USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 710 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 88 HIS : no HD1:sc= -4.69! C(o=-10!,f=-14!) USER MOD Set 1.2: A 89 HIS : no HD1:sc= -5.42! C(o=-10!,f=-20!) USER MOD Set 2.1: A 64 SER OG : rot -127:sc= 0.251! USER MOD Set 2.2: A 67 ASN : amide:sc= -5.71! C(o=-5.5!,f=-8.9!) USER MOD Set 3.1: A 31 GLN :FLIP amide:sc= -0.23 F(o=-3.4,f=-2.2) USER MOD Set 3.2: A 53 LYS NZ :NH3+ -175:sc= -1.93 (180deg=-2.19) USER MOD Set 4.1: A 51 ASN : amide:sc= -2.17! C(o=-2.4!,f=-6.2!) USER MOD Set 4.2: A 74 LYS NZ :NH3+ -145:sc= -0.954 (180deg=-2.77!) USER MOD Set 4.3: A 78 THR OG1 : rot 88:sc= 0.999 USER MOD Set 4.4: A 86 HIS :FLIP no HD1:sc= -0.273 F(o=-4,f=-2.4) USER MOD Set 5.1: A 43 GLN : amide:sc= -6.53! C(o=-7!,f=-11!) USER MOD Set 5.2: A 47 SER OG : rot 55:sc= -0.473 USER MOD Single : A 1 MET CE :methyl 153:sc= -0.203 (180deg=-1.24!) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.0314 (180deg=-0.577) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot -179:sc= -0.714 USER MOD Single : A 8 GLN : amide:sc= -2.8! C(o=-2.8!,f=-3.2!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -163:sc=-0.00306 (180deg=-0.325) USER MOD Single : A 19 LYS NZ :NH3+ 137:sc= -0.294 (180deg=-1.29!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 30:sc= -0.807 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 36 HIS : no HD1:sc= -0.322 K(o=-0.32,f=-1.2) USER MOD Single : A 37 GLN : amide:sc= -1.73! C(o=-1.7!,f=-2.7!) USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= -0.0386 (180deg=-0.509) USER MOD Single : A 52 LYS NZ :NH3+ 153:sc= 0.413 (180deg=0.129) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.146 K(o=-0.15,f=-0.65) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 68 GLN : amide:sc= -0.0191 K(o=-0.019,f=-1.7!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.466 K(o=-0.47,f=-1.5) USER MOD Single : A 76 GLN :FLIP amide:sc= -3.89! C(o=-4.7!,f=-3.9!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.0245 X(o=-0.025,f=0) USER MOD Single : A 87 HIS : no HE2:sc= -1.63 K(o=-1.6,f=-4.1!) USER MOD Single : A 90 HIS : no HD1:sc= 0.0409 K(o=0.041,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.433 4.657 19.508 1.00 0.00 N ATOM 2 CA MET A 1 -8.745 5.910 19.929 1.00 0.00 C ATOM 3 C MET A 1 -7.345 5.949 19.323 1.00 0.00 C ATOM 4 O MET A 1 -6.865 7.005 18.915 1.00 0.00 O ATOM 5 CB MET A 1 -8.654 5.950 21.456 1.00 0.00 C ATOM 6 CG MET A 1 -10.048 6.164 22.045 1.00 0.00 C ATOM 7 SD MET A 1 -9.953 6.104 23.852 1.00 0.00 S ATOM 8 CE MET A 1 -8.936 7.584 24.084 1.00 0.00 C ATOM 0 H1 MET A 1 -10.461 4.771 19.620 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.213 4.458 18.511 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.106 3.866 20.099 1.00 0.00 H new ATOM 0 HA MET A 1 -9.310 6.775 19.580 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.229 5.019 21.830 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.988 6.753 21.770 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.447 7.126 21.723 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.731 5.397 21.680 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.137 8.013 25.066 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.882 7.316 24.014 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.177 8.315 23.312 1.00 0.00 H new ATOM 20 N GLY A 2 -6.697 4.790 19.269 1.00 0.00 N ATOM 21 CA GLY A 2 -5.351 4.704 18.712 1.00 0.00 C ATOM 22 C GLY A 2 -4.801 3.288 18.834 1.00 0.00 C ATOM 23 O GLY A 2 -4.530 2.628 17.831 1.00 0.00 O ATOM 0 H GLY A 2 -7.078 3.904 19.601 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.367 5.003 17.664 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.693 5.400 19.232 1.00 0.00 H new ATOM 27 N GLN A 3 -4.639 2.826 20.070 1.00 0.00 N ATOM 28 CA GLN A 3 -4.122 1.485 20.312 1.00 0.00 C ATOM 29 C GLN A 3 -5.086 0.432 19.775 1.00 0.00 C ATOM 30 O GLN A 3 -4.664 -0.600 19.253 1.00 0.00 O ATOM 31 CB GLN A 3 -3.906 1.269 21.812 1.00 0.00 C ATOM 32 CG GLN A 3 -2.759 2.158 22.295 1.00 0.00 C ATOM 33 CD GLN A 3 -2.571 1.995 23.800 1.00 0.00 C ATOM 34 OE1 GLN A 3 -3.472 2.309 24.577 1.00 0.00 O ATOM 35 NE2 GLN A 3 -1.446 1.517 24.258 1.00 0.00 N ATOM 0 H GLN A 3 -4.857 3.357 20.914 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.169 1.385 19.792 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -4.819 1.505 22.359 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -3.677 0.222 22.010 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.839 1.893 21.774 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.971 3.200 22.057 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.701 1.258 23.611 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.312 1.403 25.263 1.00 0.00 H new ATOM 44 N ILE A 4 -6.384 0.700 19.907 1.00 0.00 N ATOM 45 CA ILE A 4 -7.407 -0.229 19.432 1.00 0.00 C ATOM 46 C ILE A 4 -7.812 0.107 18.002 1.00 0.00 C ATOM 47 O ILE A 4 -8.103 1.261 17.684 1.00 0.00 O ATOM 48 CB ILE A 4 -8.625 -0.168 20.337 1.00 0.00 C ATOM 49 CG1 ILE A 4 -8.229 -0.593 21.753 1.00 0.00 C ATOM 50 CG2 ILE A 4 -9.712 -1.107 19.808 1.00 0.00 C ATOM 51 CD1 ILE A 4 -9.380 -0.305 22.718 1.00 0.00 C ATOM 0 H ILE A 4 -6.751 1.549 20.337 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.993 -1.237 19.452 1.00 0.00 H new ATOM 0 HB ILE A 4 -9.009 0.852 20.355 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.985 -1.655 21.769 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.335 -0.055 22.068 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -10.583 -1.059 20.461 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -9.996 -0.803 18.801 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -9.331 -2.128 19.785 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.095 -0.609 23.725 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.603 0.762 22.710 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -10.263 -0.863 22.407 1.00 0.00 H new ATOM 63 N PHE A 5 -7.827 -0.906 17.140 1.00 0.00 N ATOM 64 CA PHE A 5 -8.196 -0.700 15.746 1.00 0.00 C ATOM 65 C PHE A 5 -9.686 -0.397 15.630 1.00 0.00 C ATOM 66 O PHE A 5 -10.516 -1.069 16.244 1.00 0.00 O ATOM 67 CB PHE A 5 -7.863 -1.951 14.931 1.00 0.00 C ATOM 68 CG PHE A 5 -6.366 -2.074 14.784 1.00 0.00 C ATOM 69 CD1 PHE A 5 -5.697 -1.334 13.802 1.00 0.00 C ATOM 70 CD2 PHE A 5 -5.647 -2.926 15.631 1.00 0.00 C ATOM 71 CE1 PHE A 5 -4.308 -1.447 13.667 1.00 0.00 C ATOM 72 CE2 PHE A 5 -4.258 -3.037 15.496 1.00 0.00 C ATOM 73 CZ PHE A 5 -3.589 -2.298 14.515 1.00 0.00 C ATOM 0 H PHE A 5 -7.590 -1.868 17.381 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.632 0.148 15.358 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.264 -2.836 15.424 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.332 -1.893 13.949 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.252 -0.676 13.149 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.164 -3.497 16.388 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.791 -0.878 12.909 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.703 -3.694 16.150 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.517 -2.384 14.412 1.00 0.00 H new ATOM 83 N THR A 6 -10.020 0.616 14.835 1.00 0.00 N ATOM 84 CA THR A 6 -11.415 0.996 14.647 1.00 0.00 C ATOM 85 C THR A 6 -12.085 0.078 13.632 1.00 0.00 C ATOM 86 O THR A 6 -11.419 -0.546 12.806 1.00 0.00 O ATOM 87 CB THR A 6 -11.500 2.450 14.162 1.00 0.00 C ATOM 88 OG1 THR A 6 -10.496 2.680 13.182 1.00 0.00 O ATOM 89 CG2 THR A 6 -11.297 3.403 15.341 1.00 0.00 C ATOM 0 H THR A 6 -9.350 1.183 14.315 1.00 0.00 H new ATOM 0 HA THR A 6 -11.932 0.902 15.602 1.00 0.00 H new ATOM 0 HB THR A 6 -12.483 2.628 13.725 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.539 3.612 12.882 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.358 4.433 14.991 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.071 3.227 16.088 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.317 3.229 15.785 1.00 0.00 H new ATOM 97 N VAL A 7 -13.410 0.012 13.698 1.00 0.00 N ATOM 98 CA VAL A 7 -14.171 -0.821 12.780 1.00 0.00 C ATOM 99 C VAL A 7 -14.002 -0.333 11.345 1.00 0.00 C ATOM 100 O VAL A 7 -13.789 -1.129 10.431 1.00 0.00 O ATOM 101 CB VAL A 7 -15.655 -0.802 13.163 1.00 0.00 C ATOM 102 CG1 VAL A 7 -16.154 0.647 13.235 1.00 0.00 C ATOM 103 CG2 VAL A 7 -16.465 -1.566 12.108 1.00 0.00 C ATOM 0 H VAL A 7 -13.976 0.524 14.375 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.794 -1.842 12.848 1.00 0.00 H new ATOM 0 HB VAL A 7 -15.781 -1.276 14.136 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -17.209 0.655 13.508 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.581 1.192 13.985 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.026 1.124 12.263 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -17.520 -1.553 12.380 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -16.335 -1.091 11.135 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.116 -2.597 12.058 1.00 0.00 H new ATOM 113 N GLN A 8 -14.108 0.976 11.152 1.00 0.00 N ATOM 114 CA GLN A 8 -13.976 1.553 9.819 1.00 0.00 C ATOM 115 C GLN A 8 -12.624 1.200 9.208 1.00 0.00 C ATOM 116 O GLN A 8 -12.543 0.795 8.049 1.00 0.00 O ATOM 117 CB GLN A 8 -14.128 3.078 9.896 1.00 0.00 C ATOM 118 CG GLN A 8 -14.518 3.636 8.523 1.00 0.00 C ATOM 119 CD GLN A 8 -13.393 3.392 7.524 1.00 0.00 C ATOM 120 OE1 GLN A 8 -12.239 3.725 7.795 1.00 0.00 O ATOM 121 NE2 GLN A 8 -13.660 2.827 6.379 1.00 0.00 N ATOM 0 H GLN A 8 -14.283 1.653 11.894 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.760 1.140 9.185 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.887 3.339 10.633 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.193 3.529 10.229 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.435 3.160 8.175 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.722 4.704 8.600 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.617 2.552 6.157 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.912 2.660 5.706 1.00 0.00 H new ATOM 130 N GLU A 9 -11.568 1.357 9.995 1.00 0.00 N ATOM 131 CA GLU A 9 -10.225 1.053 9.520 1.00 0.00 C ATOM 132 C GLU A 9 -10.061 -0.445 9.296 1.00 0.00 C ATOM 133 O GLU A 9 -9.373 -0.873 8.370 1.00 0.00 O ATOM 134 CB GLU A 9 -9.190 1.534 10.536 1.00 0.00 C ATOM 135 CG GLU A 9 -9.177 3.062 10.564 1.00 0.00 C ATOM 136 CD GLU A 9 -8.213 3.554 11.637 1.00 0.00 C ATOM 137 OE1 GLU A 9 -7.602 2.719 12.283 1.00 0.00 O ATOM 138 OE2 GLU A 9 -8.103 4.758 11.799 1.00 0.00 O ATOM 0 H GLU A 9 -11.614 1.690 10.958 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.071 1.569 8.572 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.427 1.143 11.526 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.202 1.156 10.272 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.879 3.450 9.590 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.180 3.439 10.764 1.00 0.00 H new ATOM 145 N LEU A 10 -10.696 -1.236 10.151 1.00 0.00 N ATOM 146 CA LEU A 10 -10.610 -2.686 10.038 1.00 0.00 C ATOM 147 C LEU A 10 -11.235 -3.157 8.732 1.00 0.00 C ATOM 148 O LEU A 10 -10.731 -4.079 8.090 1.00 0.00 O ATOM 149 CB LEU A 10 -11.316 -3.356 11.222 1.00 0.00 C ATOM 150 CG LEU A 10 -11.299 -4.887 11.058 1.00 0.00 C ATOM 151 CD1 LEU A 10 -9.855 -5.389 10.893 1.00 0.00 C ATOM 152 CD2 LEU A 10 -11.929 -5.531 12.298 1.00 0.00 C ATOM 0 H LEU A 10 -11.272 -0.902 10.924 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.557 -2.968 10.047 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.822 -3.078 12.153 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.345 -3.002 11.288 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.868 -5.159 10.169 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.858 -6.473 10.778 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.409 -4.931 10.010 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.273 -5.119 11.774 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.920 -6.615 12.189 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.358 -5.251 13.183 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.957 -5.185 12.405 1.00 0.00 H new ATOM 164 N LYS A 11 -12.336 -2.526 8.347 1.00 0.00 N ATOM 165 CA LYS A 11 -13.019 -2.899 7.117 1.00 0.00 C ATOM 166 C LYS A 11 -12.083 -2.789 5.921 1.00 0.00 C ATOM 167 O LYS A 11 -12.160 -3.589 4.991 1.00 0.00 O ATOM 168 CB LYS A 11 -14.244 -2.004 6.895 1.00 0.00 C ATOM 169 CG LYS A 11 -15.376 -2.428 7.832 1.00 0.00 C ATOM 170 CD LYS A 11 -16.600 -1.547 7.581 1.00 0.00 C ATOM 171 CE LYS A 11 -17.782 -2.073 8.395 1.00 0.00 C ATOM 172 NZ LYS A 11 -18.978 -1.221 8.145 1.00 0.00 N ATOM 0 H LYS A 11 -12.771 -1.761 8.863 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.343 -3.935 7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.981 -0.962 7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.573 -2.074 5.858 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.628 -3.475 7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -15.056 -2.338 8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.383 -0.516 7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.848 -1.544 6.520 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -17.995 -3.106 8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.536 -2.070 9.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.782 -1.580 8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.772 -0.242 8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -19.217 -1.246 7.133 1.00 0.00 H new ATOM 186 N GLU A 12 -11.206 -1.796 5.943 1.00 0.00 N ATOM 187 CA GLU A 12 -10.274 -1.600 4.839 1.00 0.00 C ATOM 188 C GLU A 12 -9.415 -2.847 4.634 1.00 0.00 C ATOM 189 O GLU A 12 -9.392 -3.422 3.546 1.00 0.00 O ATOM 190 CB GLU A 12 -9.370 -0.404 5.144 1.00 0.00 C ATOM 191 CG GLU A 12 -8.544 -0.043 3.907 1.00 0.00 C ATOM 192 CD GLU A 12 -9.444 0.579 2.845 1.00 0.00 C ATOM 193 OE1 GLU A 12 -10.604 0.813 3.146 1.00 0.00 O ATOM 194 OE2 GLU A 12 -8.962 0.814 1.750 1.00 0.00 O ATOM 0 H GLU A 12 -11.119 -1.120 6.702 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.843 -1.413 3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.974 0.450 5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.708 -0.641 5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.752 0.655 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.060 -0.935 3.509 1.00 0.00 H new ATOM 201 N ARG A 13 -8.715 -3.262 5.684 1.00 0.00 N ATOM 202 CA ARG A 13 -7.863 -4.444 5.601 1.00 0.00 C ATOM 203 C ARG A 13 -8.708 -5.710 5.503 1.00 0.00 C ATOM 204 O ARG A 13 -8.365 -6.645 4.780 1.00 0.00 O ATOM 205 CB ARG A 13 -6.956 -4.524 6.830 1.00 0.00 C ATOM 206 CG ARG A 13 -5.922 -3.399 6.773 1.00 0.00 C ATOM 207 CD ARG A 13 -5.036 -3.458 8.017 1.00 0.00 C ATOM 208 NE ARG A 13 -5.809 -3.109 9.204 1.00 0.00 N ATOM 209 CZ ARG A 13 -5.277 -3.195 10.418 1.00 0.00 C ATOM 210 NH1 ARG A 13 -4.047 -3.603 10.565 1.00 0.00 N ATOM 211 NH2 ARG A 13 -5.987 -2.874 11.465 1.00 0.00 N ATOM 0 H ARG A 13 -8.719 -2.803 6.595 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.249 -4.362 4.704 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.550 -4.441 7.740 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.455 -5.492 6.864 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.313 -3.496 5.874 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.423 -2.433 6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.618 -4.459 8.128 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.196 -2.772 7.907 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.774 -2.794 9.100 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.493 -3.856 9.747 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.639 -3.669 11.498 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.950 -2.557 11.351 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.579 -2.940 12.398 1.00 0.00 H new ATOM 225 N ALA A 14 -9.813 -5.729 6.237 1.00 0.00 N ATOM 226 CA ALA A 14 -10.707 -6.879 6.234 1.00 0.00 C ATOM 227 C ALA A 14 -11.492 -6.944 4.929 1.00 0.00 C ATOM 228 O ALA A 14 -12.200 -7.916 4.672 1.00 0.00 O ATOM 229 CB ALA A 14 -11.675 -6.795 7.421 1.00 0.00 C ATOM 0 H ALA A 14 -10.111 -4.963 6.841 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.106 -7.784 6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.339 -7.659 7.410 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.109 -6.784 8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.266 -5.882 7.345 1.00 0.00 H new ATOM 235 N LYS A 15 -11.384 -5.894 4.119 1.00 0.00 N ATOM 236 CA LYS A 15 -12.116 -5.850 2.854 1.00 0.00 C ATOM 237 C LYS A 15 -11.803 -7.078 2.000 1.00 0.00 C ATOM 238 O LYS A 15 -12.713 -7.723 1.483 1.00 0.00 O ATOM 239 CB LYS A 15 -11.729 -4.590 2.072 1.00 0.00 C ATOM 240 CG LYS A 15 -12.579 -4.490 0.810 1.00 0.00 C ATOM 241 CD LYS A 15 -12.245 -3.190 0.090 1.00 0.00 C ATOM 242 CE LYS A 15 -13.119 -3.066 -1.152 1.00 0.00 C ATOM 243 NZ LYS A 15 -12.728 -4.105 -2.147 1.00 0.00 N ATOM 0 H LYS A 15 -10.807 -5.075 4.310 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.182 -5.837 3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.875 -3.706 2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.672 -4.623 1.809 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.387 -5.342 0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -13.638 -4.517 1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.411 -2.340 0.752 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.191 -3.175 -0.189 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.169 -3.183 -0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.010 -2.073 -1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.106 -3.850 -3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.691 -4.164 -2.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.113 -5.026 -1.857 1.00 0.00 H new ATOM 257 N VAL A 16 -10.518 -7.399 1.875 1.00 0.00 N ATOM 258 CA VAL A 16 -10.089 -8.559 1.088 1.00 0.00 C ATOM 259 C VAL A 16 -10.862 -8.639 -0.228 1.00 0.00 C ATOM 260 O VAL A 16 -11.683 -7.776 -0.535 1.00 0.00 O ATOM 261 CB VAL A 16 -10.272 -9.857 1.917 1.00 0.00 C ATOM 262 CG1 VAL A 16 -11.763 -10.153 2.173 1.00 0.00 C ATOM 263 CG2 VAL A 16 -9.628 -11.058 1.191 1.00 0.00 C ATOM 0 H VAL A 16 -9.755 -6.876 2.306 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.032 -8.446 0.846 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.778 -9.705 2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.857 -11.069 2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.209 -9.325 2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.279 -10.275 1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.766 -11.960 1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.100 -11.191 0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.563 -10.872 1.055 1.00 0.00 H new ATOM 273 N PHE A 17 -10.600 -9.685 -0.997 1.00 0.00 N ATOM 274 CA PHE A 17 -11.292 -9.881 -2.259 1.00 0.00 C ATOM 275 C PHE A 17 -12.679 -10.460 -1.999 1.00 0.00 C ATOM 276 O PHE A 17 -12.855 -11.284 -1.102 1.00 0.00 O ATOM 277 CB PHE A 17 -10.500 -10.837 -3.146 1.00 0.00 C ATOM 278 CG PHE A 17 -9.122 -10.275 -3.375 1.00 0.00 C ATOM 279 CD1 PHE A 17 -8.918 -9.325 -4.381 1.00 0.00 C ATOM 280 CD2 PHE A 17 -8.051 -10.701 -2.582 1.00 0.00 C ATOM 281 CE1 PHE A 17 -7.640 -8.799 -4.596 1.00 0.00 C ATOM 282 CE2 PHE A 17 -6.771 -10.175 -2.798 1.00 0.00 C ATOM 283 CZ PHE A 17 -6.566 -9.223 -3.805 1.00 0.00 C ATOM 0 H PHE A 17 -9.916 -10.407 -0.770 1.00 0.00 H new ATOM 0 HA PHE A 17 -11.387 -8.920 -2.764 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.432 -11.817 -2.674 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.012 -10.976 -4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.747 -8.998 -4.991 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.211 -11.434 -1.805 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.482 -8.065 -5.373 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.942 -10.503 -2.188 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.579 -8.816 -3.971 1.00 0.00 H new ATOM 293 N ALA A 18 -13.658 -10.028 -2.788 1.00 0.00 N ATOM 294 CA ALA A 18 -15.028 -10.513 -2.633 1.00 0.00 C ATOM 295 C ALA A 18 -15.571 -10.170 -1.251 1.00 0.00 C ATOM 296 O ALA A 18 -14.871 -10.303 -0.247 1.00 0.00 O ATOM 297 CB ALA A 18 -15.078 -12.026 -2.841 1.00 0.00 C ATOM 0 H ALA A 18 -13.531 -9.347 -3.537 1.00 0.00 H new ATOM 0 HA ALA A 18 -15.648 -10.023 -3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -16.104 -12.376 -2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -14.725 -12.267 -3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.441 -12.516 -2.105 1.00 0.00 H new ATOM 303 N LYS A 19 -16.823 -9.721 -1.203 1.00 0.00 N ATOM 304 CA LYS A 19 -17.441 -9.355 0.067 1.00 0.00 C ATOM 305 C LYS A 19 -17.978 -10.593 0.789 1.00 0.00 C ATOM 306 O LYS A 19 -18.449 -11.535 0.148 1.00 0.00 O ATOM 307 CB LYS A 19 -18.587 -8.370 -0.177 1.00 0.00 C ATOM 308 CG LYS A 19 -18.165 -7.354 -1.237 1.00 0.00 C ATOM 309 CD LYS A 19 -16.864 -6.676 -0.806 1.00 0.00 C ATOM 310 CE LYS A 19 -16.639 -5.421 -1.648 1.00 0.00 C ATOM 311 NZ LYS A 19 -17.773 -4.478 -1.439 1.00 0.00 N ATOM 0 H LYS A 19 -17.423 -9.603 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.682 -8.887 0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.478 -8.905 -0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.846 -7.859 0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.028 -7.851 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.948 -6.608 -1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.911 -6.414 0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.026 -7.363 -0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.699 -4.945 -1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.561 -5.686 -2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.405 -3.511 -1.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.414 -4.519 -2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.293 -4.745 -0.579 1.00 0.00 H new ATOM 325 N PRO A 20 -17.929 -10.614 2.103 1.00 0.00 N ATOM 326 CA PRO A 20 -18.435 -11.767 2.902 1.00 0.00 C ATOM 327 C PRO A 20 -19.954 -11.894 2.820 1.00 0.00 C ATOM 328 O PRO A 20 -20.673 -10.894 2.787 1.00 0.00 O ATOM 329 CB PRO A 20 -17.972 -11.456 4.334 1.00 0.00 C ATOM 330 CG PRO A 20 -17.831 -9.970 4.377 1.00 0.00 C ATOM 331 CD PRO A 20 -17.391 -9.550 2.974 1.00 0.00 C ATOM 0 HA PRO A 20 -18.056 -12.721 2.536 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.697 -11.806 5.069 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.027 -11.949 4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.774 -9.496 4.649 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.096 -9.669 5.123 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -17.791 -8.572 2.705 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -16.306 -9.482 2.899 1.00 0.00 H new ATOM 339 N ILE A 21 -20.425 -13.138 2.791 1.00 0.00 N ATOM 340 CA ILE A 21 -21.854 -13.422 2.716 1.00 0.00 C ATOM 341 C ILE A 21 -22.443 -13.552 4.116 1.00 0.00 C ATOM 342 O ILE A 21 -21.792 -14.064 5.024 1.00 0.00 O ATOM 343 CB ILE A 21 -22.099 -14.718 1.920 1.00 0.00 C ATOM 344 CG1 ILE A 21 -21.674 -15.964 2.727 1.00 0.00 C ATOM 345 CG2 ILE A 21 -21.314 -14.675 0.606 1.00 0.00 C ATOM 346 CD1 ILE A 21 -20.192 -15.894 3.130 1.00 0.00 C ATOM 0 H ILE A 21 -19.834 -13.969 2.818 1.00 0.00 H new ATOM 0 HA ILE A 21 -22.345 -12.595 2.204 1.00 0.00 H new ATOM 0 HB ILE A 21 -23.167 -14.788 1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -22.292 -16.048 3.621 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -21.849 -16.861 2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -21.490 -15.594 0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -21.642 -13.821 0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -20.250 -14.580 0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -19.926 -16.787 3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -19.574 -15.835 2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -20.024 -15.010 3.745 1.00 0.00 H new ATOM 358 N GLY A 22 -23.678 -13.093 4.287 1.00 0.00 N ATOM 359 CA GLY A 22 -24.338 -13.177 5.586 1.00 0.00 C ATOM 360 C GLY A 22 -23.912 -12.030 6.493 1.00 0.00 C ATOM 361 O GLY A 22 -22.759 -11.599 6.470 1.00 0.00 O ATOM 0 H GLY A 22 -24.238 -12.663 3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -25.419 -13.155 5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -24.096 -14.128 6.060 1.00 0.00 H new ATOM 365 N ALA A 23 -24.854 -11.543 7.291 1.00 0.00 N ATOM 366 CA ALA A 23 -24.574 -10.445 8.209 1.00 0.00 C ATOM 367 C ALA A 23 -23.838 -10.951 9.446 1.00 0.00 C ATOM 368 O ALA A 23 -23.641 -10.209 10.408 1.00 0.00 O ATOM 369 CB ALA A 23 -25.880 -9.768 8.625 1.00 0.00 C ATOM 0 H ALA A 23 -25.813 -11.888 7.322 1.00 0.00 H new ATOM 0 HA ALA A 23 -23.938 -9.722 7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -25.663 -8.949 9.311 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -26.385 -9.377 7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -26.525 -10.494 9.120 1.00 0.00 H new ATOM 375 N SER A 24 -23.441 -12.219 9.416 1.00 0.00 N ATOM 376 CA SER A 24 -22.732 -12.815 10.545 1.00 0.00 C ATOM 377 C SER A 24 -21.283 -12.339 10.581 1.00 0.00 C ATOM 378 O SER A 24 -20.592 -12.500 11.586 1.00 0.00 O ATOM 379 CB SER A 24 -22.767 -14.339 10.436 1.00 0.00 C ATOM 380 OG SER A 24 -22.034 -14.746 9.287 1.00 0.00 O ATOM 0 H SER A 24 -23.596 -12.850 8.630 1.00 0.00 H new ATOM 0 HA SER A 24 -23.227 -12.504 11.465 1.00 0.00 H new ATOM 0 HB2 SER A 24 -22.340 -14.789 11.332 1.00 0.00 H new ATOM 0 HB3 SER A 24 -23.798 -14.686 10.366 1.00 0.00 H new ATOM 0 HG SER A 24 -22.053 -15.723 9.216 1.00 0.00 H new ATOM 386 N TYR A 25 -20.831 -11.754 9.477 1.00 0.00 N ATOM 387 CA TYR A 25 -19.463 -11.259 9.389 1.00 0.00 C ATOM 388 C TYR A 25 -19.273 -10.049 10.300 1.00 0.00 C ATOM 389 O TYR A 25 -18.202 -9.858 10.877 1.00 0.00 O ATOM 390 CB TYR A 25 -19.136 -10.874 7.946 1.00 0.00 C ATOM 391 CG TYR A 25 -17.675 -10.511 7.841 1.00 0.00 C ATOM 392 CD1 TYR A 25 -16.713 -11.522 7.717 1.00 0.00 C ATOM 393 CD2 TYR A 25 -17.280 -9.168 7.870 1.00 0.00 C ATOM 394 CE1 TYR A 25 -15.357 -11.190 7.621 1.00 0.00 C ATOM 395 CE2 TYR A 25 -15.923 -8.837 7.773 1.00 0.00 C ATOM 396 CZ TYR A 25 -14.962 -9.848 7.649 1.00 0.00 C ATOM 397 OH TYR A 25 -13.625 -9.522 7.554 1.00 0.00 O ATOM 0 H TYR A 25 -21.389 -11.612 8.635 1.00 0.00 H new ATOM 0 HA TYR A 25 -18.788 -12.052 9.711 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -19.365 -11.703 7.276 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -19.754 -10.032 7.634 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -17.018 -12.558 7.696 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -18.021 -8.388 7.967 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -14.616 -11.969 7.525 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -15.617 -7.801 7.794 1.00 0.00 H new ATOM 0 HH TYR A 25 -13.160 -10.201 7.022 1.00 0.00 H new ATOM 407 N GLN A 26 -20.319 -9.239 10.425 1.00 0.00 N ATOM 408 CA GLN A 26 -20.258 -8.053 11.273 1.00 0.00 C ATOM 409 C GLN A 26 -20.021 -8.440 12.727 1.00 0.00 C ATOM 410 O GLN A 26 -19.627 -7.608 13.541 1.00 0.00 O ATOM 411 CB GLN A 26 -21.564 -7.261 11.168 1.00 0.00 C ATOM 412 CG GLN A 26 -21.626 -6.561 9.813 1.00 0.00 C ATOM 413 CD GLN A 26 -22.969 -5.856 9.649 1.00 0.00 C ATOM 414 OE1 GLN A 26 -23.789 -5.860 10.569 1.00 0.00 O ATOM 415 NE2 GLN A 26 -23.248 -5.250 8.527 1.00 0.00 N ATOM 0 H GLN A 26 -21.213 -9.380 9.954 1.00 0.00 H new ATOM 0 HA GLN A 26 -19.428 -7.436 10.930 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -22.417 -7.929 11.284 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -21.622 -6.527 11.972 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -20.814 -5.838 9.731 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -21.488 -7.288 9.013 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -22.569 -5.247 7.766 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -24.145 -4.779 8.411 1.00 0.00 H new ATOM 424 N GLY A 27 -20.259 -9.707 13.046 1.00 0.00 N ATOM 425 CA GLY A 27 -20.066 -10.183 14.410 1.00 0.00 C ATOM 426 C GLY A 27 -18.685 -9.794 14.923 1.00 0.00 C ATOM 427 O GLY A 27 -18.527 -9.420 16.085 1.00 0.00 O ATOM 0 H GLY A 27 -20.582 -10.416 12.387 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.833 -9.762 15.060 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.180 -11.267 14.442 1.00 0.00 H new ATOM 431 N ILE A 28 -17.687 -9.877 14.049 1.00 0.00 N ATOM 432 CA ILE A 28 -16.325 -9.520 14.426 1.00 0.00 C ATOM 433 C ILE A 28 -16.196 -8.013 14.611 1.00 0.00 C ATOM 434 O ILE A 28 -15.309 -7.545 15.321 1.00 0.00 O ATOM 435 CB ILE A 28 -15.334 -9.997 13.364 1.00 0.00 C ATOM 436 CG1 ILE A 28 -15.340 -11.525 13.326 1.00 0.00 C ATOM 437 CG2 ILE A 28 -13.925 -9.499 13.710 1.00 0.00 C ATOM 438 CD1 ILE A 28 -14.538 -12.008 12.119 1.00 0.00 C ATOM 0 H ILE A 28 -17.794 -10.186 13.083 1.00 0.00 H new ATOM 0 HA ILE A 28 -16.096 -10.011 15.372 1.00 0.00 H new ATOM 0 HB ILE A 28 -15.624 -9.602 12.390 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -14.910 -11.924 14.245 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -16.364 -11.894 13.267 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -13.222 -9.841 12.951 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.922 -8.410 13.743 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.629 -9.892 14.683 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -14.542 -13.098 12.092 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -14.988 -11.620 11.205 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -13.511 -11.651 12.198 1.00 0.00 H new ATOM 450 N LEU A 29 -17.079 -7.257 13.958 1.00 0.00 N ATOM 451 CA LEU A 29 -17.050 -5.796 14.053 1.00 0.00 C ATOM 452 C LEU A 29 -17.960 -5.314 15.176 1.00 0.00 C ATOM 453 O LEU A 29 -17.720 -4.274 15.782 1.00 0.00 O ATOM 454 CB LEU A 29 -17.509 -5.183 12.730 1.00 0.00 C ATOM 455 CG LEU A 29 -16.724 -5.804 11.572 1.00 0.00 C ATOM 456 CD1 LEU A 29 -17.172 -5.176 10.251 1.00 0.00 C ATOM 457 CD2 LEU A 29 -15.219 -5.576 11.775 1.00 0.00 C ATOM 0 H LEU A 29 -17.818 -7.628 13.361 1.00 0.00 H new ATOM 0 HA LEU A 29 -16.028 -5.484 14.268 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -18.577 -5.353 12.591 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -17.358 -4.104 12.747 1.00 0.00 H new ATOM 0 HG LEU A 29 -16.918 -6.876 11.544 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -16.611 -5.620 9.428 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -18.237 -5.358 10.104 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -16.988 -4.102 10.278 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -14.669 -6.021 10.946 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -15.015 -4.506 11.813 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.904 -6.039 12.710 1.00 0.00 H new ATOM 469 N ASP A 30 -19.006 -6.076 15.450 1.00 0.00 N ATOM 470 CA ASP A 30 -19.938 -5.713 16.507 1.00 0.00 C ATOM 471 C ASP A 30 -19.231 -5.680 17.862 1.00 0.00 C ATOM 472 O ASP A 30 -19.549 -4.854 18.714 1.00 0.00 O ATOM 473 CB ASP A 30 -21.089 -6.717 16.557 1.00 0.00 C ATOM 474 CG ASP A 30 -22.002 -6.517 15.353 1.00 0.00 C ATOM 475 OD1 ASP A 30 -21.821 -5.534 14.654 1.00 0.00 O ATOM 476 OD2 ASP A 30 -22.866 -7.351 15.147 1.00 0.00 O ATOM 0 H ASP A 30 -19.231 -6.942 14.961 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.331 -4.719 16.291 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -20.697 -7.734 16.562 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.655 -6.589 17.480 1.00 0.00 H new ATOM 481 N GLN A 31 -18.283 -6.593 18.057 1.00 0.00 N ATOM 482 CA GLN A 31 -17.554 -6.671 19.320 1.00 0.00 C ATOM 483 C GLN A 31 -16.741 -5.402 19.562 1.00 0.00 C ATOM 484 O GLN A 31 -16.551 -4.984 20.705 1.00 0.00 O ATOM 485 CB GLN A 31 -16.611 -7.879 19.303 1.00 0.00 C ATOM 486 CG GLN A 31 -16.144 -8.190 20.723 1.00 0.00 C ATOM 487 CD GLN A 31 -17.304 -8.752 21.535 1.00 0.00 C ATOM 488 OE1 GLN A 31 -17.737 -8.097 22.575 1.00 0.00 O flip ATOM 489 NE2 GLN A 31 -17.842 -9.808 21.201 1.00 0.00 N flip ATOM 0 H GLN A 31 -18.003 -7.285 17.362 1.00 0.00 H new ATOM 0 HA GLN A 31 -18.281 -6.779 20.124 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -17.121 -8.744 18.880 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.752 -7.672 18.665 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -15.324 -8.908 20.697 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.761 -7.286 21.196 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -17.501 -10.319 20.387 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -18.629 -10.172 21.739 1.00 0.00 H new ATOM 498 N LEU A 32 -16.263 -4.791 18.482 1.00 0.00 N ATOM 499 CA LEU A 32 -15.474 -3.570 18.596 1.00 0.00 C ATOM 500 C LEU A 32 -16.320 -2.463 19.223 1.00 0.00 C ATOM 501 O LEU A 32 -15.837 -1.670 20.026 1.00 0.00 O ATOM 502 CB LEU A 32 -14.968 -3.133 17.212 1.00 0.00 C ATOM 503 CG LEU A 32 -13.711 -3.933 16.828 1.00 0.00 C ATOM 504 CD1 LEU A 32 -12.510 -3.533 17.714 1.00 0.00 C ATOM 505 CD2 LEU A 32 -14.003 -5.432 16.983 1.00 0.00 C ATOM 0 H LEU A 32 -16.407 -5.118 17.527 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.613 -3.763 19.235 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.748 -3.287 16.466 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.741 -2.067 17.220 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.453 -3.711 15.792 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.634 -4.113 17.423 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.301 -2.471 17.586 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.746 -3.733 18.759 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.116 -6.005 16.712 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.271 -5.645 18.018 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.829 -5.711 16.329 1.00 0.00 H new ATOM 517 N ASP A 33 -17.585 -2.408 18.853 1.00 0.00 N ATOM 518 CA ASP A 33 -18.462 -1.401 19.412 1.00 0.00 C ATOM 519 C ASP A 33 -18.599 -1.604 20.922 1.00 0.00 C ATOM 520 O ASP A 33 -18.552 -0.647 21.694 1.00 0.00 O ATOM 521 CB ASP A 33 -19.831 -1.480 18.746 1.00 0.00 C ATOM 522 CG ASP A 33 -20.758 -0.422 19.331 1.00 0.00 C ATOM 523 OD1 ASP A 33 -20.353 0.236 20.276 1.00 0.00 O ATOM 524 OD2 ASP A 33 -21.860 -0.286 18.828 1.00 0.00 O ATOM 0 H ASP A 33 -18.022 -3.037 18.180 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.034 -0.415 19.228 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.730 -1.332 17.671 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -20.259 -2.472 18.893 1.00 0.00 H new ATOM 529 N LEU A 34 -18.778 -2.861 21.331 1.00 0.00 N ATOM 530 CA LEU A 34 -18.923 -3.187 22.748 1.00 0.00 C ATOM 531 C LEU A 34 -17.616 -2.988 23.514 1.00 0.00 C ATOM 532 O LEU A 34 -17.600 -2.358 24.569 1.00 0.00 O ATOM 533 CB LEU A 34 -19.394 -4.647 22.902 1.00 0.00 C ATOM 534 CG LEU A 34 -20.921 -4.717 22.814 1.00 0.00 C ATOM 535 CD1 LEU A 34 -21.378 -4.189 21.456 1.00 0.00 C ATOM 536 CD2 LEU A 34 -21.370 -6.168 22.979 1.00 0.00 C ATOM 0 H LEU A 34 -18.826 -3.665 20.705 1.00 0.00 H new ATOM 0 HA LEU A 34 -19.665 -2.509 23.169 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -18.948 -5.266 22.123 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.058 -5.047 23.859 1.00 0.00 H new ATOM 0 HG LEU A 34 -21.362 -4.108 23.603 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -22.465 -4.239 21.393 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -21.055 -3.154 21.340 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.941 -4.796 20.664 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -22.457 -6.222 22.917 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -20.931 -6.777 22.189 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.043 -6.542 23.949 1.00 0.00 H new ATOM 548 N VAL A 35 -16.530 -3.540 22.981 1.00 0.00 N ATOM 549 CA VAL A 35 -15.232 -3.435 23.641 1.00 0.00 C ATOM 550 C VAL A 35 -14.837 -1.970 23.802 1.00 0.00 C ATOM 551 O VAL A 35 -14.068 -1.616 24.695 1.00 0.00 O ATOM 552 CB VAL A 35 -14.158 -4.205 22.834 1.00 0.00 C ATOM 553 CG1 VAL A 35 -13.554 -3.315 21.743 1.00 0.00 C ATOM 554 CG2 VAL A 35 -13.038 -4.674 23.772 1.00 0.00 C ATOM 0 H VAL A 35 -16.521 -4.059 22.103 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.304 -3.882 24.633 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.637 -5.065 22.366 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.802 -3.878 21.189 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.340 -2.991 21.061 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.089 -2.442 22.201 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.286 -5.215 23.198 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.578 -3.809 24.250 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.454 -5.331 24.535 1.00 0.00 H new ATOM 564 N HIS A 36 -15.359 -1.131 22.916 1.00 0.00 N ATOM 565 CA HIS A 36 -15.048 0.292 22.949 1.00 0.00 C ATOM 566 C HIS A 36 -15.887 1.010 24.000 1.00 0.00 C ATOM 567 O HIS A 36 -15.371 1.819 24.770 1.00 0.00 O ATOM 568 CB HIS A 36 -15.309 0.908 21.574 1.00 0.00 C ATOM 569 CG HIS A 36 -14.863 2.342 21.576 1.00 0.00 C ATOM 570 ND1 HIS A 36 -15.656 3.361 22.080 1.00 0.00 N ATOM 571 CD2 HIS A 36 -13.708 2.945 21.144 1.00 0.00 C ATOM 572 CE1 HIS A 36 -14.973 4.511 21.941 1.00 0.00 C ATOM 573 NE2 HIS A 36 -13.779 4.315 21.376 1.00 0.00 N ATOM 0 H HIS A 36 -15.996 -1.409 22.170 1.00 0.00 H new ATOM 0 HA HIS A 36 -13.996 0.408 23.211 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.773 0.350 20.806 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -16.370 0.846 21.331 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -12.871 2.433 20.692 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.345 5.477 22.249 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.072 5.018 21.161 1.00 0.00 H new ATOM 581 N GLN A 37 -17.182 0.710 24.025 1.00 0.00 N ATOM 582 CA GLN A 37 -18.086 1.335 24.986 1.00 0.00 C ATOM 583 C GLN A 37 -18.077 0.573 26.308 1.00 0.00 C ATOM 584 O GLN A 37 -18.554 1.073 27.327 1.00 0.00 O ATOM 585 CB GLN A 37 -19.506 1.359 24.420 1.00 0.00 C ATOM 586 CG GLN A 37 -19.553 2.287 23.204 1.00 0.00 C ATOM 587 CD GLN A 37 -20.948 2.271 22.589 1.00 0.00 C ATOM 588 OE1 GLN A 37 -21.425 1.224 22.155 1.00 0.00 O ATOM 589 NE2 GLN A 37 -21.633 3.380 22.526 1.00 0.00 N ATOM 0 H GLN A 37 -17.627 0.042 23.395 1.00 0.00 H new ATOM 0 HA GLN A 37 -17.746 2.355 25.167 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -19.813 0.353 24.135 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -20.207 1.703 25.181 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -19.289 3.302 23.501 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -18.817 1.969 22.465 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -21.234 4.247 22.887 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -22.567 3.380 22.116 1.00 0.00 H new ATOM 598 N ALA A 38 -17.536 -0.641 26.283 1.00 0.00 N ATOM 599 CA ALA A 38 -17.473 -1.466 27.487 1.00 0.00 C ATOM 600 C ALA A 38 -16.381 -0.970 28.422 1.00 0.00 C ATOM 601 O ALA A 38 -15.481 -0.236 28.011 1.00 0.00 O ATOM 602 CB ALA A 38 -17.190 -2.920 27.118 1.00 0.00 C ATOM 0 H ALA A 38 -17.137 -1.074 25.450 1.00 0.00 H new ATOM 0 HA ALA A 38 -18.436 -1.397 27.992 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.146 -3.523 28.025 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.985 -3.293 26.472 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.237 -2.983 26.593 1.00 0.00 H new ATOM 608 N LYS A 39 -16.457 -1.381 29.683 1.00 0.00 N ATOM 609 CA LYS A 39 -15.459 -0.975 30.664 1.00 0.00 C ATOM 610 C LYS A 39 -15.492 -1.907 31.879 1.00 0.00 C ATOM 611 O LYS A 39 -16.559 -2.313 32.338 1.00 0.00 O ATOM 612 CB LYS A 39 -15.720 0.491 31.095 1.00 0.00 C ATOM 613 CG LYS A 39 -14.441 1.338 30.972 1.00 0.00 C ATOM 614 CD LYS A 39 -13.421 0.880 32.016 1.00 0.00 C ATOM 615 CE LYS A 39 -12.171 1.752 31.920 1.00 0.00 C ATOM 616 NZ LYS A 39 -12.510 3.140 32.337 1.00 0.00 N ATOM 0 H LYS A 39 -17.191 -1.989 30.047 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.469 -1.041 30.213 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -16.507 0.921 30.475 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -16.077 0.513 32.124 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.022 1.239 29.971 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.676 2.393 31.116 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.851 0.950 33.015 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.162 -0.166 31.853 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.383 1.350 32.557 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.788 1.749 30.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.642 3.640 32.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -12.958 3.641 31.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.167 3.110 33.143 1.00 0.00 H new ATOM 630 N GLY A 40 -14.312 -2.234 32.396 1.00 0.00 N ATOM 631 CA GLY A 40 -14.211 -3.110 33.555 1.00 0.00 C ATOM 632 C GLY A 40 -14.567 -4.545 33.191 1.00 0.00 C ATOM 633 O GLY A 40 -13.978 -5.130 32.282 1.00 0.00 O ATOM 0 H GLY A 40 -13.417 -1.907 32.032 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.198 -3.074 33.955 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.877 -2.755 34.342 1.00 0.00 H new ATOM 637 N ARG A 41 -15.532 -5.105 33.908 1.00 0.00 N ATOM 638 CA ARG A 41 -15.959 -6.476 33.657 1.00 0.00 C ATOM 639 C ARG A 41 -16.483 -6.634 32.234 1.00 0.00 C ATOM 640 O ARG A 41 -16.270 -7.665 31.595 1.00 0.00 O ATOM 641 CB ARG A 41 -17.053 -6.870 34.652 1.00 0.00 C ATOM 642 CG ARG A 41 -18.196 -5.849 34.593 1.00 0.00 C ATOM 643 CD ARG A 41 -19.323 -6.292 35.518 1.00 0.00 C ATOM 644 NE ARG A 41 -20.381 -5.290 35.538 1.00 0.00 N ATOM 645 CZ ARG A 41 -21.536 -5.522 36.151 1.00 0.00 C ATOM 646 NH1 ARG A 41 -21.741 -6.665 36.746 1.00 0.00 N ATOM 647 NH2 ARG A 41 -22.466 -4.606 36.157 1.00 0.00 N ATOM 0 H ARG A 41 -16.031 -4.635 34.663 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.096 -7.129 33.782 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.429 -7.866 34.418 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -16.642 -6.913 35.661 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -17.834 -4.865 34.890 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -18.564 -5.759 33.571 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -19.724 -7.248 35.182 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.937 -6.444 36.526 1.00 0.00 H new ATOM 0 HE ARG A 41 -20.232 -4.395 35.073 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -21.014 -7.380 36.740 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -22.628 -6.843 37.217 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -22.305 -3.713 35.691 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -23.353 -4.783 36.628 1.00 0.00 H new ATOM 661 N ASP A 42 -17.176 -5.615 31.749 1.00 0.00 N ATOM 662 CA ASP A 42 -17.736 -5.653 30.409 1.00 0.00 C ATOM 663 C ASP A 42 -16.623 -5.716 29.367 1.00 0.00 C ATOM 664 O ASP A 42 -16.763 -6.371 28.334 1.00 0.00 O ATOM 665 CB ASP A 42 -18.600 -4.413 30.180 1.00 0.00 C ATOM 666 CG ASP A 42 -19.912 -4.531 30.949 1.00 0.00 C ATOM 667 OD1 ASP A 42 -20.170 -5.596 31.485 1.00 0.00 O ATOM 668 OD2 ASP A 42 -20.639 -3.552 30.992 1.00 0.00 O ATOM 0 H ASP A 42 -17.363 -4.754 32.263 1.00 0.00 H new ATOM 0 HA ASP A 42 -18.353 -6.546 30.308 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -18.061 -3.522 30.502 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -18.804 -4.295 29.116 1.00 0.00 H new ATOM 673 N GLN A 43 -15.518 -5.032 29.645 1.00 0.00 N ATOM 674 CA GLN A 43 -14.389 -5.021 28.720 1.00 0.00 C ATOM 675 C GLN A 43 -13.755 -6.407 28.628 1.00 0.00 C ATOM 676 O GLN A 43 -13.362 -6.851 27.549 1.00 0.00 O ATOM 677 CB GLN A 43 -13.340 -4.003 29.189 1.00 0.00 C ATOM 678 CG GLN A 43 -12.494 -3.542 27.998 1.00 0.00 C ATOM 679 CD GLN A 43 -11.773 -4.735 27.384 1.00 0.00 C ATOM 680 OE1 GLN A 43 -11.784 -4.911 26.167 1.00 0.00 O ATOM 681 NE2 GLN A 43 -11.141 -5.572 28.160 1.00 0.00 N ATOM 0 H GLN A 43 -15.380 -4.483 30.494 1.00 0.00 H new ATOM 0 HA GLN A 43 -14.754 -4.738 27.733 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.832 -3.147 29.650 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.700 -4.451 29.949 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.130 -3.066 27.251 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.769 -2.795 28.322 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.133 -5.425 29.169 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -10.655 -6.373 27.757 1.00 0.00 H new ATOM 690 N ILE A 44 -13.656 -7.079 29.768 1.00 0.00 N ATOM 691 CA ILE A 44 -13.064 -8.411 29.814 1.00 0.00 C ATOM 692 C ILE A 44 -13.908 -9.399 29.013 1.00 0.00 C ATOM 693 O ILE A 44 -13.376 -10.231 28.281 1.00 0.00 O ATOM 694 CB ILE A 44 -12.949 -8.888 31.266 1.00 0.00 C ATOM 695 CG1 ILE A 44 -11.922 -8.026 32.004 1.00 0.00 C ATOM 696 CG2 ILE A 44 -12.491 -10.350 31.293 1.00 0.00 C ATOM 697 CD1 ILE A 44 -12.001 -8.311 33.505 1.00 0.00 C ATOM 0 H ILE A 44 -13.976 -6.726 30.670 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.068 -8.360 29.373 1.00 0.00 H new ATOM 0 HB ILE A 44 -13.921 -8.801 31.752 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.919 -8.240 31.635 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -12.113 -6.970 31.813 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -12.410 -10.687 32.326 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -13.217 -10.969 30.766 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -11.520 -10.436 30.806 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.270 -7.697 34.031 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.001 -8.075 33.868 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.788 -9.364 33.687 1.00 0.00 H new ATOM 709 N ALA A 45 -15.222 -9.307 29.167 1.00 0.00 N ATOM 710 CA ALA A 45 -16.125 -10.209 28.463 1.00 0.00 C ATOM 711 C ALA A 45 -15.831 -10.208 26.965 1.00 0.00 C ATOM 712 O ALA A 45 -15.675 -11.264 26.355 1.00 0.00 O ATOM 713 CB ALA A 45 -17.573 -9.777 28.699 1.00 0.00 C ATOM 0 H ALA A 45 -15.684 -8.624 29.767 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.974 -11.218 28.848 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.245 -10.454 28.171 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -17.792 -9.807 29.766 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.715 -8.762 28.328 1.00 0.00 H new ATOM 719 N ALA A 46 -15.743 -9.018 26.382 1.00 0.00 N ATOM 720 CA ALA A 46 -15.452 -8.892 24.962 1.00 0.00 C ATOM 721 C ALA A 46 -14.067 -9.446 24.661 1.00 0.00 C ATOM 722 O ALA A 46 -13.860 -10.115 23.650 1.00 0.00 O ATOM 723 CB ALA A 46 -15.532 -7.420 24.553 1.00 0.00 C ATOM 0 H ALA A 46 -15.869 -8.131 26.870 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.186 -9.462 24.392 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.314 -7.326 23.489 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -16.534 -7.041 24.753 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.805 -6.843 25.125 1.00 0.00 H new ATOM 729 N SER A 47 -13.120 -9.157 25.545 1.00 0.00 N ATOM 730 CA SER A 47 -11.757 -9.631 25.356 1.00 0.00 C ATOM 731 C SER A 47 -11.702 -11.155 25.365 1.00 0.00 C ATOM 732 O SER A 47 -11.065 -11.768 24.509 1.00 0.00 O ATOM 733 CB SER A 47 -10.852 -9.083 26.457 1.00 0.00 C ATOM 734 OG SER A 47 -10.839 -7.664 26.394 1.00 0.00 O ATOM 0 H SER A 47 -13.268 -8.604 26.389 1.00 0.00 H new ATOM 0 HA SER A 47 -11.409 -9.275 24.386 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.209 -9.411 27.433 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.841 -9.473 26.339 1.00 0.00 H new ATOM 0 HG SER A 47 -11.758 -7.326 26.439 1.00 0.00 H new ATOM 740 N PHE A 48 -12.374 -11.758 26.340 1.00 0.00 N ATOM 741 CA PHE A 48 -12.394 -13.212 26.456 1.00 0.00 C ATOM 742 C PHE A 48 -13.055 -13.840 25.236 1.00 0.00 C ATOM 743 O PHE A 48 -12.531 -14.790 24.653 1.00 0.00 O ATOM 744 CB PHE A 48 -13.157 -13.623 27.716 1.00 0.00 C ATOM 745 CG PHE A 48 -13.203 -15.131 27.807 1.00 0.00 C ATOM 746 CD1 PHE A 48 -12.060 -15.843 28.189 1.00 0.00 C ATOM 747 CD2 PHE A 48 -14.388 -15.817 27.510 1.00 0.00 C ATOM 748 CE1 PHE A 48 -12.100 -17.239 28.274 1.00 0.00 C ATOM 749 CE2 PHE A 48 -14.428 -17.215 27.595 1.00 0.00 C ATOM 750 CZ PHE A 48 -13.284 -17.925 27.977 1.00 0.00 C ATOM 0 H PHE A 48 -12.908 -11.267 27.057 1.00 0.00 H new ATOM 0 HA PHE A 48 -11.365 -13.565 26.519 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -12.671 -13.209 28.600 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.169 -13.218 27.690 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -11.147 -15.314 28.418 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.270 -15.268 27.216 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -11.218 -17.788 28.569 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -15.341 -17.744 27.366 1.00 0.00 H new ATOM 0 HZ PHE A 48 -13.314 -19.003 28.043 1.00 0.00 H new ATOM 760 N GLU A 49 -14.207 -13.302 24.854 1.00 0.00 N ATOM 761 CA GLU A 49 -14.929 -13.820 23.701 1.00 0.00 C ATOM 762 C GLU A 49 -14.158 -13.551 22.423 1.00 0.00 C ATOM 763 O GLU A 49 -14.017 -14.431 21.580 1.00 0.00 O ATOM 764 CB GLU A 49 -16.310 -13.165 23.605 1.00 0.00 C ATOM 765 CG GLU A 49 -17.033 -13.644 22.336 1.00 0.00 C ATOM 766 CD GLU A 49 -18.471 -13.135 22.334 1.00 0.00 C ATOM 767 OE1 GLU A 49 -18.778 -12.285 23.154 1.00 0.00 O ATOM 768 OE2 GLU A 49 -19.244 -13.602 21.514 1.00 0.00 O ATOM 0 H GLU A 49 -14.657 -12.515 25.321 1.00 0.00 H new ATOM 0 HA GLU A 49 -15.044 -14.896 23.828 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.901 -13.414 24.486 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -16.206 -12.080 23.587 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.509 -13.284 21.451 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.023 -14.733 22.291 1.00 0.00 H new ATOM 775 N LEU A 50 -13.668 -12.329 22.282 1.00 0.00 N ATOM 776 CA LEU A 50 -12.932 -11.956 21.085 1.00 0.00 C ATOM 777 C LEU A 50 -11.704 -12.841 20.918 1.00 0.00 C ATOM 778 O LEU A 50 -11.374 -13.251 19.805 1.00 0.00 O ATOM 779 CB LEU A 50 -12.493 -10.490 21.168 1.00 0.00 C ATOM 780 CG LEU A 50 -11.833 -10.053 19.850 1.00 0.00 C ATOM 781 CD1 LEU A 50 -12.854 -10.089 18.696 1.00 0.00 C ATOM 782 CD2 LEU A 50 -11.279 -8.631 20.012 1.00 0.00 C ATOM 0 H LEU A 50 -13.765 -11.586 22.974 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.589 -12.089 20.225 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.355 -9.857 21.378 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.793 -10.359 21.993 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.021 -10.741 19.612 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.369 -9.777 17.771 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.237 -11.103 18.580 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.679 -9.413 18.919 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.809 -8.315 19.080 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.093 -7.949 20.257 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.540 -8.617 20.813 1.00 0.00 H new ATOM 794 N ASN A 51 -11.021 -13.120 22.020 1.00 0.00 N ATOM 795 CA ASN A 51 -9.823 -13.942 21.958 1.00 0.00 C ATOM 796 C ASN A 51 -10.129 -15.277 21.290 1.00 0.00 C ATOM 797 O ASN A 51 -9.473 -15.661 20.322 1.00 0.00 O ATOM 798 CB ASN A 51 -9.297 -14.189 23.376 1.00 0.00 C ATOM 799 CG ASN A 51 -8.061 -15.083 23.340 1.00 0.00 C ATOM 800 OD1 ASN A 51 -7.759 -15.687 22.311 1.00 0.00 O ATOM 801 ND2 ASN A 51 -7.329 -15.208 24.414 1.00 0.00 N ATOM 0 H ASN A 51 -11.272 -12.795 22.954 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.068 -13.419 21.371 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.052 -13.238 23.850 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.073 -14.656 23.982 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.504 -15.808 24.402 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.582 -14.706 25.265 1.00 0.00 H new ATOM 808 N LYS A 52 -11.134 -15.974 21.803 1.00 0.00 N ATOM 809 CA LYS A 52 -11.518 -17.259 21.234 1.00 0.00 C ATOM 810 C LYS A 52 -12.113 -17.063 19.844 1.00 0.00 C ATOM 811 O LYS A 52 -11.917 -17.883 18.948 1.00 0.00 O ATOM 812 CB LYS A 52 -12.536 -17.964 22.165 1.00 0.00 C ATOM 813 CG LYS A 52 -12.027 -19.364 22.558 1.00 0.00 C ATOM 814 CD LYS A 52 -10.913 -19.232 23.610 1.00 0.00 C ATOM 815 CE LYS A 52 -11.520 -19.070 25.010 1.00 0.00 C ATOM 816 NZ LYS A 52 -10.436 -19.168 26.029 1.00 0.00 N ATOM 0 H LYS A 52 -11.693 -15.676 22.603 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.632 -17.887 21.144 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.695 -17.364 23.061 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.500 -18.049 21.663 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -12.847 -19.962 22.955 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.650 -19.885 21.678 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.272 -20.113 23.584 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.284 -18.373 23.377 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.026 -18.108 25.091 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.271 -19.840 25.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.708 -18.633 26.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.286 -20.166 26.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.556 -18.774 25.639 1.00 0.00 H new ATOM 830 N LYS A 53 -12.859 -15.981 19.685 1.00 0.00 N ATOM 831 CA LYS A 53 -13.498 -15.703 18.407 1.00 0.00 C ATOM 832 C LYS A 53 -12.451 -15.559 17.314 1.00 0.00 C ATOM 833 O LYS A 53 -12.592 -16.130 16.233 1.00 0.00 O ATOM 834 CB LYS A 53 -14.337 -14.426 18.515 1.00 0.00 C ATOM 835 CG LYS A 53 -15.370 -14.364 17.388 1.00 0.00 C ATOM 836 CD LYS A 53 -16.371 -13.243 17.690 1.00 0.00 C ATOM 837 CE LYS A 53 -15.681 -11.883 17.646 1.00 0.00 C ATOM 838 NZ LYS A 53 -16.714 -10.818 17.514 1.00 0.00 N ATOM 0 H LYS A 53 -13.036 -15.289 20.413 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.152 -16.535 18.148 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.842 -14.397 19.481 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.687 -13.552 18.468 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.876 -14.181 16.434 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.889 -15.319 17.300 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -17.184 -13.268 16.964 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.816 -13.400 18.673 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.095 -11.729 18.552 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.987 -11.840 16.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.248 -9.895 17.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.309 -11.012 16.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -17.307 -10.802 18.368 1.00 0.00 H new ATOM 852 N ILE A 54 -11.395 -14.810 17.601 1.00 0.00 N ATOM 853 CA ILE A 54 -10.329 -14.625 16.626 1.00 0.00 C ATOM 854 C ILE A 54 -9.590 -15.938 16.391 1.00 0.00 C ATOM 855 O ILE A 54 -9.301 -16.304 15.251 1.00 0.00 O ATOM 856 CB ILE A 54 -9.346 -13.558 17.122 1.00 0.00 C ATOM 857 CG1 ILE A 54 -10.034 -12.188 17.103 1.00 0.00 C ATOM 858 CG2 ILE A 54 -8.101 -13.533 16.223 1.00 0.00 C ATOM 859 CD1 ILE A 54 -9.152 -11.159 17.811 1.00 0.00 C ATOM 0 H ILE A 54 -11.254 -14.327 18.488 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.771 -14.297 15.685 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.037 -13.794 18.140 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.218 -11.877 16.075 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.004 -12.251 17.596 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.408 -12.772 16.582 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.614 -14.508 16.248 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.396 -13.301 15.200 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.644 -10.186 17.796 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.990 -11.468 18.844 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.192 -11.088 17.299 1.00 0.00 H new ATOM 871 N ASN A 55 -9.283 -16.638 17.476 1.00 0.00 N ATOM 872 CA ASN A 55 -8.571 -17.906 17.377 1.00 0.00 C ATOM 873 C ASN A 55 -9.394 -18.923 16.595 1.00 0.00 C ATOM 874 O ASN A 55 -8.860 -19.676 15.779 1.00 0.00 O ATOM 875 CB ASN A 55 -8.270 -18.452 18.773 1.00 0.00 C ATOM 876 CG ASN A 55 -7.528 -19.780 18.664 1.00 0.00 C ATOM 877 OD1 ASN A 55 -6.797 -20.006 17.700 1.00 0.00 O ATOM 878 ND2 ASN A 55 -7.676 -20.677 19.601 1.00 0.00 N ATOM 0 H ASN A 55 -9.514 -16.352 18.428 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.633 -17.732 16.849 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -7.669 -17.735 19.331 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.199 -18.589 19.327 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.185 -21.569 19.536 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.283 -20.486 20.398 1.00 0.00 H new ATOM 885 N ASP A 56 -10.696 -18.939 16.855 1.00 0.00 N ATOM 886 CA ASP A 56 -11.590 -19.867 16.176 1.00 0.00 C ATOM 887 C ASP A 56 -11.603 -19.597 14.675 1.00 0.00 C ATOM 888 O ASP A 56 -11.603 -20.525 13.870 1.00 0.00 O ATOM 889 CB ASP A 56 -13.008 -19.726 16.733 1.00 0.00 C ATOM 890 CG ASP A 56 -13.083 -20.312 18.140 1.00 0.00 C ATOM 891 OD1 ASP A 56 -12.181 -21.049 18.502 1.00 0.00 O ATOM 892 OD2 ASP A 56 -14.042 -20.016 18.833 1.00 0.00 O ATOM 0 H ASP A 56 -11.154 -18.323 17.527 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.230 -20.881 16.348 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.296 -18.675 16.753 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.715 -20.237 16.080 1.00 0.00 H new ATOM 897 N TYR A 57 -11.619 -18.320 14.307 1.00 0.00 N ATOM 898 CA TYR A 57 -11.642 -17.943 12.898 1.00 0.00 C ATOM 899 C TYR A 57 -10.417 -18.500 12.177 1.00 0.00 C ATOM 900 O TYR A 57 -10.530 -19.075 11.094 1.00 0.00 O ATOM 901 CB TYR A 57 -11.663 -16.421 12.768 1.00 0.00 C ATOM 902 CG TYR A 57 -11.812 -16.042 11.315 1.00 0.00 C ATOM 903 CD1 TYR A 57 -13.088 -15.917 10.756 1.00 0.00 C ATOM 904 CD2 TYR A 57 -10.676 -15.815 10.527 1.00 0.00 C ATOM 905 CE1 TYR A 57 -13.231 -15.565 9.410 1.00 0.00 C ATOM 906 CE2 TYR A 57 -10.821 -15.464 9.180 1.00 0.00 C ATOM 907 CZ TYR A 57 -12.098 -15.339 8.620 1.00 0.00 C ATOM 908 OH TYR A 57 -12.240 -14.993 7.293 1.00 0.00 O ATOM 0 H TYR A 57 -11.617 -17.535 14.958 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.540 -18.359 12.442 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.487 -16.007 13.349 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.744 -15.998 13.173 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -13.963 -16.092 11.364 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.690 -15.911 10.958 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -14.217 -15.467 8.980 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -9.946 -15.289 8.571 1.00 0.00 H new ATOM 0 HH TYR A 57 -11.355 -14.871 6.890 1.00 0.00 H new ATOM 918 N ILE A 58 -9.249 -18.332 12.789 1.00 0.00 N ATOM 919 CA ILE A 58 -8.007 -18.827 12.203 1.00 0.00 C ATOM 920 C ILE A 58 -8.048 -20.348 12.085 1.00 0.00 C ATOM 921 O ILE A 58 -7.635 -20.913 11.071 1.00 0.00 O ATOM 922 CB ILE A 58 -6.815 -18.402 13.070 1.00 0.00 C ATOM 923 CG1 ILE A 58 -6.632 -16.882 12.982 1.00 0.00 C ATOM 924 CG2 ILE A 58 -5.540 -19.096 12.572 1.00 0.00 C ATOM 925 CD1 ILE A 58 -5.731 -16.410 14.124 1.00 0.00 C ATOM 0 H ILE A 58 -9.136 -17.860 13.686 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.894 -18.401 11.206 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.004 -18.688 14.105 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.191 -16.613 12.022 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.600 -16.385 13.039 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.695 -18.792 13.190 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.666 -20.177 12.635 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.352 -18.813 11.536 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.601 -15.330 14.062 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.190 -16.666 15.079 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.759 -16.898 14.046 1.00 0.00 H new ATOM 937 N ALA A 59 -8.541 -21.004 13.130 1.00 0.00 N ATOM 938 CA ALA A 59 -8.623 -22.460 13.136 1.00 0.00 C ATOM 939 C ALA A 59 -9.476 -22.952 11.970 1.00 0.00 C ATOM 940 O ALA A 59 -9.207 -24.007 11.398 1.00 0.00 O ATOM 941 CB ALA A 59 -9.229 -22.944 14.453 1.00 0.00 C ATOM 0 H ALA A 59 -8.887 -20.555 13.978 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.616 -22.863 13.031 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.286 -24.032 14.449 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.603 -22.617 15.283 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.230 -22.528 14.567 1.00 0.00 H new ATOM 947 N GLU A 60 -10.500 -22.180 11.624 1.00 0.00 N ATOM 948 CA GLU A 60 -11.379 -22.546 10.519 1.00 0.00 C ATOM 949 C GLU A 60 -10.664 -22.382 9.179 1.00 0.00 C ATOM 950 O GLU A 60 -10.829 -23.200 8.274 1.00 0.00 O ATOM 951 CB GLU A 60 -12.635 -21.674 10.537 1.00 0.00 C ATOM 952 CG GLU A 60 -13.507 -22.060 11.734 1.00 0.00 C ATOM 953 CD GLU A 60 -14.698 -21.115 11.836 1.00 0.00 C ATOM 954 OE1 GLU A 60 -14.821 -20.254 10.980 1.00 0.00 O ATOM 955 OE2 GLU A 60 -15.471 -21.265 12.768 1.00 0.00 O ATOM 0 H GLU A 60 -10.741 -21.304 12.088 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.660 -23.592 10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.359 -20.621 10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.194 -21.803 9.610 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.855 -23.087 11.625 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.919 -22.018 12.651 1.00 0.00 H new ATOM 962 N HIS A 61 -9.872 -21.315 9.059 1.00 0.00 N ATOM 963 CA HIS A 61 -9.133 -21.041 7.822 1.00 0.00 C ATOM 964 C HIS A 61 -7.687 -20.651 8.135 1.00 0.00 C ATOM 965 O HIS A 61 -7.285 -19.507 7.928 1.00 0.00 O ATOM 966 CB HIS A 61 -9.816 -19.906 7.056 1.00 0.00 C ATOM 967 CG HIS A 61 -11.237 -20.297 6.755 1.00 0.00 C ATOM 968 ND1 HIS A 61 -11.554 -21.462 6.074 1.00 0.00 N ATOM 969 CD2 HIS A 61 -12.436 -19.690 7.035 1.00 0.00 C ATOM 970 CE1 HIS A 61 -12.895 -21.519 5.968 1.00 0.00 C ATOM 971 NE2 HIS A 61 -13.481 -20.462 6.538 1.00 0.00 N ATOM 0 H HIS A 61 -9.725 -20.628 9.799 1.00 0.00 H new ATOM 0 HA HIS A 61 -9.127 -21.944 7.212 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.796 -18.990 7.646 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -9.279 -19.701 6.130 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -12.551 -18.754 7.562 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -13.431 -22.321 5.482 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -14.480 -20.264 6.596 1.00 0.00 H new ATOM 979 N PRO A 62 -6.910 -21.579 8.635 1.00 0.00 N ATOM 980 CA PRO A 62 -5.482 -21.334 8.991 1.00 0.00 C ATOM 981 C PRO A 62 -4.584 -21.284 7.757 1.00 0.00 C ATOM 982 O PRO A 62 -3.427 -20.869 7.834 1.00 0.00 O ATOM 983 CB PRO A 62 -5.131 -22.518 9.904 1.00 0.00 C ATOM 984 CG PRO A 62 -6.045 -23.629 9.480 1.00 0.00 C ATOM 985 CD PRO A 62 -7.311 -22.973 8.905 1.00 0.00 C ATOM 0 HA PRO A 62 -5.332 -20.369 9.475 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.085 -22.805 9.792 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.281 -22.264 10.953 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.564 -24.260 8.733 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.293 -24.269 10.327 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.641 -23.475 7.996 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.139 -23.019 9.613 1.00 0.00 H new ATOM 993 N THR A 63 -5.124 -21.719 6.620 1.00 0.00 N ATOM 994 CA THR A 63 -4.368 -21.732 5.370 1.00 0.00 C ATOM 995 C THR A 63 -4.564 -20.421 4.613 1.00 0.00 C ATOM 996 O THR A 63 -3.883 -20.156 3.624 1.00 0.00 O ATOM 997 CB THR A 63 -4.824 -22.908 4.492 1.00 0.00 C ATOM 998 OG1 THR A 63 -4.670 -22.562 3.121 1.00 0.00 O ATOM 999 CG2 THR A 63 -6.295 -23.224 4.773 1.00 0.00 C ATOM 0 H THR A 63 -6.080 -22.066 6.539 1.00 0.00 H new ATOM 0 HA THR A 63 -3.310 -21.847 5.607 1.00 0.00 H new ATOM 0 HB THR A 63 -4.217 -23.784 4.720 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.959 -23.312 2.560 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.614 -24.058 4.148 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.416 -23.490 5.823 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.905 -22.349 4.548 1.00 0.00 H new ATOM 1007 N SER A 64 -5.500 -19.605 5.085 1.00 0.00 N ATOM 1008 CA SER A 64 -5.774 -18.325 4.441 1.00 0.00 C ATOM 1009 C SER A 64 -4.496 -17.498 4.331 1.00 0.00 C ATOM 1010 O SER A 64 -3.641 -17.772 3.489 1.00 0.00 O ATOM 1011 CB SER A 64 -6.818 -17.553 5.246 1.00 0.00 C ATOM 1012 OG SER A 64 -6.367 -17.419 6.587 1.00 0.00 O ATOM 0 H SER A 64 -6.077 -19.804 5.903 1.00 0.00 H new ATOM 0 HA SER A 64 -6.156 -18.515 3.438 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.981 -16.570 4.804 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.774 -18.076 5.221 1.00 0.00 H new ATOM 0 HG SER A 64 -7.058 -17.749 7.199 1.00 0.00 H new ATOM 1018 N GLY A 65 -4.372 -16.488 5.188 1.00 0.00 N ATOM 1019 CA GLY A 65 -3.192 -15.626 5.182 1.00 0.00 C ATOM 1020 C GLY A 65 -3.534 -14.232 5.693 1.00 0.00 C ATOM 1021 O GLY A 65 -2.804 -13.661 6.502 1.00 0.00 O ATOM 0 H GLY A 65 -5.069 -16.247 5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.413 -16.065 5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.791 -15.559 4.171 1.00 0.00 H new ATOM 1025 N ARG A 66 -4.648 -13.690 5.214 1.00 0.00 N ATOM 1026 CA ARG A 66 -5.072 -12.359 5.627 1.00 0.00 C ATOM 1027 C ARG A 66 -5.485 -12.359 7.097 1.00 0.00 C ATOM 1028 O ARG A 66 -5.584 -11.304 7.724 1.00 0.00 O ATOM 1029 CB ARG A 66 -6.249 -11.885 4.761 1.00 0.00 C ATOM 1030 CG ARG A 66 -6.368 -10.350 4.824 1.00 0.00 C ATOM 1031 CD ARG A 66 -5.480 -9.710 3.749 1.00 0.00 C ATOM 1032 NE ARG A 66 -5.494 -8.258 3.883 1.00 0.00 N ATOM 1033 CZ ARG A 66 -6.412 -7.512 3.277 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -7.335 -8.074 2.546 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -6.391 -6.215 3.418 1.00 0.00 N ATOM 0 H ARG A 66 -5.268 -14.147 4.546 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.232 -11.677 5.497 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.103 -12.204 3.729 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.175 -12.344 5.109 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.406 -10.051 4.675 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.072 -9.994 5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.459 -10.081 3.842 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.834 -9.994 2.758 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.782 -7.804 4.455 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.353 -9.088 2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.038 -7.499 2.082 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.671 -5.776 3.992 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.094 -5.640 2.954 1.00 0.00 H new ATOM 1049 N ASN A 67 -5.726 -13.548 7.634 1.00 0.00 N ATOM 1050 CA ASN A 67 -6.129 -13.677 9.028 1.00 0.00 C ATOM 1051 C ASN A 67 -5.035 -13.147 9.949 1.00 0.00 C ATOM 1052 O ASN A 67 -5.301 -12.750 11.082 1.00 0.00 O ATOM 1053 CB ASN A 67 -6.415 -15.142 9.354 1.00 0.00 C ATOM 1054 CG ASN A 67 -7.394 -15.721 8.338 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -7.754 -16.895 8.421 1.00 0.00 O ATOM 1056 ND2 ASN A 67 -7.846 -14.964 7.375 1.00 0.00 N ATOM 0 H ASN A 67 -5.650 -14.431 7.129 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.034 -13.090 9.185 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.487 -15.713 9.343 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.829 -15.225 10.359 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.499 -15.345 6.690 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.547 -13.991 7.308 1.00 0.00 H new ATOM 1063 N GLN A 68 -3.802 -13.145 9.454 1.00 0.00 N ATOM 1064 CA GLN A 68 -2.675 -12.661 10.242 1.00 0.00 C ATOM 1065 C GLN A 68 -3.001 -11.308 10.868 1.00 0.00 C ATOM 1066 O GLN A 68 -2.399 -10.915 11.868 1.00 0.00 O ATOM 1067 CB GLN A 68 -1.433 -12.533 9.358 1.00 0.00 C ATOM 1068 CG GLN A 68 -0.248 -12.071 10.208 1.00 0.00 C ATOM 1069 CD GLN A 68 1.033 -12.114 9.382 1.00 0.00 C ATOM 1070 OE1 GLN A 68 1.078 -12.765 8.339 1.00 0.00 O ATOM 1071 NE2 GLN A 68 2.083 -11.454 9.790 1.00 0.00 N ATOM 0 H GLN A 68 -3.559 -13.470 8.518 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.478 -13.379 11.038 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.207 -13.491 8.889 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -1.617 -11.820 8.554 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.423 -11.058 10.571 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.147 -12.711 11.085 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.042 -10.915 10.655 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.944 -11.477 9.244 1.00 0.00 H new ATOM 1080 N ALA A 69 -3.953 -10.595 10.274 1.00 0.00 N ATOM 1081 CA ALA A 69 -4.352 -9.287 10.786 1.00 0.00 C ATOM 1082 C ALA A 69 -5.360 -9.444 11.920 1.00 0.00 C ATOM 1083 O ALA A 69 -5.483 -8.578 12.777 1.00 0.00 O ATOM 1084 CB ALA A 69 -4.968 -8.453 9.661 1.00 0.00 C ATOM 0 H ALA A 69 -4.460 -10.898 9.443 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.467 -8.779 11.170 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.263 -7.479 10.050 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.236 -8.319 8.865 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.844 -8.966 9.265 1.00 0.00 H new ATOM 1090 N LEU A 70 -6.089 -10.552 11.914 1.00 0.00 N ATOM 1091 CA LEU A 70 -7.080 -10.803 12.952 1.00 0.00 C ATOM 1092 C LEU A 70 -6.411 -11.062 14.300 1.00 0.00 C ATOM 1093 O LEU A 70 -6.876 -10.589 15.336 1.00 0.00 O ATOM 1094 CB LEU A 70 -7.950 -11.998 12.564 1.00 0.00 C ATOM 1095 CG LEU A 70 -8.830 -11.632 11.363 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -9.514 -12.900 10.843 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -9.895 -10.591 11.773 1.00 0.00 C ATOM 0 H LEU A 70 -6.014 -11.285 11.209 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.705 -9.915 13.047 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.320 -12.853 12.318 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.574 -12.294 13.407 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.209 -11.198 10.579 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.143 -12.650 9.988 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.757 -13.623 10.538 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.130 -13.331 11.632 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.512 -10.342 10.909 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.524 -11.005 12.561 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.402 -9.690 12.139 1.00 0.00 H new ATOM 1109 N THR A 71 -5.321 -11.822 14.276 1.00 0.00 N ATOM 1110 CA THR A 71 -4.597 -12.149 15.502 1.00 0.00 C ATOM 1111 C THR A 71 -4.052 -10.888 16.161 1.00 0.00 C ATOM 1112 O THR A 71 -3.752 -10.882 17.354 1.00 0.00 O ATOM 1113 CB THR A 71 -3.445 -13.105 15.188 1.00 0.00 C ATOM 1114 OG1 THR A 71 -2.571 -13.173 16.305 1.00 0.00 O ATOM 1115 CG2 THR A 71 -2.678 -12.597 13.970 1.00 0.00 C ATOM 0 H THR A 71 -4.920 -12.222 13.427 1.00 0.00 H new ATOM 0 HA THR A 71 -5.291 -12.630 16.192 1.00 0.00 H new ATOM 0 HB THR A 71 -3.843 -14.097 14.976 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.833 -13.786 16.106 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.857 -13.279 13.747 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.350 -12.545 13.113 1.00 0.00 H new ATOM 0 HG23 THR A 71 -2.279 -11.605 14.179 1.00 0.00 H new ATOM 1123 N GLN A 72 -3.924 -9.824 15.380 1.00 0.00 N ATOM 1124 CA GLN A 72 -3.411 -8.564 15.904 1.00 0.00 C ATOM 1125 C GLN A 72 -4.341 -8.009 16.977 1.00 0.00 C ATOM 1126 O GLN A 72 -3.889 -7.462 17.982 1.00 0.00 O ATOM 1127 CB GLN A 72 -3.280 -7.548 14.771 1.00 0.00 C ATOM 1128 CG GLN A 72 -2.243 -8.038 13.756 1.00 0.00 C ATOM 1129 CD GLN A 72 -0.841 -7.919 14.343 1.00 0.00 C ATOM 1130 OE1 GLN A 72 -0.422 -8.765 15.133 1.00 0.00 O ATOM 1131 NE2 GLN A 72 -0.086 -6.910 14.002 1.00 0.00 N ATOM 0 H GLN A 72 -4.166 -9.807 14.389 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.433 -8.748 16.348 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.244 -7.408 14.282 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.982 -6.579 15.171 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.447 -9.075 13.487 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.313 -7.452 12.840 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.435 -6.210 13.347 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.853 -6.822 14.390 1.00 0.00 H new ATOM 1140 N LEU A 73 -5.643 -8.154 16.759 1.00 0.00 N ATOM 1141 CA LEU A 73 -6.629 -7.664 17.714 1.00 0.00 C ATOM 1142 C LEU A 73 -6.486 -8.397 19.043 1.00 0.00 C ATOM 1143 O LEU A 73 -6.581 -7.791 20.110 1.00 0.00 O ATOM 1144 CB LEU A 73 -8.044 -7.875 17.151 1.00 0.00 C ATOM 1145 CG LEU A 73 -8.384 -6.760 16.143 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -9.421 -7.271 15.141 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -8.965 -5.542 16.878 1.00 0.00 C ATOM 0 H LEU A 73 -6.039 -8.604 15.934 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.462 -6.600 17.881 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.109 -8.848 16.664 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.771 -7.876 17.963 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.472 -6.471 15.622 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.660 -6.481 14.429 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.017 -8.131 14.606 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.326 -7.566 15.672 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.202 -4.760 16.156 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.872 -5.835 17.406 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.234 -5.166 17.593 1.00 0.00 H new ATOM 1159 N LYS A 74 -6.261 -9.702 18.973 1.00 0.00 N ATOM 1160 CA LYS A 74 -6.112 -10.492 20.188 1.00 0.00 C ATOM 1161 C LYS A 74 -4.980 -9.934 21.044 1.00 0.00 C ATOM 1162 O LYS A 74 -5.148 -9.713 22.243 1.00 0.00 O ATOM 1163 CB LYS A 74 -5.799 -11.945 19.822 1.00 0.00 C ATOM 1164 CG LYS A 74 -5.780 -12.815 21.086 1.00 0.00 C ATOM 1165 CD LYS A 74 -5.187 -14.187 20.758 1.00 0.00 C ATOM 1166 CE LYS A 74 -6.121 -14.955 19.821 1.00 0.00 C ATOM 1167 NZ LYS A 74 -5.725 -16.392 19.810 1.00 0.00 N ATOM 0 H LYS A 74 -6.179 -10.229 18.104 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.043 -10.447 20.752 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.546 -12.321 19.123 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.834 -12.001 19.318 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.191 -12.330 21.864 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.791 -12.929 21.476 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.210 -14.067 20.291 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.034 -14.754 21.676 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.154 -14.852 20.152 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.066 -14.542 18.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.876 -16.786 18.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.720 -16.477 20.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.302 -16.916 20.498 1.00 0.00 H new ATOM 1181 N GLU A 75 -3.830 -9.711 20.421 1.00 0.00 N ATOM 1182 CA GLU A 75 -2.678 -9.182 21.138 1.00 0.00 C ATOM 1183 C GLU A 75 -2.936 -7.748 21.583 1.00 0.00 C ATOM 1184 O GLU A 75 -2.474 -7.325 22.642 1.00 0.00 O ATOM 1185 CB GLU A 75 -1.436 -9.229 20.247 1.00 0.00 C ATOM 1186 CG GLU A 75 -1.052 -10.687 19.983 1.00 0.00 C ATOM 1187 CD GLU A 75 0.137 -10.750 19.033 1.00 0.00 C ATOM 1188 OE1 GLU A 75 0.616 -9.698 18.643 1.00 0.00 O ATOM 1189 OE2 GLU A 75 0.554 -11.850 18.709 1.00 0.00 O ATOM 0 H GLU A 75 -3.671 -9.887 19.429 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.511 -9.799 22.021 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.632 -8.717 19.305 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.610 -8.706 20.729 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.804 -11.182 20.922 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.899 -11.223 19.554 1.00 0.00 H new ATOM 1196 N GLN A 76 -3.669 -7.003 20.762 1.00 0.00 N ATOM 1197 CA GLN A 76 -3.968 -5.612 21.079 1.00 0.00 C ATOM 1198 C GLN A 76 -4.810 -5.519 22.347 1.00 0.00 C ATOM 1199 O GLN A 76 -4.439 -4.833 23.299 1.00 0.00 O ATOM 1200 CB GLN A 76 -4.727 -4.970 19.914 1.00 0.00 C ATOM 1201 CG GLN A 76 -4.857 -3.461 20.142 1.00 0.00 C ATOM 1202 CD GLN A 76 -3.485 -2.804 20.051 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -3.175 -1.843 20.876 1.00 0.00 O flip ATOM 1204 NE2 GLN A 76 -2.673 -3.177 19.204 1.00 0.00 N flip ATOM 0 H GLN A 76 -4.063 -7.335 19.882 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.029 -5.084 21.242 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.202 -5.161 18.978 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.716 -5.419 19.822 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.527 -3.028 19.399 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.298 -3.269 21.120 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.917 -3.929 18.560 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.756 -2.734 19.147 1.00 0.00 H new ATOM 1213 N VAL A 77 -5.942 -6.216 22.356 1.00 0.00 N ATOM 1214 CA VAL A 77 -6.822 -6.202 23.518 1.00 0.00 C ATOM 1215 C VAL A 77 -6.102 -6.769 24.739 1.00 0.00 C ATOM 1216 O VAL A 77 -6.144 -6.188 25.822 1.00 0.00 O ATOM 1217 CB VAL A 77 -8.082 -7.024 23.230 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -8.942 -7.113 24.493 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -8.885 -6.349 22.114 1.00 0.00 C ATOM 0 H VAL A 77 -6.269 -6.792 21.580 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.106 -5.171 23.726 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.794 -8.028 22.919 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.837 -7.699 24.283 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.372 -7.594 25.288 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.230 -6.110 24.808 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.782 -6.932 21.907 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.169 -5.344 22.427 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.276 -6.289 21.212 1.00 0.00 H new ATOM 1229 N THR A 78 -5.444 -7.909 24.552 1.00 0.00 N ATOM 1230 CA THR A 78 -4.717 -8.551 25.643 1.00 0.00 C ATOM 1231 C THR A 78 -3.617 -7.637 26.170 1.00 0.00 C ATOM 1232 O THR A 78 -3.451 -7.480 27.379 1.00 0.00 O ATOM 1233 CB THR A 78 -4.105 -9.867 25.158 1.00 0.00 C ATOM 1234 OG1 THR A 78 -5.144 -10.759 24.779 1.00 0.00 O ATOM 1235 CG2 THR A 78 -3.280 -10.492 26.284 1.00 0.00 C ATOM 0 H THR A 78 -5.399 -8.405 23.662 1.00 0.00 H new ATOM 0 HA THR A 78 -5.419 -8.753 26.452 1.00 0.00 H new ATOM 0 HB THR A 78 -3.460 -9.675 24.301 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.380 -10.606 23.840 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.844 -11.429 25.939 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.484 -9.807 26.575 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.924 -10.686 27.142 1.00 0.00 H new ATOM 1243 N SER A 79 -2.868 -7.036 25.251 1.00 0.00 N ATOM 1244 CA SER A 79 -1.782 -6.140 25.628 1.00 0.00 C ATOM 1245 C SER A 79 -2.328 -4.911 26.347 1.00 0.00 C ATOM 1246 O SER A 79 -1.719 -4.413 27.294 1.00 0.00 O ATOM 1247 CB SER A 79 -1.004 -5.707 24.386 1.00 0.00 C ATOM 1248 OG SER A 79 0.075 -4.867 24.779 1.00 0.00 O ATOM 0 H SER A 79 -2.992 -7.153 24.245 1.00 0.00 H new ATOM 0 HA SER A 79 -1.113 -6.674 26.303 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.626 -6.581 23.856 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.661 -5.176 23.697 1.00 0.00 H new ATOM 0 HG SER A 79 0.578 -4.588 23.986 1.00 0.00 H new ATOM 1254 N ALA A 80 -3.474 -4.420 25.885 1.00 0.00 N ATOM 1255 CA ALA A 80 -4.083 -3.241 26.489 1.00 0.00 C ATOM 1256 C ALA A 80 -4.275 -3.443 27.988 1.00 0.00 C ATOM 1257 O ALA A 80 -3.906 -2.585 28.791 1.00 0.00 O ATOM 1258 CB ALA A 80 -5.438 -2.965 25.833 1.00 0.00 C ATOM 0 H ALA A 80 -3.995 -4.816 25.102 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.420 -2.391 26.332 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.889 -2.083 26.288 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.297 -2.792 24.766 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.094 -3.824 25.977 1.00 0.00 H new ATOM 1264 N LEU A 81 -4.849 -4.579 28.360 1.00 0.00 N ATOM 1265 CA LEU A 81 -5.078 -4.880 29.767 1.00 0.00 C ATOM 1266 C LEU A 81 -3.751 -5.059 30.498 1.00 0.00 C ATOM 1267 O LEU A 81 -3.644 -4.769 31.690 1.00 0.00 O ATOM 1268 CB LEU A 81 -5.912 -6.154 29.891 1.00 0.00 C ATOM 1269 CG LEU A 81 -7.176 -6.022 29.038 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -7.957 -7.340 29.086 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -8.057 -4.882 29.578 1.00 0.00 C ATOM 0 H LEU A 81 -5.163 -5.302 27.713 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.616 -4.047 30.220 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.329 -7.016 29.566 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.180 -6.326 30.933 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.895 -5.797 28.009 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.858 -7.251 28.480 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.335 -8.146 28.696 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.233 -7.562 30.117 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.954 -4.794 28.966 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.340 -5.098 30.608 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.501 -3.945 29.543 1.00 0.00 H new ATOM 1283 N GLY A 82 -2.743 -5.537 29.776 1.00 0.00 N ATOM 1284 CA GLY A 82 -1.427 -5.747 30.368 1.00 0.00 C ATOM 1285 C GLY A 82 -1.390 -7.052 31.155 1.00 0.00 C ATOM 1286 O GLY A 82 -0.518 -7.253 32.001 1.00 0.00 O ATOM 0 H GLY A 82 -2.811 -5.784 28.789 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.670 -5.768 29.584 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.182 -4.913 31.026 1.00 0.00 H new ATOM 1290 N LEU A 83 -2.345 -7.932 30.877 1.00 0.00 N ATOM 1291 CA LEU A 83 -2.415 -9.211 31.574 1.00 0.00 C ATOM 1292 C LEU A 83 -1.200 -10.068 31.247 1.00 0.00 C ATOM 1293 O LEU A 83 -0.628 -10.705 32.131 1.00 0.00 O ATOM 1294 CB LEU A 83 -3.692 -9.953 31.170 1.00 0.00 C ATOM 1295 CG LEU A 83 -4.920 -9.243 31.762 1.00 0.00 C ATOM 1296 CD1 LEU A 83 -6.181 -9.758 31.066 1.00 0.00 C ATOM 1297 CD2 LEU A 83 -5.026 -9.513 33.277 1.00 0.00 C ATOM 0 H LEU A 83 -3.076 -7.786 30.180 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.429 -9.020 32.647 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.772 -9.992 30.084 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -3.651 -10.983 31.523 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.816 -8.169 31.605 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.056 -9.258 31.482 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.118 -9.550 29.998 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.269 -10.833 31.222 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.902 -9.002 33.677 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.121 -10.585 33.450 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.130 -9.143 33.776 1.00 0.00 H new ATOM 1309 N GLU A 84 -0.809 -10.073 29.977 1.00 0.00 N ATOM 1310 CA GLU A 84 0.344 -10.853 29.544 1.00 0.00 C ATOM 1311 C GLU A 84 0.135 -12.329 29.867 1.00 0.00 C ATOM 1312 O GLU A 84 -0.154 -12.688 31.007 1.00 0.00 O ATOM 1313 CB GLU A 84 1.611 -10.349 30.238 1.00 0.00 C ATOM 1314 CG GLU A 84 2.829 -11.080 29.672 1.00 0.00 C ATOM 1315 CD GLU A 84 4.100 -10.562 30.337 1.00 0.00 C ATOM 1316 OE1 GLU A 84 3.983 -9.872 31.336 1.00 0.00 O ATOM 1317 OE2 GLU A 84 5.171 -10.864 29.837 1.00 0.00 O ATOM 0 H GLU A 84 -1.271 -9.549 29.234 1.00 0.00 H new ATOM 0 HA GLU A 84 0.456 -10.737 28.466 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.717 -9.274 30.089 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.541 -10.516 31.313 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.731 -12.152 29.840 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.885 -10.930 28.594 1.00 0.00 H new ATOM 1324 N HIS A 85 0.287 -13.179 28.857 1.00 0.00 N ATOM 1325 CA HIS A 85 0.113 -14.616 29.042 1.00 0.00 C ATOM 1326 C HIS A 85 -1.279 -14.924 29.588 1.00 0.00 C ATOM 1327 O HIS A 85 -1.675 -14.418 30.638 1.00 0.00 O ATOM 1328 CB HIS A 85 1.177 -15.152 30.005 1.00 0.00 C ATOM 1329 CG HIS A 85 1.002 -16.635 30.172 1.00 0.00 C ATOM 1330 ND1 HIS A 85 0.546 -17.199 31.353 1.00 0.00 N ATOM 1331 CD2 HIS A 85 1.218 -17.685 29.314 1.00 0.00 C ATOM 1332 CE1 HIS A 85 0.505 -18.533 31.176 1.00 0.00 C ATOM 1333 NE2 HIS A 85 0.904 -18.882 29.951 1.00 0.00 N ATOM 0 H HIS A 85 0.529 -12.900 27.906 1.00 0.00 H new ATOM 0 HA HIS A 85 0.223 -15.104 28.074 1.00 0.00 H new ATOM 0 HB2 HIS A 85 2.173 -14.934 29.621 1.00 0.00 H new ATOM 0 HB3 HIS A 85 1.092 -14.654 30.971 1.00 0.00 H new ATOM 0 HD2 HIS A 85 1.577 -17.596 28.299 1.00 0.00 H new ATOM 0 HE1 HIS A 85 0.188 -19.235 31.933 1.00 0.00 H new ATOM 0 HE2 HIS A 85 0.966 -19.824 29.565 1.00 0.00 H new ATOM 1341 N HIS A 86 -2.020 -15.758 28.868 1.00 0.00 N ATOM 1342 CA HIS A 86 -3.366 -16.122 29.290 1.00 0.00 C ATOM 1343 C HIS A 86 -3.315 -17.054 30.496 1.00 0.00 C ATOM 1344 O HIS A 86 -2.427 -17.900 30.599 1.00 0.00 O ATOM 1345 CB HIS A 86 -4.104 -16.811 28.142 1.00 0.00 C ATOM 1346 CG HIS A 86 -4.209 -15.866 26.976 1.00 0.00 C ATOM 1347 ND1 HIS A 86 -3.536 -15.808 25.780 1.00 0.00 N flip ATOM 1348 CD2 HIS A 86 -5.103 -14.807 26.960 1.00 0.00 C flip ATOM 1349 CE1 HIS A 86 -4.003 -14.731 25.032 1.00 0.00 C flip ATOM 1350 NE2 HIS A 86 -4.946 -14.162 25.789 1.00 0.00 N flip ATOM 0 H HIS A 86 -1.715 -16.191 27.997 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.898 -15.213 29.570 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.573 -17.715 27.845 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.098 -17.117 28.466 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.799 -14.547 27.744 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -3.674 -14.422 24.051 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.482 -13.339 25.513 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.272 -16.892 31.407 1.00 0.00 N ATOM 1359 CA HIS A 87 -4.326 -17.725 32.607 1.00 0.00 C ATOM 1360 C HIS A 87 -5.126 -18.995 32.336 1.00 0.00 C ATOM 1361 O HIS A 87 -6.291 -19.101 32.720 1.00 0.00 O ATOM 1362 CB HIS A 87 -4.977 -16.947 33.751 1.00 0.00 C ATOM 1363 CG HIS A 87 -4.847 -17.732 35.027 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -5.757 -18.715 35.385 1.00 0.00 N ATOM 1365 CD2 HIS A 87 -3.920 -17.692 36.039 1.00 0.00 C ATOM 1366 CE1 HIS A 87 -5.361 -19.223 36.566 1.00 0.00 C ATOM 1367 NE2 HIS A 87 -4.247 -18.635 37.010 1.00 0.00 N ATOM 0 H HIS A 87 -5.016 -16.197 31.339 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.309 -17.999 32.886 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.500 -15.973 33.860 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.028 -16.764 33.529 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -6.577 -19.001 34.850 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -3.067 -17.030 36.076 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.881 -20.011 37.091 1.00 0.00 H new ATOM 1375 N HIS A 88 -4.491 -19.953 31.671 1.00 0.00 N ATOM 1376 CA HIS A 88 -5.149 -21.214 31.352 1.00 0.00 C ATOM 1377 C HIS A 88 -5.445 -22.002 32.624 1.00 0.00 C ATOM 1378 O HIS A 88 -6.519 -22.587 32.769 1.00 0.00 O ATOM 1379 CB HIS A 88 -4.263 -22.047 30.423 1.00 0.00 C ATOM 1380 CG HIS A 88 -5.031 -23.249 29.945 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -6.410 -23.337 30.056 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -4.629 -24.416 29.342 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -6.785 -24.519 29.534 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -5.739 -25.216 29.084 1.00 0.00 N ATOM 0 H HIS A 88 -3.527 -19.882 31.344 1.00 0.00 H new ATOM 0 HA HIS A 88 -6.091 -20.993 30.850 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.942 -21.445 29.573 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.362 -22.363 30.949 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.608 -24.674 29.104 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -7.808 -24.862 29.485 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -5.751 -26.137 28.645 1.00 0.00 H new ATOM 1392 N HIS A 89 -4.480 -22.017 33.544 1.00 0.00 N ATOM 1393 CA HIS A 89 -4.639 -22.738 34.806 1.00 0.00 C ATOM 1394 C HIS A 89 -3.891 -22.025 35.929 1.00 0.00 C ATOM 1395 O HIS A 89 -2.991 -21.224 35.677 1.00 0.00 O ATOM 1396 CB HIS A 89 -4.105 -24.164 34.659 1.00 0.00 C ATOM 1397 CG HIS A 89 -4.885 -24.883 33.593 1.00 0.00 C ATOM 1398 ND1 HIS A 89 -6.154 -25.390 33.820 1.00 0.00 N ATOM 1399 CD2 HIS A 89 -4.589 -25.186 32.287 1.00 0.00 C ATOM 1400 CE1 HIS A 89 -6.572 -25.966 32.679 1.00 0.00 C ATOM 1401 NE2 HIS A 89 -5.656 -25.870 31.712 1.00 0.00 N ATOM 0 H HIS A 89 -3.584 -21.540 33.439 1.00 0.00 H new ATOM 0 HA HIS A 89 -5.700 -22.770 35.056 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.047 -24.143 34.399 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -4.189 -24.695 35.607 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.668 -24.932 31.783 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -7.531 -26.447 32.559 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -5.724 -26.222 30.757 1.00 0.00 H new ATOM 1409 N HIS A 90 -4.269 -22.325 37.166 1.00 0.00 N ATOM 1410 CA HIS A 90 -3.629 -21.708 38.322 1.00 0.00 C ATOM 1411 C HIS A 90 -2.127 -21.975 38.308 1.00 0.00 C ATOM 1412 O HIS A 90 -1.733 -23.052 38.727 1.00 0.00 O ATOM 1413 CB HIS A 90 -4.236 -22.263 39.612 1.00 0.00 C ATOM 1414 CG HIS A 90 -5.664 -21.804 39.731 1.00 0.00 C ATOM 1415 ND1 HIS A 90 -6.701 -22.441 39.068 1.00 0.00 N ATOM 1416 CD2 HIS A 90 -6.243 -20.776 40.431 1.00 0.00 C ATOM 1417 CE1 HIS A 90 -7.840 -21.795 39.381 1.00 0.00 C ATOM 1418 NE2 HIS A 90 -7.616 -20.772 40.209 1.00 0.00 N ATOM 1419 OXT HIS A 90 -1.394 -21.101 37.879 1.00 0.00 O ATOM 0 H HIS A 90 -5.011 -22.987 37.394 1.00 0.00 H new ATOM 0 HA HIS A 90 -3.796 -20.632 38.276 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -4.192 -23.352 39.608 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -3.660 -21.923 40.473 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -5.713 -20.076 41.059 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -8.815 -22.071 39.008 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.304 -20.126 40.596 1.00 0.00 H new TER 1427 HIS A 90