00 0.00 C ATOM 556 NE ARG A 39 12.839 12.502 -2.140 1.00 0.00 N ATOM 557 CZ ARG A 39 13.477 12.450 -3.318 1.00 0.00 C ATOM 558 NH1 ARG A 39 13.628 11.276 -3.945 1.00 0.00 N ATOM 559 NH2 ARG A 39 13.963 13.571 -3.867 1.00 0.00 N ATOM 0 H ARG A 39 9.632 7.713 -3.908 1.00 0.00 H new ATOM 0 HA ARG A 39 8.710 9.230 -1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.104 8.950 -1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.227 9.356 -3.251 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.655 11.671 -2.844 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.124 11.329 -1.210 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.243 11.495 -0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.899 10.451 -1.622 1.00 0.00 H new ATOM 0 HE ARG A 39 12.742 13.412 -1.689 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.258 10.423 -3.526 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.113 11.235 -4.841 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.848 14.465 -3.389 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.448 13.531 -4.763 1.00 0.00 H new ATOM 573 N ILE A 40 8.471 9.938 -4.710 1.00 0.00 N ATOM 574 CA ILE A 40 7.877 10.837 -5.686 1.00 0.00 C ATOM 575 C ILE A 40 6.601 10.204 -6.245 1.00 0.00 C ATOM 576 O ILE A 40 6.593 9.027 -6.602 1.00 0.00 O ATOM 577 CB ILE A 40 8.900 11.212 -6.760 1.00 0.00 C ATOM 578 CG1 ILE A 40 9.512 9.962 -7.395 1.00 0.00 C ATOM 579 CG2 ILE A 40 9.968 12.151 -6.196 1.00 0.00 C ATOM 580 CD1 ILE A 40 10.231 10.307 -8.701 1.00 0.00 C ATOM 0 H ILE A 40 8.808 9.055 -5.093 1.00 0.00 H new ATOM 0 HA ILE A 40 7.587 11.776 -5.214 1.00 0.00 H new ATOM 0 HB ILE A 40 8.382 11.753 -7.551 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.214 9.503 -6.699 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.730 9.228 -7.589 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.683 12.402 -6.980 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.495 13.063 -5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.489 11.658 -5.375 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.657 9.401 -9.132 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.521 10.744 -9.403 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.028 11.023 -8.499 1.00 0.00 H new ATOM 592 N VAL A 41 5.554 11.013 -6.305 1.00 0.00 N ATOM 593 CA VAL A 41 4.276 10.547 -6.815 1.00 0.00 C ATOM 594 C VAL A 41 4.361 10.403 -8.336 1.00 0.00 C ATOM 595 O VAL A 41 3.631 9.611 -8.929 1.00 0.00 O ATOM 596 CB VAL A 41 3.158 11.490 -6.365 1.00 0.00 C ATOM 597 CG1 VAL A 41 2.785 11.239 -4.903 1.00 0.00 C ATOM 598 CG2 VAL A 41 3.550 12.952 -6.588 1.00 0.00 C ATOM 0 H VAL A 41 5.565 11.989 -6.009 1.00 0.00 H new ATOM 0 HA VAL A 41 4.037 9.564 -6.408 1.00 0.00 H new ATOM 0 HB VAL A 41 2.279 11.283 -6.975 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.988 11.922 -4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.443 10.211 -4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.658 11.405 -4.271 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.738 13.601 -6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.449 13.179 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.742 13.120 -7.648 1.00 0.00 H new ATOM 608 N ARG A 42 5.258 11.182 -8.923 1.00 0.00 N ATOM 609 CA ARG A 42 5.447 11.151 -10.363 1.00 0.00 C ATOM 610 C ARG A 42 5.126 9.759 -10.911 1.00 0.00 C ATOM 611 O ARG A 42 3.990 9.485 -11.293 1.00 0.00 O ATOM 612 CB ARG A 42 6.884 11.520 -10.738 1.00 0.00 C ATOM 613 CG ARG A 42 6.976 12.980 -11.184 1.00 0.00 C ATOM 614 CD ARG A 42 7.623 13.845 -10.100 1.00 0.00 C ATOM 615 NE ARG A 42 6.701 14.933 -9.703 1.00 0.00 N ATOM 616 CZ ARG A 42 6.989 15.863 -8.783 1.00 0.00 C ATOM 617 NH1 ARG A 42 8.175 15.845 -8.160 1.00 0.00 N ATOM 618 NH2 ARG A 42 6.091 16.813 -8.487 1.00 0.00 N ATOM 0 H ARG A 42 5.862 11.838 -8.427 1.00 0.00 H new ATOM 0 HA ARG A 42 4.769 11.883 -10.802 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.540 11.355 -9.884 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.233 10.869 -11.539 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.558 13.047 -12.103 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.979 13.359 -11.409 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.870 13.232 -9.233 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.558 14.266 -10.469 1.00 0.00 H new ATOM 0 HE ARG A 42 5.789 14.977 -10.158 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.859 15.123 -8.386 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.394 16.553 -7.460 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.189 16.828 -8.962 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.310 17.521 -7.786 1.00 0.00 H new ATOM 632 N GLY A 43 6.148 8.916 -10.932 1.00 0.00 N ATOM 633 CA GLY A 43 5.989 7.559 -11.426 1.00 0.00 C ATOM 634 C GLY A 43 5.784 6.575 -10.272 1.00 0.00 C ATOM 635 O GLY A 43 6.566 5.642 -10.101 1.00 0.00 O ATOM 0 H GLY A 43 7.090 9.147 -10.615 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.137 7.513 -12.104 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.869 7.272 -12.001 1.00 0.00 H new ATOM 639 N ASN A 44 4.727 6.818 -9.511 1.00 0.00 N ATOM 640 CA ASN A 44 4.408 5.965 -8.379 1.00 0.00 C ATOM 641 C ASN A 44 2.983 6.262 -7.908 1.00 0.00 C ATOM 642 O ASN A 44 2.537 7.407 -7.951 1.00 0.00 O ATOM 643 CB ASN A 44 5.357 6.228 -7.208 1.00 0.00 C ATOM 644 CG ASN A 44 6.781 5.782 -7.546 1.00 0.00 C ATOM 645 OD1 ASN A 44 7.026 4.662 -7.964 1.00 0.00 O ATOM 646 ND2 ASN A 44 7.704 6.718 -7.341 1.00 0.00 N ATOM 0 H ASN A 44 4.081 7.594 -9.656 1.00 0.00 H new ATOM 0 HA ASN A 44 4.508 4.928 -8.699 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.353 7.290 -6.964 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.006 5.696 -6.324 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.685 6.518 -7.536 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.431 7.636 -6.989 1.00 0.00 H new ATOM 653 N GLU A 45 2.308 5.209 -7.469 1.00 0.00 N ATOM 654 CA GLU A 45 0.943 5.342 -6.990 1.00 0.00 C ATOM 655 C GLU A 45 0.905 6.204 -5.727 1.00 0.00 C ATOM 656 O GLU A 45 0.065 7.094 -5.603 1.00 0.00 O ATOM 657 CB GLU A 45 0.314 3.970 -6.738 1.00 0.00 C ATOM 658 CG GLU A 45 -0.707 3.626 -7.824 1.00 0.00 C ATOM 659 CD GLU A 45 -0.122 3.856 -9.219 1.00 0.00 C ATOM 660 OE1 GLU A 45 1.017 3.391 -9.440 1.00 0.00 O ATOM 661 OE2 GLU A 45 -0.827 4.491 -10.033 1.00 0.00 O ATOM 0 H GLU A 45 2.681 4.260 -7.435 1.00 0.00 H new ATOM 0 HA GLU A 45 0.355 5.838 -7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.093 3.208 -6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.172 3.962 -5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.015 2.585 -7.722 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.600 4.237 -7.695 1.00 0.00 H new ATOM 668 N ILE A 46 1.825 5.909 -4.820 1.00 0.00 N ATOM 669 CA ILE A 46 1.907 6.646 -3.570 1.00 0.00 C ATOM 670 C ILE A 46 3.356 7.072 -3.329 1.00 0.00 C ATOM 671 O ILE A 46 4.286 6.330 -3.643 1.00 0.00 O ATOM 672 CB ILE A 46 1.308 5.827 -2.425 1.00 0.00 C ATOM 673 CG1 ILE A 46 -0.109 5.360 -2.767 1.00 0.00 C ATOM 674 CG2 ILE A 46 1.352 6.608 -1.111 1.00 0.00 C ATOM 675 CD1 ILE A 46 -0.559 4.240 -1.827 1.00 0.00 C ATOM 0 H ILE A 46 2.520 5.170 -4.926 1.00 0.00 H new ATOM 0 HA ILE A 46 1.311 7.557 -3.625 1.00 0.00 H new ATOM 0 HB ILE A 46 1.917 4.934 -2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.800 6.200 -2.695 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.141 5.009 -3.798 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.920 6.003 -0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.386 6.848 -0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.781 7.530 -1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.569 3.927 -2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.120 3.392 -1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.549 4.602 -0.799 1.00 0.00 H new ATOM 687 N ALA A 47 3.504 8.266 -2.773 1.00 0.00 N ATOM 688 CA ALA A 47 4.825 8.799 -2.486 1.00 0.00 C ATOM 689 C ALA A 47 4.813 9.462 -1.107 1.00 0.00 C ATOM 690 O ALA A 47 3.761 9.876 -0.622 1.00 0.00 O ATOM 691 CB ALA A 47 5.236 9.769 -3.596 1.00 0.00 C ATOM 0 H ALA A 47 2.731 8.879 -2.514 1.00 0.00 H new ATOM 0 HA ALA A 47 5.565 7.999 -2.461 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.227 10.169 -3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.256 9.242 -4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.518 10.587 -3.648 1.00 0.00 H new ATOM 697 N ILE A 48 5.995 9.543 -0.514 1.00 0.00 N ATOM 698 CA ILE A 48 6.135 10.148 0.799 1.00 0.00 C ATOM 699 C ILE A 48 7.309 11.129 0.782 1.00 0.00 C ATOM 700 O ILE A 48 8.339 10.859 0.165 1.00 0.00 O ATOM 701 CB ILE A 48 6.250 9.069 1.877 1.00 0.00 C ATOM 702 CG1 ILE A 48 4.960 8.253 1.977 1.00 0.00 C ATOM 703 CG2 ILE A 48 6.648 9.679 3.223 1.00 0.00 C ATOM 704 CD1 ILE A 48 5.263 6.779 2.253 1.00 0.00 C ATOM 0 H ILE A 48 6.865 9.199 -0.920 1.00 0.00 H new ATOM 0 HA ILE A 48 5.243 10.723 1.050 1.00 0.00 H new ATOM 0 HB ILE A 48 7.044 8.381 1.587 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.333 8.654 2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.395 8.344 1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.723 8.891 3.972 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.612 10.179 3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.893 10.402 3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.329 6.222 2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.870 6.374 1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.807 6.689 3.194 1.00 0.00 H new ATOM 716 N LYS A 49 7.116 12.246 1.466 1.00 0.00 N ATOM 717 CA LYS A 49 8.146 13.268 1.538 1.00 0.00 C ATOM 718 C LYS A 49 9.084 12.961 2.707 1.00 0.00 C ATOM 719 O LYS A 49 9.055 13.647 3.727 1.00 0.00 O ATOM 720 CB LYS A 49 7.516 14.661 1.604 1.00 0.00 C ATOM 721 CG LYS A 49 7.228 15.200 0.202 1.00 0.00 C ATOM 722 CD LYS A 49 8.527 15.491 -0.552 1.00 0.00 C ATOM 723 CE LYS A 49 8.762 14.460 -1.657 1.00 0.00 C ATOM 724 NZ LYS A 49 9.109 15.134 -2.929 1.00 0.00 N ATOM 0 H LYS A 49 6.261 12.466 1.976 1.00 0.00 H new ATOM 0 HA LYS A 49 8.753 13.261 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.590 14.618 2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.186 15.342 2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.635 14.475 -0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.633 16.111 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.484 16.490 -0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.366 15.481 0.144 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.565 13.783 -1.366 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.867 13.853 -1.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.265 14.420 -3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.330 15.762 -3.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.976 15.694 -2.800 1.00 0.00 H new ATOM 738 N ASP A 50 9.893 11.928 2.519 1.00 0.00 N ATOM 739 CA ASP A 50 10.837 11.521 3.546 1.00 0.00 C ATOM 740 C ASP A 50 12.109 10.989 2.881 1.00 0.00 C ATOM 741 O ASP A 50 12.063 10.008 2.141 1.00 0.00 O ATOM 742 CB ASP A 50 10.257 10.405 4.417 1.00 0.00 C ATOM 743 CG ASP A 50 11.294 9.538 5.134 1.00 0.00 C ATOM 744 OD1 ASP A 50 11.738 9.967 6.221 1.00 0.00 O ATOM 745 OD2 ASP A 50 11.620 8.467 4.578 1.00 0.00 O ATOM 0 H ASP A 50 9.914 11.361 1.671 1.00 0.00 H new ATOM 0 HA ASP A 50 11.052 12.389 4.169 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.600 10.852 5.164 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.638 9.762 3.792 1.00 0.00 H new ATOM 750 N ALA A 51 13.214 11.661 3.170 1.00 0.00 N ATOM 751 CA ALA A 51 14.496 11.269 2.609 1.00 0.00 C ATOM 752 C ALA A 51 14.693 9.764 2.804 1.00 0.00 C ATOM 753 O ALA A 51 15.366 9.114 2.005 1.00 0.00 O ATOM 754 CB ALA A 51 15.610 12.092 3.258 1.00 0.00 C ATOM 0 H ALA A 51 13.248 12.474 3.785 1.00 0.00 H new ATOM 0 HA ALA A 51 14.525 11.470 1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.572 11.798 2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 51 15.439 13.151 3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 51 15.615 11.914 4.333 1.00 0.00 H new ATOM 760 N GLY A 52 14.094 9.254 3.870 1.00 0.00 N ATOM 761 CA GLY A 52 14.196 7.838 4.179 1.00 0.00 C ATOM 762 C GLY A 52 13.600 6.987 3.056 1.00 0.00 C ATOM 763 O GLY A 52 13.946 5.816 2.909 1.00 0.00 O ATOM 0 H GLY A 52 13.537 9.796 4.530 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.242 7.569 4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.677 7.628 5.114 1.00 0.00 H new ATOM 767 N ILE A 53 12.713 7.609 2.294 1.00 0.00 N ATOM 768 CA ILE A 53 12.065 6.923 1.188 1.00 0.00 C ATOM 769 C ILE A 53 12.646 7.431 -0.133 1.00 0.00 C ATOM 770 O ILE A 53 12.885 8.628 -0.290 1.00 0.00 O ATOM 771 CB ILE A 53 10.544 7.066 1.287 1.00 0.00 C ATOM 772 CG1 ILE A 53 10.043 6.647 2.670 1.00 0.00 C ATOM 773 CG2 ILE A 53 9.847 6.293 0.166 1.00 0.00 C ATOM 774 CD1 ILE A 53 8.835 7.486 3.093 1.00 0.00 C ATOM 0 H ILE A 53 12.427 8.580 2.420 1.00 0.00 H new ATOM 0 HA ILE A 53 12.265 5.853 1.233 1.00 0.00 H new ATOM 0 HB ILE A 53 10.290 8.118 1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.771 5.592 2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.844 6.761 3.401 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.767 6.411 0.259 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.172 6.680 -0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.104 5.236 0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.499 7.168 4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.117 8.538 3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.028 7.350 2.373 1.00 0.00 H new ATOM 786 N SER A 54 12.856 6.497 -1.048 1.00 0.00 N ATOM 787 CA SER A 54 13.405 6.835 -2.350 1.00 0.00 C ATOM 788 C SER A 54 12.305 6.779 -3.412 1.00 0.00 C ATOM 789 O SER A 54 11.190 6.342 -3.133 1.00 0.00 O ATOM 790 CB SER A 54 14.553 5.896 -2.725 1.00 0.00 C ATOM 791 OG SER A 54 15.824 6.528 -2.593 1.00 0.00 O ATOM 0 H SER A 54 12.656 5.506 -0.914 1.00 0.00 H new ATOM 0 HA SER A 54 13.803 7.849 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.520 5.011 -2.089 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.422 5.555 -3.752 1.00 0.00 H new ATOM 0 HG SER A 54 16.531 5.896 -2.840 1.00 0.00 H new ATOM 797 N THR A 55 12.658 7.227 -4.608 1.00 0.00 N ATOM 798 CA THR A 55 11.715 7.233 -5.713 1.00 0.00 C ATOM 799 C THR A 55 11.103 5.843 -5.899 1.00 0.00 C ATOM 800 O THR A 55 9.886 5.707 -6.016 1.00 0.00 O ATOM 801 CB THR A 55 12.445 7.747 -6.956 1.00 0.00 C ATOM 802 OG1 THR A 55 13.629 6.956 -7.014 1.00 0.00 O ATOM 803 CG2 THR A 55 12.959 9.177 -6.783 1.00 0.00 C ATOM 0 H THR A 55 13.584 7.588 -4.836 1.00 0.00 H new ATOM 0 HA THR A 55 10.876 7.899 -5.513 1.00 0.00 H new ATOM 0 HB THR A 55 11.775 7.704 -7.815 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.162 7.222 -7.792 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.469 9.493 -7.693 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.120 9.844 -6.587 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.655 9.214 -5.945 1.00 0.00 H new ATOM 811 N LYS A 56 11.975 4.846 -5.922 1.00 0.00 N ATOM 812 CA LYS A 56 11.536 3.471 -6.092 1.00 0.00 C ATOM 813 C LYS A 56 11.903 2.665 -4.844 1.00 0.00 C ATOM 814 O LYS A 56 12.632 1.678 -4.931 1.00 0.00 O ATOM 815 CB LYS A 56 12.097 2.886 -7.389 1.00 0.00 C ATOM 816 CG LYS A 56 11.280 3.348 -8.598 1.00 0.00 C ATOM 817 CD LYS A 56 12.126 4.214 -9.533 1.00 0.00 C ATOM 818 CE LYS A 56 11.243 5.148 -10.363 1.00 0.00 C ATOM 819 NZ LYS A 56 11.655 5.124 -11.784 1.00 0.00 N ATOM 0 H LYS A 56 12.984 4.963 -5.826 1.00 0.00 H new ATOM 0 HA LYS A 56 10.452 3.427 -6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.136 3.191 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.089 1.797 -7.335 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.905 2.480 -9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.411 3.913 -8.260 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.835 4.801 -8.949 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.711 3.576 -10.196 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.200 4.845 -10.276 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.313 6.164 -9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.045 5.763 -12.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.644 5.435 -11.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.565 4.157 -12.155 1.00 0.00 H new ATOM 833 N HIS A 57 11.381 3.115 -3.713 1.00 0.00 N ATOM 834 CA HIS A 57 11.644 2.448 -2.449 1.00 0.00 C ATOM 835 C HIS A 57 11.224 0.980 -2.547 1.00 0.00 C ATOM 836 O HIS A 57 12.068 0.085 -2.505 1.00 0.00 O ATOM 837 CB HIS A 57 10.963 3.184 -1.294 1.00 0.00 C ATOM 838 CG HIS A 57 11.263 2.601 0.067 1.00 0.00 C ATOM 839 ND1 HIS A 57 11.626 3.379 1.152 1.00 0.00 N ATOM 840 CD2 HIS A 57 11.248 1.310 0.506 1.00 0.00 C ATOM 841 CE1 HIS A 57 11.820 2.582 2.192 1.00 0.00 C ATOM 842 NE2 HIS A 57 11.586 1.300 1.790 1.00 0.00 N ATOM 0 H HIS A 57 10.777 3.934 -3.645 1.00 0.00 H new ATOM 0 HA HIS A 57 12.713 2.471 -2.237 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.275 4.228 -1.308 1.00 0.00 H new ATOM 0 HB3 HIS A 57 9.885 3.171 -1.454 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.003 0.443 -0.090 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.112 2.893 3.184 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.659 0.470 2.379 1.00 0.00 H new ATOM 850 N LEU A 58 9.921 0.777 -2.675 1.00 0.00 N ATOM 851 CA LEU A 58 9.379 -0.567 -2.779 1.00 0.00 C ATOM 852 C LEU A 58 8.137 -0.543 -3.672 1.00 0.00 C ATOM 853 O LEU A 58 7.674 0.524 -4.070 1.00 0.00 O ATOM 854 CB LEU A 58 9.125 -1.151 -1.388 1.00 0.00 C ATOM 855 CG LEU A 58 8.387 -0.242 -0.403 1.00 0.00 C ATOM 856 CD1 LEU A 58 7.092 0.295 -1.017 1.00 0.00 C ATOM 857 CD2 LEU A 58 8.137 -0.960 0.925 1.00 0.00 C ATOM 0 H LEU A 58 9.224 1.521 -2.709 1.00 0.00 H new ATOM 0 HA LEU A 58 10.100 -1.233 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.552 -2.071 -1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.085 -1.425 -0.950 1.00 0.00 H new ATOM 0 HG LEU A 58 9.023 0.617 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.587 0.938 -0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.325 0.868 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.440 -0.539 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.611 -0.291 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.531 -1.849 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.090 -1.252 1.366 1.00 0.00 H new ATOM 869 N ARG A 59 7.633 -1.734 -3.961 1.00 0.00 N ATOM 870 CA ARG A 59 6.454 -1.864 -4.800 1.00 0.00 C ATOM 871 C ARG A 59 5.450 -2.824 -4.159 1.00 0.00 C ATOM 872 O ARG A 59 5.831 -3.875 -3.646 1.00 0.00 O ATOM 873 CB ARG A 59 6.823 -2.378 -6.193 1.00 0.00 C ATOM 874 CG ARG A 59 5.675 -3.187 -6.801 1.00 0.00 C ATOM 875 CD ARG A 59 5.972 -3.552 -8.256 1.00 0.00 C ATOM 876 NE ARG A 59 5.194 -4.749 -8.647 1.00 0.00 N ATOM 877 CZ ARG A 59 5.580 -6.009 -8.405 1.00 0.00 C ATOM 878 NH1 ARG A 59 6.737 -6.244 -7.771 1.00 0.00 N ATOM 879 NH2 ARG A 59 4.810 -7.033 -8.795 1.00 0.00 N ATOM 0 H ARG A 59 8.020 -2.617 -3.629 1.00 0.00 H new ATOM 0 HA ARG A 59 6.006 -0.875 -4.897 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.064 -1.537 -6.843 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.717 -2.999 -6.131 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.518 -4.095 -6.219 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.751 -2.611 -6.748 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.720 -2.716 -8.908 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.038 -3.744 -8.381 1.00 0.00 H new ATOM 0 HE ARG A 59 4.308 -4.606 -9.131 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.323 -5.464 -7.473 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.032 -7.203 -7.586 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.929 -6.854 -9.277 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.105 -7.992 -8.610 1.00 0.00 H new ATOM 893 N ILE A 60 4.186 -2.428 -4.209 1.00 0.00 N ATOM 894 CA ILE A 60 3.124 -3.241 -3.640 1.00 0.00 C ATOM 895 C ILE A 60 2.239 -3.778 -4.767 1.00 0.00 C ATOM 896 O ILE A 60 1.866 -3.037 -5.675 1.00 0.00 O ATOM 897 CB ILE A 60 2.356 -2.451 -2.578 1.00 0.00 C ATOM 898 CG1 ILE A 60 3.279 -2.035 -1.430 1.00 0.00 C ATOM 899 CG2 ILE A 60 1.142 -3.238 -2.081 1.00 0.00 C ATOM 900 CD1 ILE A 60 2.509 -1.253 -0.365 1.00 0.00 C ATOM 0 H ILE A 60 3.874 -1.555 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 60 3.541 -4.105 -3.123 1.00 0.00 H new ATOM 0 HB ILE A 60 1.981 -1.536 -3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.730 -2.920 -0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.094 -1.424 -1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.614 -2.654 -1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.473 -3.441 -2.917 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.473 -4.180 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.187 -0.969 0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.080 -0.356 -0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.710 -1.876 0.037 1.00 0.00 H new ATOM 912 N GLU A 61 1.929 -5.063 -4.671 1.00 0.00 N ATOM 913 CA GLU A 61 1.095 -5.708 -5.670 1.00 0.00 C ATOM 914 C GLU A 61 0.219 -6.780 -5.019 1.00 0.00 C ATOM 915 O GLU A 61 0.402 -7.108 -3.848 1.00 0.00 O ATOM 916 CB GLU A 61 1.947 -6.303 -6.794 1.00 0.00 C ATOM 917 CG GLU A 61 2.881 -7.389 -6.256 1.00 0.00 C ATOM 918 CD GLU A 61 2.338 -8.785 -6.572 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.096 -8.922 -6.578 1.00 0.00 O ATOM 920 OE2 GLU A 61 3.178 -9.682 -6.799 1.00 0.00 O ATOM 0 H GLU A 61 2.241 -5.674 -3.916 1.00 0.00 H new ATOM 0 HA GLU A 61 0.443 -4.955 -6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.299 -6.724 -7.563 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.533 -5.515 -7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.872 -7.272 -6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.995 -7.275 -5.178 1.00 0.00 H new ATOM 927 N SER A 62 -0.713 -7.296 -5.807 1.00 0.00 N ATOM 928 CA SER A 62 -1.617 -8.324 -5.321 1.00 0.00 C ATOM 929 C SER A 62 -1.592 -9.530 -6.262 1.00 0.00 C ATOM 930 O SER A 62 -1.522 -9.371 -7.480 1.00 0.00 O ATOM 931 CB SER A 62 -3.043 -7.785 -5.188 1.00 0.00 C ATOM 932 OG SER A 62 -4.020 -8.793 -5.436 1.00 0.00 O ATOM 0 H SER A 62 -0.861 -7.021 -6.778 1.00 0.00 H new ATOM 0 HA SER A 62 -1.281 -8.635 -4.332 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.186 -7.380 -4.186 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.186 -6.961 -5.888 1.00 0.00 H new ATOM 0 HG SER A 62 -4.083 -9.386 -4.658 1.00 0.00 H new ATOM 938 N ASP A 63 -1.650 -10.710 -5.662 1.00 0.00 N ATOM 939 CA ASP A 63 -1.634 -11.943 -6.431 1.00 0.00 C ATOM 940 C ASP A 63 -2.468 -13.001 -5.707 1.00 0.00 C ATOM 941 O ASP A 63 -2.650 -12.930 -4.493 1.00 0.00 O ATOM 942 CB ASP A 63 -0.210 -12.482 -6.578 1.00 0.00 C ATOM 943 CG ASP A 63 0.550 -11.975 -7.806 1.00 0.00 C ATOM 944 OD1 ASP A 63 -0.113 -11.367 -8.673 1.00 0.00 O ATOM 945 OD2 ASP A 63 1.778 -12.208 -7.849 1.00 0.00 O ATOM 0 H ASP A 63 -1.708 -10.838 -4.652 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.042 -11.730 -7.419 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.356 -12.218 -5.685 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.252 -13.570 -6.619 1.00 0.00 H new ATOM 950 N SER A 64 -2.953 -13.960 -6.484 1.00 0.00 N ATOM 951 CA SER A 64 -3.763 -15.032 -5.931 1.00 0.00 C ATOM 952 C SER A 64 -4.754 -14.467 -4.912 1.00 0.00 C ATOM 953 O SER A 64 -4.693 -14.802 -3.730 1.00 0.00 O ATOM 954 CB SER A 64 -2.888 -16.105 -5.282 1.00 0.00 C ATOM 955 OG SER A 64 -2.711 -17.236 -6.132 1.00 0.00 O ATOM 0 H SER A 64 -2.800 -14.016 -7.491 1.00 0.00 H new ATOM 0 HA SER A 64 -4.316 -15.498 -6.746 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.915 -15.680 -5.037 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.342 -16.424 -4.344 1.00 0.00 H new ATOM 0 HG SER A 64 -2.145 -17.898 -5.682 1.00 0.00 H new ATOM 961 N GLY A 65 -5.644 -13.619 -5.406 1.00 0.00 N ATOM 962 CA GLY A 65 -6.647 -13.004 -4.553 1.00 0.00 C ATOM 963 C GLY A 65 -6.059 -12.646 -3.186 1.00 0.00 C ATOM 964 O GLY A 65 -6.664 -12.929 -2.153 1.00 0.00 O ATOM 0 H GLY A 65 -5.691 -13.343 -6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.036 -12.106 -5.032 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.488 -13.686 -4.424 1.00 0.00 H new ATOM 968 N ASN A 66 -4.887 -12.030 -3.225 1.00 0.00 N ATOM 969 CA ASN A 66 -4.211 -11.631 -2.003 1.00 0.00 C ATOM 970 C ASN A 66 -3.269 -10.463 -2.304 1.00 0.00 C ATOM 971 O ASN A 66 -2.997 -10.164 -3.466 1.00 0.00 O ATOM 972 CB ASN A 66 -3.373 -12.779 -1.436 1.00 0.00 C ATOM 973 CG ASN A 66 -4.244 -13.749 -0.635 1.00 0.00 C ATOM 974 OD1 ASN A 66 -5.299 -13.404 -0.129 1.00 0.00 O ATOM 975 ND2 ASN A 66 -3.746 -14.979 -0.549 1.00 0.00 N ATOM 0 H ASN A 66 -4.388 -11.797 -4.084 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.971 -11.346 -1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.882 -13.312 -2.250 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.586 -12.379 -0.797 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.253 -15.700 -0.036 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.857 -15.202 -0.996 1.00 0.00 H new ATOM 982 N TRP A 67 -2.797 -9.834 -1.237 1.00 0.00 N ATOM 983 CA TRP A 67 -1.892 -8.706 -1.373 1.00 0.00 C ATOM 984 C TRP A 67 -0.521 -9.134 -0.844 1.00 0.00 C ATOM 985 O TRP A 67 -0.432 -9.857 0.147 1.00 0.00 O ATOM 986 CB TRP A 67 -2.447 -7.469 -0.664 1.00 0.00 C ATOM 987 CG TRP A 67 -3.713 -6.899 -1.307 1.00 0.00 C ATOM 988 CD1 TRP A 67 -4.985 -7.252 -1.079 1.00 0.00 C ATOM 989 CD2 TRP A 67 -3.776 -5.853 -2.299 1.00 0.00 C ATOM 990 NE1 TRP A 67 -5.861 -6.514 -1.848 1.00 0.00 N ATOM 991 CE2 TRP A 67 -5.102 -5.636 -2.614 1.00 0.00 C ATOM 992 CE3 TRP A 67 -2.748 -5.115 -2.911 1.00 0.00 C ATOM 993 CZ2 TRP A 67 -5.522 -4.682 -3.549 1.00 0.00 C ATOM 994 CZ3 TRP A 67 -3.184 -4.165 -3.843 1.00 0.00 C ATOM 995 CH2 TRP A 67 -4.515 -3.934 -4.171 1.00 0.00 C ATOM 0 H TRP A 67 -3.025 -10.085 -0.275 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.788 -8.419 -2.419 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -2.662 -7.724 0.374 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -1.679 -6.696 -0.650 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -5.287 -8.018 -0.381 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.878 -6.597 -1.854 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.704 -5.269 -2.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.567 -4.531 -3.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.433 -3.570 -4.342 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.771 -3.181 -4.902 1.00 0.00 H new ATOM 1006 N VAL A 68 0.513 -8.669 -1.529 1.00 0.00 N ATOM 1007 CA VAL A 68 1.875 -8.994 -1.141 1.00 0.00 C ATOM 1008 C VAL A 68 2.743 -7.738 -1.242 1.00 0.00 C ATOM 1009 O VAL A 68 2.508 -6.883 -2.095 1.00 0.00 O ATOM 1010 CB VAL A 68 2.399 -10.153 -1.991 1.00 0.00 C ATOM 1011 CG1 VAL A 68 1.375 -11.287 -2.063 1.00 0.00 C ATOM 1012 CG2 VAL A 68 2.786 -9.674 -3.392 1.00 0.00 C ATOM 0 H VAL A 68 0.435 -8.070 -2.351 1.00 0.00 H new ATOM 0 HA VAL A 68 1.907 -9.329 -0.104 1.00 0.00 H new ATOM 0 HB VAL A 68 3.296 -10.542 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.773 -12.098 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.169 -11.656 -1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.452 -10.916 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.155 -10.517 -3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.913 -9.246 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.566 -8.917 -3.315 1.00 0.00 H new ATOM 1022 N ILE A 69 3.730 -7.667 -0.360 1.00 0.00 N ATOM 1023 CA ILE A 69 4.634 -6.530 -0.340 1.00 0.00 C ATOM 1024 C ILE A 69 6.027 -6.983 -0.783 1.00 0.00 C ATOM 1025 O ILE A 69 6.448 -8.097 -0.475 1.00 0.00 O ATOM 1026 CB ILE A 69 4.615 -5.855 1.033 1.00 0.00 C ATOM 1027 CG1 ILE A 69 5.448 -4.572 1.025 1.00 0.00 C ATOM 1028 CG2 ILE A 69 5.066 -6.824 2.127 1.00 0.00 C ATOM 1029 CD1 ILE A 69 4.745 -3.456 1.801 1.00 0.00 C ATOM 0 H ILE A 69 3.923 -8.378 0.345 1.00 0.00 H new ATOM 0 HA ILE A 69 4.305 -5.770 -1.049 1.00 0.00 H new ATOM 0 HB ILE A 69 3.587 -5.570 1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.426 -4.766 1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.620 -4.252 -0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.043 -6.319 3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.396 -7.683 2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.081 -7.162 1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.359 -2.555 1.779 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.778 -3.247 1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.597 -3.769 2.834 1.00 0.00 H new ATOM 1041 N GLN A 70 6.703 -6.097 -1.498 1.00 0.00 N ATOM 1042 CA GLN A 70 8.039 -6.392 -1.987 1.00 0.00 C ATOM 1043 C GLN A 70 8.964 -5.195 -1.759 1.00 0.00 C ATOM 1044 O GLN A 70 8.709 -4.104 -2.267 1.00 0.00 O ATOM 1045 CB GLN A 70 8.008 -6.788 -3.464 1.00 0.00 C ATOM 1046 CG GLN A 70 9.409 -7.138 -3.968 1.00 0.00 C ATOM 1047 CD GLN A 70 9.624 -6.624 -5.393 1.00 0.00 C ATOM 1048 OE1 GLN A 70 8.710 -6.547 -6.197 1.00 0.00 O ATOM 1049 NE2 GLN A 70 10.880 -6.278 -5.660 1.00 0.00 N ATOM 0 H GLN A 70 6.351 -5.174 -1.751 1.00 0.00 H new ATOM 0 HA GLN A 70 8.430 -7.241 -1.426 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.345 -7.642 -3.601 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.599 -5.969 -4.055 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.157 -6.704 -3.304 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.549 -8.219 -3.942 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.598 -6.367 -4.941 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.126 -5.923 -6.584 1.00 0.00 H new ATOM 1058 N ASP A 71 10.019 -5.439 -0.995 1.00 0.00 N ATOM 1059 CA ASP A 71 10.983 -4.394 -0.694 1.00 0.00 C ATOM 1060 C ASP A 71 12.043 -4.352 -1.796 1.00 0.00 C ATOM 1061 O ASP A 71 12.893 -5.238 -1.879 1.00 0.00 O ATOM 1062 CB ASP A 71 11.691 -4.665 0.634 1.00 0.00 C ATOM 1063 CG ASP A 71 11.083 -5.790 1.474 1.00 0.00 C ATOM 1064 OD1 ASP A 71 9.837 -5.813 1.575 1.00 0.00 O ATOM 1065 OD2 ASP A 71 11.877 -6.601 1.997 1.00 0.00 O ATOM 0 H ASP A 71 10.227 -6.345 -0.575 1.00 0.00 H new ATOM 0 HA ASP A 71 10.446 -3.447 -0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.734 -4.908 0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.687 -3.749 1.224 1.00 0.00 H new ATOM 1070 N LEU A 72 11.959 -3.315 -2.616 1.00 0.00 N ATOM 1071 CA LEU A 72 12.901 -3.146 -3.709 1.00 0.00 C ATOM 1072 C LEU A 72 14.260 -2.727 -3.145 1.00 0.00 C ATOM 1073 O LEU A 72 14.782 -1.669 -3.495 1.00 0.00 O ATOM 1074 CB LEU A 72 12.343 -2.176 -4.752 1.00 0.00 C ATOM 1075 CG LEU A 72 11.104 -2.651 -5.514 1.00 0.00 C ATOM 1076 CD1 LEU A 72 10.272 -3.612 -4.663 1.00 0.00 C ATOM 1077 CD2 LEU A 72 10.277 -1.464 -6.012 1.00 0.00 C ATOM 0 H LEU A 72 11.252 -2.583 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 72 13.050 -4.090 -4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.101 -1.237 -4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.129 -1.959 -5.475 1.00 0.00 H new ATOM 0 HG LEU A 72 11.435 -3.204 -6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.397 -3.934 -5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.875 -4.481 -4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.950 -3.106 -3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.403 -1.830 -6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.955 -0.863 -5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.884 -0.852 -6.679 1.00 0.00 H new ATOM 1089 N GLY A 73 14.795 -3.577 -2.281 1.00 0.00 N ATOM 1090 CA GLY A 73 16.083 -3.308 -1.666 1.00 0.00 C ATOM 1091 C GLY A 73 16.281 -1.808 -1.441 1.00 0.00 C ATOM 1092 O GLY A 73 17.352 -1.271 -1.721 1.00 0.00 O ATOM 0 H GLY A 73 14.359 -4.453 -1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.152 -3.834 -0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.881 -3.692 -2.302 1.00 0.00 H new ATOM 1096 N SER A 74 15.232 -1.174 -0.939 1.00 0.00 N ATOM 1097 CA SER A 74 15.277 0.254 -0.674 1.00 0.00 C ATOM 1098 C SER A 74 16.579 0.612 0.046 1.00 0.00 C ATOM 1099 O SER A 74 17.329 -0.272 0.455 1.00 0.00 O ATOM 1100 CB SER A 74 14.071 0.699 0.157 1.00 0.00 C ATOM 1101 OG SER A 74 14.234 0.393 1.540 1.00 0.00 O ATOM 0 H SER A 74 14.346 -1.623 -0.709 1.00 0.00 H new ATOM 0 HA SER A 74 15.240 0.780 -1.628 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.925 1.773 0.038 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.172 0.211 -0.219 1.00 0.00 H new ATOM 0 HG SER A 74 13.425 0.650 2.029 1.00 0.00 H new ATOM 1107 N SER A 75 16.807 1.911 0.179 1.00 0.00 N ATOM 1108 CA SER A 75 18.005 2.396 0.842 1.00 0.00 C ATOM 1109 C SER A 75 18.287 1.559 2.091 1.00 0.00 C ATOM 1110 O SER A 75 19.145 0.677 2.071 1.00 0.00 O ATOM 1111 CB SER A 75 17.868 3.874 1.214 1.00 0.00 C ATOM 1112 OG SER A 75 18.429 4.728 0.221 1.00 0.00 O ATOM 0 H SER A 75 16.182 2.642 -0.161 1.00 0.00 H new ATOM 0 HA SER A 75 18.842 2.299 0.150 1.00 0.00 H new ATOM 0 HB2 SER A 75 16.814 4.118 1.349 1.00 0.00 H new ATOM 0 HB3 SER A 75 18.362 4.055 2.169 1.00 0.00 H new ATOM 0 HG SER A 75 18.320 5.663 0.494 1.00 0.00 H new ATOM 1118 N ASN A 76 17.550 1.864 3.149 1.00 0.00 N ATOM 1119 CA ASN A 76 17.710 1.150 4.404 1.00 0.00 C ATOM 1120 C ASN A 76 16.993 -0.198 4.315 1.00 0.00 C ATOM 1121 O ASN A 76 17.622 -1.249 4.429 1.00 0.00 O ATOM 1122 CB ASN A 76 17.098 1.935 5.566 1.00 0.00 C ATOM 1123 CG ASN A 76 17.665 3.355 5.627 1.00 0.00 C ATOM 1124 OD1 ASN A 76 18.845 3.571 5.853 1.00 0.00 O ATOM 1125 ND2 ASN A 76 16.762 4.308 5.415 1.00 0.00 N ATOM 0 H ASN A 76 16.840 2.596 3.163 1.00 0.00 H new ATOM 0 HA ASN A 76 18.777 1.016 4.581 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.015 1.977 5.451 1.00 0.00 H new ATOM 0 HB3 ASN A 76 17.299 1.419 6.505 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.041 5.289 5.436 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.790 4.058 5.231 1.00 0.00 H new ATOM 1132 N GLY A 77 15.686 -0.124 4.111 1.00 0.00 N ATOM 1133 CA GLY A 77 14.876 -1.326 4.004 1.00 0.00 C ATOM 1134 C GLY A 77 13.430 -1.052 4.424 1.00 0.00 C ATOM 1135 O GLY A 77 13.063 0.092 4.688 1.00 0.00 O ATOM 0 H GLY A 77 15.168 0.749 4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.897 -1.693 2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.298 -2.111 4.632 1.00 0.00 H new ATOM 1139 N THR A 78 12.649 -2.121 4.471 1.00 0.00 N ATOM 1140 CA THR A 78 11.252 -2.010 4.854 1.00 0.00 C ATOM 1141 C THR A 78 10.939 -2.958 6.013 1.00 0.00 C ATOM 1142 O THR A 78 11.140 -4.166 5.903 1.00 0.00 O ATOM 1143 CB THR A 78 10.399 -2.270 3.610 1.00 0.00 C ATOM 1144 OG1 THR A 78 10.824 -1.273 2.684 1.00 0.00 O ATOM 1145 CG2 THR A 78 8.919 -1.958 3.840 1.00 0.00 C ATOM 0 H THR A 78 12.957 -3.068 4.250 1.00 0.00 H new ATOM 0 HA THR A 78 11.021 -1.010 5.222 1.00 0.00 H new ATOM 0 HB THR A 78 10.508 -3.311 3.306 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.182 -1.704 1.880 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.359 -2.159 2.927 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.536 -2.584 4.646 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.806 -0.908 4.111 1.00 0.00 H new ATOM 1153 N LEU A 79 10.452 -2.374 7.098 1.00 0.00 N ATOM 1154 CA LEU A 79 10.110 -3.151 8.277 1.00 0.00 C ATOM 1155 C LEU A 79 8.615 -3.477 8.252 1.00 0.00 C ATOM 1156 O LEU A 79 7.811 -2.680 7.772 1.00 0.00 O ATOM 1157 CB LEU A 79 10.560 -2.426 9.547 1.00 0.00 C ATOM 1158 CG LEU A 79 12.069 -2.376 9.792 1.00 0.00 C ATOM 1159 CD1 LEU A 79 12.447 -1.160 10.640 1.00 0.00 C ATOM 1160 CD2 LEU A 79 12.567 -3.683 10.412 1.00 0.00 C ATOM 0 H LEU A 79 10.286 -1.371 7.185 1.00 0.00 H new ATOM 0 HA LEU A 79 10.644 -4.101 8.274 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.184 -1.404 9.510 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.089 -2.909 10.403 1.00 0.00 H new ATOM 0 HG LEU A 79 12.568 -2.265 8.829 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.525 -1.148 10.799 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.147 -0.248 10.123 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.939 -1.215 11.603 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.643 -3.621 10.576 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.064 -3.849 11.365 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.350 -4.511 9.738 1.00 0.00 H new ATOM 1172 N LEU A 80 8.289 -4.651 8.774 1.00 0.00 N ATOM 1173 CA LEU A 80 6.905 -5.092 8.817 1.00 0.00 C ATOM 1174 C LEU A 80 6.547 -5.495 10.249 1.00 0.00 C ATOM 1175 O LEU A 80 6.953 -6.557 10.718 1.00 0.00 O ATOM 1176 CB LEU A 80 6.663 -6.198 7.788 1.00 0.00 C ATOM 1177 CG LEU A 80 5.200 -6.563 7.527 1.00 0.00 C ATOM 1178 CD1 LEU A 80 4.405 -5.342 7.060 1.00 0.00 C ATOM 1179 CD2 LEU A 80 5.093 -7.727 6.541 1.00 0.00 C ATOM 0 H LEU A 80 8.959 -5.310 9.170 1.00 0.00 H new ATOM 0 HA LEU A 80 6.237 -4.277 8.538 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.115 -5.894 6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.187 -7.095 8.118 1.00 0.00 H new ATOM 0 HG LEU A 80 4.758 -6.895 8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.369 -5.629 6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.440 -4.569 7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.839 -4.957 6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.043 -7.966 6.373 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.557 -7.447 5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.603 -8.599 6.951 1.00 0.00 H new ATOM 1191 N ASN A 81 5.791 -4.626 10.903 1.00 0.00 N ATOM 1192 CA ASN A 81 5.374 -4.878 12.272 1.00 0.00 C ATOM 1193 C ASN A 81 6.597 -4.834 13.189 1.00 0.00 C ATOM 1194 O ASN A 81 6.737 -3.920 14.001 1.00 0.00 O ATOM 1195 CB ASN A 81 4.732 -6.260 12.406 1.00 0.00 C ATOM 1196 CG ASN A 81 3.595 -6.437 11.397 1.00 0.00 C ATOM 1197 OD1 ASN A 81 2.588 -5.749 11.430 1.00 0.00 O ATOM 1198 ND2 ASN A 81 3.812 -7.395 10.500 1.00 0.00 N ATOM 0 H ASN A 81 5.456 -3.746 10.510 1.00 0.00 H new ATOM 0 HA ASN A 81 4.648 -4.114 12.550 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.486 -7.032 12.249 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.348 -6.390 13.418 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.113 -7.590 9.783 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.677 -7.934 10.529 1.00 0.00 H new ATOM 1205 N SER A 82 7.453 -5.833 13.030 1.00 0.00 N ATOM 1206 CA SER A 82 8.660 -5.920 13.834 1.00 0.00 C ATOM 1207 C SER A 82 9.644 -6.902 13.196 1.00 0.00 C ATOM 1208 O SER A 82 10.022 -7.897 13.813 1.00 0.00 O ATOM 1209 CB SER A 82 8.338 -6.347 15.267 1.00 0.00 C ATOM 1210 OG SER A 82 7.544 -7.530 15.306 1.00 0.00 O ATOM 0 H SER A 82 7.334 -6.589 12.356 1.00 0.00 H new ATOM 0 HA SER A 82 9.117 -4.931 13.873 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.267 -6.515 15.812 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.811 -5.540 15.776 1.00 0.00 H new ATOM 0 HG SER A 82 8.026 -8.262 14.867 1.00 0.00 H new ATOM 1216 N ASN A 83 10.031 -6.590 11.968 1.00 0.00 N ATOM 1217 CA ASN A 83 10.964 -7.432 11.239 1.00 0.00 C ATOM 1218 C ASN A 83 11.324 -6.760 9.913 1.00 0.00 C ATOM 1219 O ASN A 83 10.454 -6.226 9.227 1.00 0.00 O ATOM 1220 CB ASN A 83 10.345 -8.796 10.925 1.00 0.00 C ATOM 1221 CG ASN A 83 11.278 -9.932 11.346 1.00 0.00 C ATOM 1222 OD1 ASN A 83 12.492 -9.828 11.286 1.00 0.00 O ATOM 1223 ND2 ASN A 83 10.645 -11.021 11.775 1.00 0.00 N ATOM 0 H ASN A 83 9.715 -5.765 11.459 1.00 0.00 H new ATOM 0 HA ASN A 83 11.848 -7.571 11.861 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.391 -8.894 11.442 1.00 0.00 H new ATOM 0 HB3 ASN A 83 10.138 -8.868 9.857 1.00 0.00 H new ATOM 0 HD21 ASN A 83 11.179 -11.835 12.079 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.626 -11.042 11.800 1.00 0.00 H new ATOM 1230 N ALA A 84 12.609 -6.806 9.593 1.00 0.00 N ATOM 1231 CA ALA A 84 13.095 -6.208 8.361 1.00 0.00 C ATOM 1232 C ALA A 84 12.808 -7.152 7.192 1.00 0.00 C ATOM 1233 O ALA A 84 13.323 -8.269 7.150 1.00 0.00 O ATOM 1234 CB ALA A 84 14.586 -5.890 8.501 1.00 0.00 C ATOM 0 H ALA A 84 13.328 -7.248 10.165 1.00 0.00 H new ATOM 0 HA ALA A 84 12.578 -5.269 8.161 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.951 -5.441 7.577 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.733 -5.193 9.326 1.00 0.00 H new ATOM 0 HB3 ALA A 84 15.137 -6.809 8.700 1.00 0.00 H new ATOM 1240 N LEU A 85 11.986 -6.670 6.272 1.00 0.00 N ATOM 1241 CA LEU A 85 11.624 -7.457 5.105 1.00 0.00 C ATOM 1242 C LEU A 85 12.893 -7.841 4.341 1.00 0.00 C ATOM 1243 O LEU A 85 13.997 -7.478 4.742 1.00 0.00 O ATOM 1244 CB LEU A 85 10.596 -6.711 4.254 1.00 0.00 C ATOM 1245 CG LEU A 85 9.297 -6.319 4.961 1.00 0.00 C ATOM 1246 CD1 LEU A 85 8.620 -5.144 4.253 1.00 0.00 C ATOM 1247 CD2 LEU A 85 8.361 -7.522 5.096 1.00 0.00 C ATOM 0 H LEU A 85 11.560 -5.744 6.311 1.00 0.00 H new ATOM 0 HA LEU A 85 11.140 -8.386 5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.063 -5.805 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.345 -7.333 3.395 1.00 0.00 H new ATOM 0 HG LEU A 85 9.544 -5.988 5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.699 -4.886 4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.290 -4.284 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.388 -5.423 3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.445 -7.216 5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.117 -7.906 4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.853 -8.302 5.677 1.00 0.00 H new ATOM 1259 N ASP A 86 12.692 -8.571 3.254 1.00 0.00 N ATOM 1260 CA ASP A 86 13.806 -9.009 2.430 1.00 0.00 C ATOM 1261 C ASP A 86 13.500 -8.703 0.962 1.00 0.00 C ATOM 1262 O ASP A 86 12.365 -8.860 0.515 1.00 0.00 O ATOM 1263 CB ASP A 86 14.029 -10.517 2.562 1.00 0.00 C ATOM 1264 CG ASP A 86 15.457 -10.930 2.923 1.00 0.00 C ATOM 1265 OD1 ASP A 86 15.792 -10.825 4.123 1.00 0.00 O ATOM 1266 OD2 ASP A 86 16.183 -11.340 1.991 1.00 0.00 O ATOM 0 H ASP A 86 11.774 -8.870 2.925 1.00 0.00 H new ATOM 0 HA ASP A 86 14.700 -8.482 2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.351 -10.904 3.323 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.756 -10.993 1.620 1.00 0.00 H new ATOM 1271 N PRO A 87 14.560 -8.261 0.234 1.00 0.00 N ATOM 1272 CA PRO A 87 14.416 -7.931 -1.174 1.00 0.00 C ATOM 1273 C PRO A 87 14.316 -9.198 -2.026 1.00 0.00 C ATOM 1274 O PRO A 87 13.722 -9.181 -3.103 1.00 0.00 O ATOM 1275 CB PRO A 87 15.635 -7.086 -1.507 1.00 0.00 C ATOM 1276 CG PRO A 87 16.646 -7.360 -0.405 1.00 0.00 C ATOM 1277 CD PRO A 87 15.919 -8.063 0.730 1.00 0.00 C ATOM 0 HA PRO A 87 13.498 -7.383 -1.386 1.00 0.00 H new ATOM 0 HB2 PRO A 87 16.040 -7.352 -2.483 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.378 -6.028 -1.546 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.460 -7.981 -0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.091 -6.429 -0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.393 -9.013 0.975 1.00 0.00 H new ATOM 0 HD3 PRO A 87 15.925 -7.460 1.638 1.00 0.00 H new ATOM 1285 N GLU A 88 14.905 -10.267 -1.511 1.00 0.00 N ATOM 1286 CA GLU A 88 14.890 -11.540 -2.211 1.00 0.00 C ATOM 1287 C GLU A 88 13.767 -12.429 -1.672 1.00 0.00 C ATOM 1288 O GLU A 88 13.896 -13.652 -1.647 1.00 0.00 O ATOM 1289 CB GLU A 88 16.245 -12.242 -2.102 1.00 0.00 C ATOM 1290 CG GLU A 88 17.341 -11.427 -2.790 1.00 0.00 C ATOM 1291 CD GLU A 88 18.597 -12.273 -3.011 1.00 0.00 C ATOM 1292 OE1 GLU A 88 19.427 -12.311 -2.078 1.00 0.00 O ATOM 1293 OE2 GLU A 88 18.697 -12.863 -4.109 1.00 0.00 O ATOM 0 H GLU A 88 15.396 -10.278 -0.617 1.00 0.00 H new ATOM 0 HA GLU A 88 14.701 -11.349 -3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.500 -12.388 -1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.184 -13.231 -2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.976 -11.055 -3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.587 -10.556 -2.182 1.00 0.00 H new ATOM 1300 N THR A 89 12.691 -11.779 -1.253 1.00 0.00 N ATOM 1301 CA THR A 89 11.546 -12.495 -0.715 1.00 0.00 C ATOM 1302 C THR A 89 10.284 -11.638 -0.820 1.00 0.00 C ATOM 1303 O THR A 89 10.360 -10.410 -0.811 1.00 0.00 O ATOM 1304 CB THR A 89 11.880 -12.912 0.718 1.00 0.00 C ATOM 1305 OG1 THR A 89 12.996 -13.787 0.575 1.00 0.00 O ATOM 1306 CG2 THR A 89 10.794 -13.793 1.340 1.00 0.00 C ATOM 0 H THR A 89 12.588 -10.764 -1.275 1.00 0.00 H new ATOM 0 HA THR A 89 11.337 -13.397 -1.291 1.00 0.00 H new ATOM 0 HB THR A 89 12.021 -12.022 1.331 1.00 0.00 H new ATOM 0 HG1 THR A 89 12.998 -14.170 -0.327 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.081 -14.061 2.357 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.851 -13.247 1.361 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.676 -14.699 0.746 1.00 0.00 H new ATOM 1314 N SER A 90 9.151 -12.319 -0.917 1.00 0.00 N ATOM 1315 CA SER A 90 7.874 -11.635 -1.024 1.00 0.00 C ATOM 1316 C SER A 90 6.952 -12.066 0.119 1.00 0.00 C ATOM 1317 O SER A 90 6.715 -13.257 0.314 1.00 0.00 O ATOM 1318 CB SER A 90 7.211 -11.914 -2.375 1.00 0.00 C ATOM 1319 OG SER A 90 7.036 -13.309 -2.606 1.00 0.00 O ATOM 0 H SER A 90 9.091 -13.337 -0.924 1.00 0.00 H new ATOM 0 HA SER A 90 8.054 -10.562 -0.953 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.242 -11.416 -2.413 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.820 -11.488 -3.172 1.00 0.00 H new ATOM 0 HG SER A 90 6.956 -13.775 -1.748 1.00 0.00 H new ATOM 1325 N VAL A 91 6.458 -11.074 0.844 1.00 0.00 N ATOM 1326 CA VAL A 91 5.568 -11.336 1.962 1.00 0.00 C ATOM 1327 C VAL A 91 4.130 -11.013 1.550 1.00 0.00 C ATOM 1328 O VAL A 91 3.905 -10.263 0.602 1.00 0.00 O ATOM 1329 CB VAL A 91 6.027 -10.550 3.192 1.00 0.00 C ATOM 1330 CG1 VAL A 91 5.192 -10.916 4.420 1.00 0.00 C ATOM 1331 CG2 VAL A 91 7.518 -10.770 3.458 1.00 0.00 C ATOM 0 H VAL A 91 6.657 -10.087 0.679 1.00 0.00 H new ATOM 0 HA VAL A 91 5.600 -12.391 2.236 1.00 0.00 H new ATOM 0 HB VAL A 91 5.875 -9.490 2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.539 -10.343 5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.144 -10.685 4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.297 -11.981 4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.819 -10.200 4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.704 -11.830 3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.095 -10.437 2.595 1.00 0.00 H new ATOM 1341 N ASN A 92 3.193 -11.597 2.283 1.00 0.00 N ATOM 1342 CA ASN A 92 1.783 -11.381 2.006 1.00 0.00 C ATOM 1343 C ASN A 92 1.207 -10.411 3.039 1.00 0.00 C ATOM 1344 O ASN A 92 1.060 -10.759 4.209 1.00 0.00 O ATOM 1345 CB ASN A 92 0.997 -12.691 2.098 1.00 0.00 C ATOM 1346 CG ASN A 92 1.086 -13.286 3.505 1.00 0.00 C ATOM 1347 OD1 ASN A 92 2.154 -13.581 4.016 1.00 0.00 O ATOM 1348 ND2 ASN A 92 -0.093 -13.445 4.100 1.00 0.00 N ATOM 0 H ASN A 92 3.383 -12.220 3.068 1.00 0.00 H new ATOM 0 HA ASN A 92 1.696 -10.977 0.997 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.047 -12.512 1.840 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.386 -13.405 1.372 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.141 -13.835 5.041 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.949 -13.177 3.615 1.00 0.00 H new ATOM 1355 N LEU A 93 0.897 -9.211 2.568 1.00 0.00 N ATOM 1356 CA LEU A 93 0.341 -8.188 3.437 1.00 0.00 C ATOM 1357 C LEU A 93 -0.807 -8.786 4.252 1.00 0.00 C ATOM 1358 O LEU A 93 -1.307 -9.863 3.930 1.00 0.00 O ATOM 1359 CB LEU A 93 -0.059 -6.955 2.624 1.00 0.00 C ATOM 1360 CG LEU A 93 1.088 -6.054 2.164 1.00 0.00 C ATOM 1361 CD1 LEU A 93 0.570 -4.910 1.289 1.00 0.00 C ATOM 1362 CD2 LEU A 93 1.895 -5.541 3.358 1.00 0.00 C ATOM 0 H LEU A 93 1.020 -8.925 1.597 1.00 0.00 H new ATOM 0 HA LEU A 93 1.091 -7.843 4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.609 -7.288 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.747 -6.357 3.222 1.00 0.00 H new ATOM 0 HG LEU A 93 1.764 -6.649 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.406 -4.285 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.074 -5.321 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.139 -4.309 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.704 -4.903 3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.244 -4.968 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.313 -6.386 3.905 1.00 0.00 H new ATOM 1374 N GLY A 94 -1.192 -8.061 5.292 1.00 0.00 N ATOM 1375 CA GLY A 94 -2.272 -8.507 6.156 1.00 0.00 C ATOM 1376 C GLY A 94 -2.970 -7.318 6.820 1.00 0.00 C ATOM 1377 O GLY A 94 -2.356 -6.273 7.033 1.00 0.00 O ATOM 0 H GLY A 94 -0.776 -7.168 5.556 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.995 -9.079 5.575 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.878 -9.176 6.921 1.00 0.00 H new ATOM 1381 N ASP A 95 -4.243 -7.516 7.128 1.00 0.00 N ATOM 1382 CA ASP A 95 -5.030 -6.473 7.763 1.00 0.00 C ATOM 1383 C ASP A 95 -4.456 -6.179 9.150 1.00 0.00 C ATOM 1384 O ASP A 95 -4.465 -7.043 10.026 1.00 0.00 O ATOM 1385 CB ASP A 95 -6.486 -6.911 7.937 1.00 0.00 C ATOM 1386 CG ASP A 95 -7.252 -6.184 9.044 1.00 0.00 C ATOM 1387 OD1 ASP A 95 -6.846 -5.045 9.362 1.00 0.00 O ATOM 1388 OD2 ASP A 95 -8.226 -6.783 9.549 1.00 0.00 O ATOM 0 H ASP A 95 -4.749 -8.383 6.950 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.993 -5.588 7.127 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.010 -6.760 6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.506 -7.981 8.145 1.00 0.00 H new ATOM 1393 N GLY A 96 -3.969 -4.957 9.307 1.00 0.00 N ATOM 1394 CA GLY A 96 -3.391 -4.538 10.573 1.00 0.00 C ATOM 1395 C GLY A 96 -1.865 -4.650 10.543 1.00 0.00 C ATOM 1396 O GLY A 96 -1.223 -4.702 11.591 1.00 0.00 O ATOM 0 H GLY A 96 -3.963 -4.243 8.578 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.680 -3.509 10.786 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.789 -5.154 11.380 1.00 0.00 H new ATOM 1400 N ASP A 97 -1.330 -4.685 9.332 1.00 0.00 N ATOM 1401 CA ASP A 97 0.108 -4.790 9.152 1.00 0.00 C ATOM 1402 C ASP A 97 0.713 -3.386 9.080 1.00 0.00 C ATOM 1403 O ASP A 97 0.296 -2.568 8.262 1.00 0.00 O ATOM 1404 CB ASP A 97 0.448 -5.518 7.850 1.00 0.00 C ATOM 1405 CG ASP A 97 0.225 -7.031 7.878 1.00 0.00 C ATOM 1406 OD1 ASP A 97 -0.509 -7.480 8.785 1.00 0.00 O ATOM 1407 OD2 ASP A 97 0.793 -7.706 6.992 1.00 0.00 O ATOM 0 H ASP A 97 -1.866 -4.643 8.465 1.00 0.00 H new ATOM 0 HA ASP A 97 0.513 -5.350 9.995 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.152 -5.092 7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.492 -5.324 7.605 1.00 0.00 H new ATOM 1412 N VAL A 98 1.685 -3.151 9.948 1.00 0.00 N ATOM 1413 CA VAL A 98 2.351 -1.860 9.994 1.00 0.00 C ATOM 1414 C VAL A 98 3.663 -1.940 9.210 1.00 0.00 C ATOM 1415 O VAL A 98 4.544 -2.730 9.548 1.00 0.00 O ATOM 1416 CB VAL A 98 2.549 -1.424 11.447 1.00 0.00 C ATOM 1417 CG1 VAL A 98 3.728 -0.458 11.574 1.00 0.00 C ATOM 1418 CG2 VAL A 98 1.269 -0.805 12.012 1.00 0.00 C ATOM 0 H VAL A 98 2.028 -3.832 10.625 1.00 0.00 H new ATOM 0 HA VAL A 98 1.735 -1.096 9.521 1.00 0.00 H new ATOM 0 HB VAL A 98 2.780 -2.312 12.035 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.847 -0.164 12.617 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.639 -0.948 11.229 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.540 0.427 10.966 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.436 -0.504 13.046 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.995 0.068 11.419 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.463 -1.538 11.974 1.00 0.00 H new ATOM 1428 N ILE A 99 3.751 -1.113 8.180 1.00 0.00 N ATOM 1429 CA ILE A 99 4.941 -1.080 7.346 1.00 0.00 C ATOM 1430 C ILE A 99 5.784 0.142 7.715 1.00 0.00 C ATOM 1431 O ILE A 99 5.375 1.278 7.478 1.00 0.00 O ATOM 1432 CB ILE A 99 4.559 -1.138 5.865 1.00 0.00 C ATOM 1433 CG1 ILE A 99 3.568 -2.273 5.599 1.00 0.00 C ATOM 1434 CG2 ILE A 99 5.803 -1.245 4.982 1.00 0.00 C ATOM 1435 CD1 ILE A 99 2.740 -1.995 4.343 1.00 0.00 C ATOM 0 H ILE A 99 3.018 -0.460 7.903 1.00 0.00 H new ATOM 0 HA ILE A 99 5.558 -1.960 7.528 1.00 0.00 H new ATOM 0 HB ILE A 99 4.058 -0.205 5.604 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.108 -3.212 5.482 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.906 -2.391 6.457 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.503 -1.285 3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.440 -0.376 5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.353 -2.151 5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 99 2.044 -2.817 4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.182 -1.068 4.473 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.403 -1.902 3.483 1.00 0.00 H new ATOM 1447 N LYS A 100 6.946 -0.133 8.290 1.00 0.00 N ATOM 1448 CA LYS A 100 7.850 0.930 8.695 1.00 0.00 C ATOM 1449 C LYS A 100 8.917 1.124 7.616 1.00 0.00 C ATOM 1450 O LYS A 100 9.836 0.315 7.494 1.00 0.00 O ATOM 1451 CB LYS A 100 8.425 0.644 10.084 1.00 0.00 C ATOM 1452 CG LYS A 100 7.508 1.192 11.180 1.00 0.00 C ATOM 1453 CD LYS A 100 7.594 0.336 12.445 1.00 0.00 C ATOM 1454 CE LYS A 100 8.384 1.055 13.541 1.00 0.00 C ATOM 1455 NZ LYS A 100 8.333 0.287 14.805 1.00 0.00 N ATOM 0 H LYS A 100 7.282 -1.076 8.485 1.00 0.00 H new ATOM 0 HA LYS A 100 7.312 1.874 8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.552 -0.431 10.215 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.413 1.095 10.172 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.787 2.220 11.412 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.479 1.214 10.821 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.590 0.110 12.804 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.071 -0.616 12.213 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.420 1.182 13.227 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.974 2.053 13.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.874 0.789 15.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.344 0.188 15.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.745 -0.656 14.655 1.00 0.00 H new ATOM 1469 N LEU A 101 8.760 2.201 6.861 1.00 0.00 N ATOM 1470 CA LEU A 101 9.699 2.512 5.796 1.00 0.00 C ATOM 1471 C LEU A 101 10.220 3.938 5.982 1.00 0.00 C ATOM 1472 O LEU A 101 9.532 4.785 6.549 1.00 0.00 O ATOM 1473 CB LEU A 101 9.059 2.264 4.428 1.00 0.00 C ATOM 1474 CG LEU A 101 7.996 3.274 3.992 1.00 0.00 C ATOM 1475 CD1 LEU A 101 8.021 3.476 2.476 1.00 0.00 C ATOM 1476 CD2 LEU A 101 6.611 2.863 4.494 1.00 0.00 C ATOM 0 H LEU A 101 7.997 2.869 6.965 1.00 0.00 H new ATOM 0 HA LEU A 101 10.562 1.848 5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.849 2.250 3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.608 1.272 4.434 1.00 0.00 H new ATOM 0 HG LEU A 101 8.231 4.236 4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.256 4.199 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.000 3.848 2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.825 2.526 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.874 3.598 4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.352 1.886 4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.619 2.812 5.583 1.00 0.00 H new ATOM 1488 N GLY A 102 11.432 4.160 5.493 1.00 0.00 N ATOM 1489 CA GLY A 102 12.053 5.469 5.598 1.00 0.00 C ATOM 1490 C GLY A 102 12.672 5.672 6.982 1.00 0.00 C ATOM 1491 O GLY A 102 13.341 4.782 7.504 1.00 0.00 O ATOM 0 H GLY A 102 12.000 3.455 5.023 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.822 5.573 4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.310 6.244 5.411 1.00 0.00 H new ATOM 1495 N GLU A 103 12.428 6.850 7.537 1.00 0.00 N ATOM 1496 CA GLU A 103 12.953 7.182 8.850 1.00 0.00 C ATOM 1497 C GLU A 103 11.866 7.013 9.915 1.00 0.00 C ATOM 1498 O GLU A 103 11.981 6.161 10.794 1.00 0.00 O ATOM 1499 CB GLU A 103 13.523 8.602 8.870 1.00 0.00 C ATOM 1500 CG GLU A 103 14.526 8.805 7.733 1.00 0.00 C ATOM 1501 CD GLU A 103 15.565 9.867 8.101 1.00 0.00 C ATOM 1502 OE1 GLU A 103 15.142 11.023 8.318 1.00 0.00 O ATOM 1503 OE2 GLU A 103 16.758 9.498 8.157 1.00 0.00 O ATOM 0 H GLU A 103 11.873 7.587 7.101 1.00 0.00 H new ATOM 0 HA GLU A 103 13.768 6.495 9.078 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.712 9.325 8.778 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.010 8.789 9.827 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.027 7.862 7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.999 9.105 6.828 1.00 0.00 H new ATOM 1510 N TYR A 104 10.837 7.839 9.800 1.00 0.00 N ATOM 1511 CA TYR A 104 9.731 7.792 10.741 1.00 0.00 C ATOM 1512 C TYR A 104 8.389 7.740 10.008 1.00 0.00 C ATOM 1513 O TYR A 104 7.484 8.517 10.307 1.00 0.00 O ATOM 1514 CB TYR A 104 9.808 9.090 11.548 1.00 0.00 C ATOM 1515 CG TYR A 104 10.963 9.132 12.550 1.00 0.00 C ATOM 1516 CD1 TYR A 104 10.834 8.516 13.778 1.00 0.00 C ATOM 1517 CD2 TYR A 104 12.134 9.786 12.226 1.00 0.00 C ATOM 1518 CE1 TYR A 104 11.921 8.556 14.721 1.00 0.00 C ATOM 1519 CE2 TYR A 104 13.221 9.826 13.169 1.00 0.00 C ATOM 1520 CZ TYR A 104 13.061 9.209 14.370 1.00 0.00 C ATOM 1521 OH TYR A 104 14.088 9.247 15.261 1.00 0.00 O ATOM 0 H TYR A 104 10.746 8.545 9.069 1.00 0.00 H new ATOM 0 HA TYR A 104 9.800 6.904 11.370 1.00 0.00 H new ATOM 0 HB2 TYR A 104 9.908 9.929 10.859 1.00 0.00 H new ATOM 0 HB3 TYR A 104 8.870 9.228 12.085 1.00 0.00 H new ATOM 0 HD1 TYR A 104 9.918 8.004 14.032 1.00 0.00 H new ATOM 0 HD2 TYR A 104 12.235 10.268 11.265 1.00 0.00 H new ATOM 0 HE1 TYR A 104 11.833 8.078 15.686 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.143 10.335 12.928 1.00 0.00 H new ATOM 0 HH TYR A 104 14.838 9.746 14.875 1.00 0.00 H new ATOM 1531 N THR A 105 8.303 6.816 9.062 1.00 0.00 N ATOM 1532 CA THR A 105 7.087 6.652 8.284 1.00 0.00 C ATOM 1533 C THR A 105 6.544 5.230 8.437 1.00 0.00 C ATOM 1534 O THR A 105 7.250 4.259 8.165 1.00 0.00 O ATOM 1535 CB THR A 105 7.398 7.031 6.835 1.00 0.00 C ATOM 1536 OG1 THR A 105 7.308 8.453 6.822 1.00 0.00 O ATOM 1537 CG2 THR A 105 6.305 6.580 5.864 1.00 0.00 C ATOM 0 H THR A 105 9.056 6.173 8.817 1.00 0.00 H new ATOM 0 HA THR A 105 6.295 7.309 8.644 1.00 0.00 H new ATOM 0 HB THR A 105 8.350 6.589 6.540 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.110 8.828 6.401 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.575 6.874 4.850 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.200 5.496 5.912 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.359 7.048 6.137 1.00 0.00 H new ATOM 1545 N SER A 106 5.295 5.151 8.871 1.00 0.00 N ATOM 1546 CA SER A 106 4.649 3.863 9.063 1.00 0.00 C ATOM 1547 C SER A 106 3.337 3.814 8.278 1.00 0.00 C ATOM 1548 O SER A 106 2.594 4.793 8.241 1.00 0.00 O ATOM 1549 CB SER A 106 4.390 3.593 10.546 1.00 0.00 C ATOM 1550 OG SER A 106 5.568 3.753 11.332 1.00 0.00 O ATOM 0 H SER A 106 4.713 5.958 9.095 1.00 0.00 H new ATOM 0 HA SER A 106 5.317 3.086 8.691 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.618 4.271 10.908 1.00 0.00 H new ATOM 0 HB3 SER A 106 4.007 2.580 10.669 1.00 0.00 H new ATOM 0 HG SER A 106 5.360 3.574 12.273 1.00 0.00 H new ATOM 1556 N ILE A 107 3.092 2.663 7.668 1.00 0.00 N ATOM 1557 CA ILE A 107 1.883 2.473 6.886 1.00 0.00 C ATOM 1558 C ILE A 107 1.101 1.282 7.444 1.00 0.00 C ATOM 1559 O ILE A 107 1.690 0.266 7.810 1.00 0.00 O ATOM 1560 CB ILE A 107 2.221 2.345 5.399 1.00 0.00 C ATOM 1561 CG1 ILE A 107 3.109 3.502 4.937 1.00 0.00 C ATOM 1562 CG2 ILE A 107 0.950 2.225 4.556 1.00 0.00 C ATOM 1563 CD1 ILE A 107 3.532 3.319 3.478 1.00 0.00 C ATOM 0 H ILE A 107 3.711 1.853 7.700 1.00 0.00 H new ATOM 0 HA ILE A 107 1.236 3.346 6.968 1.00 0.00 H new ATOM 0 HB ILE A 107 2.790 1.426 5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.572 4.444 5.048 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.994 3.562 5.571 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.219 2.135 3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.391 1.342 4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.334 3.113 4.699 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.162 4.155 3.174 1.00 0.00 H new ATOM 0 HD12 ILE A 107 4.089 2.388 3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.646 3.284 2.844 1.00 0.00 H new ATOM 1575 N LEU A 108 -0.212 1.446 7.490 1.00 0.00 N ATOM 1576 CA LEU A 108 -1.080 0.397 7.997 1.00 0.00 C ATOM 1577 C LEU A 108 -1.868 -0.213 6.836 1.00 0.00 C ATOM 1578 O LEU A 108 -2.320 0.503 5.944 1.00 0.00 O ATOM 1579 CB LEU A 108 -1.964 0.932 9.126 1.00 0.00 C ATOM 1580 CG LEU A 108 -3.317 0.239 9.304 1.00 0.00 C ATOM 1581 CD1 LEU A 108 -3.134 -1.237 9.664 1.00 0.00 C ATOM 1582 CD2 LEU A 108 -4.180 0.977 10.329 1.00 0.00 C ATOM 0 H LEU A 108 -0.697 2.290 7.184 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.489 -0.406 8.438 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.411 0.852 10.062 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.142 1.993 8.950 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.847 0.274 8.352 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.111 -1.706 9.785 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.586 -1.740 8.868 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.575 -1.318 10.596 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.136 0.464 10.437 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.667 0.995 11.291 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.353 1.999 9.991 1.00 0.00 H new ATOM 1594 N VAL A 109 -2.008 -1.530 6.885 1.00 0.00 N ATOM 1595 CA VAL A 109 -2.733 -2.244 5.848 1.00 0.00 C ATOM 1596 C VAL A 109 -4.107 -2.653 6.381 1.00 0.00 C ATOM 1597 O VAL A 109 -4.204 -3.331 7.403 1.00 0.00 O ATOM 1598 CB VAL A 109 -1.905 -3.433 5.355 1.00 0.00 C ATOM 1599 CG1 VAL A 109 -2.726 -4.321 4.417 1.00 0.00 C ATOM 1600 CG2 VAL A 109 -0.617 -2.962 4.677 1.00 0.00 C ATOM 0 H VAL A 109 -1.632 -2.121 7.626 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.898 -1.599 4.985 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.626 -4.030 6.223 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.115 -5.158 4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.600 -4.700 4.947 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -3.049 -3.738 3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.048 -3.827 4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.865 -2.331 3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.019 -2.391 5.388 1.00 0.00 H new ATOM 1610 N ASN A 110 -5.136 -2.222 5.666 1.00 0.00 N ATOM 1611 CA ASN A 110 -6.501 -2.535 6.055 1.00 0.00 C ATOM 1612 C ASN A 110 -7.251 -3.107 4.851 1.00 0.00 C ATOM 1613 O ASN A 110 -7.239 -2.518 3.770 1.00 0.00 O ATOM 1614 CB ASN A 110 -7.241 -1.280 6.521 1.00 0.00 C ATOM 1615 CG ASN A 110 -7.387 -1.263 8.044 1.00 0.00 C ATOM 1616 OD1 ASN A 110 -6.283 -1.615 8.697 1.00 0.00 O flip ATOM 1617 ND2 ASN A 110 -8.432 -0.951 8.591 1.00 0.00 N flip ATOM 0 H ASN A 110 -5.052 -1.659 4.820 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.463 -3.256 6.872 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -6.700 -0.392 6.194 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.227 -1.241 6.057 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -9.243 -0.691 8.030 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -8.494 -0.950 9.609 1.00 0.00 H new ATOM 1624 N PHE A 111 -7.887 -4.247 5.077 1.00 0.00 N ATOM 1625 CA PHE A 111 -8.642 -4.905 4.024 1.00 0.00 C ATOM 1626 C PHE A 111 -10.106 -4.459 4.039 1.00 0.00 C ATOM 1627 O PHE A 111 -10.867 -4.845 4.925 1.00 0.00 O ATOM 1628 CB PHE A 111 -8.576 -6.408 4.299 1.00 0.00 C ATOM 1629 CG PHE A 111 -7.212 -7.036 4.003 1.00 0.00 C ATOM 1630 CD1 PHE A 111 -6.512 -6.653 2.901 1.00 0.00 C ATOM 1631 CD2 PHE A 111 -6.700 -7.976 4.841 1.00 0.00 C ATOM 1632 CE1 PHE A 111 -5.247 -7.235 2.627 1.00 0.00 C ATOM 1633 CE2 PHE A 111 -5.434 -8.558 4.566 1.00 0.00 C ATOM 1634 CZ PHE A 111 -4.734 -8.175 3.465 1.00 0.00 C ATOM 0 H PHE A 111 -7.895 -4.732 5.974 1.00 0.00 H new ATOM 0 HA PHE A 111 -8.223 -4.651 3.051 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.828 -6.587 5.344 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.334 -6.910 3.698 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.919 -5.906 2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.256 -8.280 5.716 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.691 -6.931 1.752 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.027 -9.305 5.232 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.771 -8.617 3.256 1.00 0.00 H new ATOM 1644 N VAL A 112 -10.456 -3.654 3.046 1.00 0.00 N ATOM 1645 CA VAL A 112 -11.815 -3.152 2.934 1.00 0.00 C ATOM 1646 C VAL A 112 -12.625 -4.084 2.030 1.00 0.00 C ATOM 1647 O VAL A 112 -12.111 -4.588 1.033 1.00 0.00 O ATOM 1648 CB VAL A 112 -11.799 -1.704 2.439 1.00 0.00 C ATOM 1649 CG1 VAL A 112 -13.189 -1.074 2.545 1.00 0.00 C ATOM 1650 CG2 VAL A 112 -10.762 -0.876 3.200 1.00 0.00 C ATOM 0 H VAL A 112 -9.822 -3.337 2.312 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.300 -3.142 3.910 1.00 0.00 H new ATOM 0 HB VAL A 112 -11.514 -1.712 1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -13.150 -0.045 2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -13.894 -1.643 1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.515 -1.084 3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.771 0.149 2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.003 -0.879 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.772 -1.307 3.051 1.00 0.00 H new ATOM 1660 N SER A 113 -13.878 -4.284 2.411 1.00 0.00 N ATOM 1661 CA SER A 113 -14.763 -5.146 1.647 1.00 0.00 C ATOM 1662 C SER A 113 -16.128 -4.475 1.477 1.00 0.00 C ATOM 1663 O SER A 113 -17.085 -4.822 2.168 1.00 0.00 O ATOM 1664 CB SER A 113 -14.923 -6.509 2.323 1.00 0.00 C ATOM 1665 OG SER A 113 -14.932 -7.576 1.378 1.00 0.00 O ATOM 0 H SER A 113 -14.301 -3.864 3.239 1.00 0.00 H new ATOM 0 HA SER A 113 -14.319 -5.308 0.665 1.00 0.00 H new ATOM 0 HB2 SER A 113 -14.109 -6.660 3.032 1.00 0.00 H new ATOM 0 HB3 SER A 113 -15.851 -6.523 2.895 1.00 0.00 H new ATOM 0 HG SER A 113 -15.034 -8.429 1.849 1.00 0.00 H new ATOM 1671 N GLY A 114 -16.175 -3.527 0.552 1.00 0.00 N ATOM 1672 CA GLY A 114 -17.406 -2.805 0.283 1.00 0.00 C ATOM 1673 C GLY A 114 -17.472 -1.510 1.095 1.00 0.00 C ATOM 1674 O GLY A 114 -16.617 -1.262 1.944 1.00 0.00 O ATOM 0 H GLY A 114 -15.380 -3.243 -0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -17.472 -2.575 -0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -18.262 -3.435 0.526 1.00 0.00 H new ATOM 1678 N PRO A 115 -18.521 -0.698 0.799 1.00 0.00 N ATOM 1679 CA PRO A 115 -18.710 0.565 1.493 1.00 0.00 C ATOM 1680 C PRO A 115 -19.240 0.338 2.910 1.00 0.00 C ATOM 1681 O PRO A 115 -20.428 0.082 3.098 1.00 0.00 O ATOM 1682 CB PRO A 115 -19.670 1.354 0.618 1.00 0.00 C ATOM 1683 CG PRO A 115 -20.345 0.335 -0.286 1.00 0.00 C ATOM 1684 CD PRO A 115 -19.553 -0.960 -0.200 1.00 0.00 C ATOM 0 HA PRO A 115 -17.778 1.113 1.633 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -20.404 1.885 1.224 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -19.138 2.104 0.032 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -21.377 0.173 0.025 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -20.375 0.697 -1.314 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -20.189 -1.794 0.097 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -19.115 -1.221 -1.163 1.00 0.00 H new ATOM 1692 N SER A 116 -18.333 0.441 3.870 1.00 0.00 N ATOM 1693 CA SER A 116 -18.695 0.251 5.265 1.00 0.00 C ATOM 1694 C SER A 116 -19.713 1.310 5.690 1.00 0.00 C ATOM 1695 O SER A 116 -19.704 2.427 5.176 1.00 0.00 O ATOM 1696 CB SER A 116 -17.460 0.309 6.167 1.00 0.00 C ATOM 1697 OG SER A 116 -17.209 -0.938 6.808 1.00 0.00 O ATOM 0 H SER A 116 -17.348 0.653 3.710 1.00 0.00 H new ATOM 0 HA SER A 116 -19.143 -0.737 5.371 1.00 0.00 H new ATOM 0 HB2 SER A 116 -16.591 0.593 5.574 1.00 0.00 H new ATOM 0 HB3 SER A 116 -17.598 1.083 6.922 1.00 0.00 H new ATOM 0 HG SER A 116 -16.412 -0.861 7.373 1.00 0.00 H new ATOM 1703 N SER A 117 -20.567 0.922 6.626 1.00 0.00 N ATOM 1704 CA SER A 117 -21.590 1.824 7.127 1.00 0.00 C ATOM 1705 C SER A 117 -21.837 1.562 8.614 1.00 0.00 C ATOM 1706 O SER A 117 -21.766 0.421 9.067 1.00 0.00 O ATOM 1707 CB SER A 117 -22.892 1.673 6.338 1.00 0.00 C ATOM 1708 OG SER A 117 -23.577 2.914 6.195 1.00 0.00 O ATOM 0 H SER A 117 -20.571 -0.005 7.051 1.00 0.00 H new ATOM 0 HA SER A 117 -21.236 2.847 6.999 1.00 0.00 H new ATOM 0 HB2 SER A 117 -22.673 1.264 5.352 1.00 0.00 H new ATOM 0 HB3 SER A 117 -23.541 0.957 6.843 1.00 0.00 H new ATOM 0 HG SER A 117 -24.402 2.775 5.684 1.00 0.00 H new ATOM 1714 N GLY A 118 -22.121 2.638 9.333 1.00 0.00 N ATOM 1715 CA GLY A 118 -22.378 2.539 10.759 1.00 0.00 C ATOM 1716 C GLY A 118 -23.873 2.670 11.057 1.00 0.00 C ATOM 1717 O GLY A 118 -24.372 2.086 12.018 1.00 0.00 O ATOM 0 H GLY A 118 -22.179 3.583 8.954 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -22.011 1.583 11.133 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -21.829 3.319 11.286 1.00 0.00 H new TER 1721 GLY A 118