USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 986 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 89 HIS : no HD1:sc= 0 X(o=0.037,f=0.037) USER MOD Set 1.2: A 93 THR OG1 : rot 73:sc= 0.0375 USER MOD Set 2.1: A 35 GLN : amide:sc= 0.312 K(o=1.4,f=-0.21) USER MOD Set 2.2: A 37 SER OG : rot -104:sc= 1.05 USER MOD Set 3.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0758 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.42 K(o=-1.4,f=-4.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 83:sc= 0.924 USER MOD Single : A 16 LYS NZ :NH3+ 156:sc= -0.0683 (180deg=-0.415) USER MOD Single : A 17 GLN : amide:sc= -0.25 K(o=-0.25,f=-1) USER MOD Single : A 18 MET CE :methyl 139:sc= -2.64! (180deg=-5.48!) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.98 F(o=-2.2!,f=-0.98) USER MOD Single : A 24 THR OG1 : rot 82:sc= 0.0984 USER MOD Single : A 27 ASN : amide:sc= 0.269 X(o=0.27,f=-0.043) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0191) USER MOD Single : A 42 GLN : amide:sc= -3.32! C(o=-3.3!,f=-4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 30:sc= 0 USER MOD Single : A 53 TYR OH : rot 1:sc= 0.368 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -139:sc= 1.23 (180deg=-0.974) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -1.17 F(o=-3.2!,f=-1.2) USER MOD Single : A 72 HIS : no HD1:sc= -1.95! C(o=-2!,f=-5.5!) USER MOD Single : A 73 LYS NZ :NH3+ 153:sc= 0.406 (180deg=0.119) USER MOD Single : A 74 TYR OH : rot 120:sc= -0.586 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -128:sc= -0.625 (180deg=-4.48!) USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -7.78! C(o=-7.8!,f=-9.7!) USER MOD Single : A 92 GLN :FLIP amide:sc= -0.318 F(o=-1.5!,f=-0.32) USER MOD Single : A 95 ASN :FLIP amide:sc= -4.04! C(o=-5.1!,f=-4!) USER MOD Single : A 99 SER OG : rot 180:sc= -0.252 USER MOD Single : A 100 GLN : amide:sc= -0.079 K(o=-0.079,f=-1.5!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -90:sc= -0.0221 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -1.87 K(o=-1.9,f=-9.3!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.004 20.435 23.895 1.00 0.00 N ATOM 2 CA GLY A 1 15.798 20.742 22.719 1.00 0.00 C ATOM 3 C GLY A 1 14.958 21.270 21.574 1.00 0.00 C ATOM 4 O GLY A 1 13.729 21.269 21.645 1.00 0.00 O ATOM 0 H1 GLY A 1 15.298 21.048 24.682 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.998 20.597 23.687 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.147 19.439 24.160 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.557 21.480 22.979 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.324 19.844 22.395 1.00 0.00 H new ATOM 8 N SER A 2 15.621 21.724 20.515 1.00 0.00 N ATOM 9 CA SER A 2 14.927 22.263 19.352 1.00 0.00 C ATOM 10 C SER A 2 15.113 21.355 18.140 1.00 0.00 C ATOM 11 O SER A 2 16.230 21.166 17.658 1.00 0.00 O ATOM 12 CB SER A 2 15.438 23.670 19.033 1.00 0.00 C ATOM 13 OG SER A 2 15.424 24.491 20.187 1.00 0.00 O ATOM 0 H SER A 2 16.638 21.729 20.439 1.00 0.00 H new ATOM 0 HA SER A 2 13.864 22.315 19.586 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.452 23.611 18.637 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.818 24.118 18.256 1.00 0.00 H new ATOM 0 HG SER A 2 15.756 25.384 19.957 1.00 0.00 H new ATOM 19 N SER A 3 14.010 20.796 17.652 1.00 0.00 N ATOM 20 CA SER A 3 14.051 19.905 16.499 1.00 0.00 C ATOM 21 C SER A 3 12.649 19.671 15.944 1.00 0.00 C ATOM 22 O SER A 3 11.693 19.491 16.697 1.00 0.00 O ATOM 23 CB SER A 3 14.689 18.569 16.882 1.00 0.00 C ATOM 24 OG SER A 3 14.042 17.998 18.006 1.00 0.00 O ATOM 0 H SER A 3 13.077 20.945 18.037 1.00 0.00 H new ATOM 0 HA SER A 3 14.655 20.379 15.726 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.634 17.881 16.038 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.746 18.717 17.103 1.00 0.00 H new ATOM 0 HG SER A 3 14.468 17.144 18.229 1.00 0.00 H new ATOM 30 N GLY A 4 12.535 19.674 14.619 1.00 0.00 N ATOM 31 CA GLY A 4 11.247 19.462 13.985 1.00 0.00 C ATOM 32 C GLY A 4 11.321 18.466 12.844 1.00 0.00 C ATOM 33 O GLY A 4 12.407 18.133 12.371 1.00 0.00 O ATOM 0 H GLY A 4 13.312 19.819 13.974 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.533 19.106 14.728 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.869 20.413 13.610 1.00 0.00 H new ATOM 37 N SER A 5 10.162 17.988 12.402 1.00 0.00 N ATOM 38 CA SER A 5 10.099 17.020 11.313 1.00 0.00 C ATOM 39 C SER A 5 9.855 17.718 9.979 1.00 0.00 C ATOM 40 O SER A 5 9.566 18.914 9.935 1.00 0.00 O ATOM 41 CB SER A 5 8.993 15.997 11.576 1.00 0.00 C ATOM 42 OG SER A 5 7.717 16.535 11.272 1.00 0.00 O ATOM 0 H SER A 5 9.254 18.255 12.781 1.00 0.00 H new ATOM 0 HA SER A 5 11.058 16.504 11.263 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.168 15.105 10.974 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.021 15.687 12.621 1.00 0.00 H new ATOM 0 HG SER A 5 7.028 15.861 11.447 1.00 0.00 H new ATOM 48 N SER A 6 9.975 16.962 8.892 1.00 0.00 N ATOM 49 CA SER A 6 9.772 17.508 7.555 1.00 0.00 C ATOM 50 C SER A 6 8.803 16.642 6.756 1.00 0.00 C ATOM 51 O SER A 6 8.702 15.436 6.979 1.00 0.00 O ATOM 52 CB SER A 6 11.107 17.614 6.816 1.00 0.00 C ATOM 53 OG SER A 6 11.893 18.674 7.332 1.00 0.00 O ATOM 0 H SER A 6 10.212 15.970 8.911 1.00 0.00 H new ATOM 0 HA SER A 6 9.342 18.504 7.658 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.652 16.675 6.908 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.926 17.775 5.753 1.00 0.00 H new ATOM 0 HG SER A 6 12.742 18.720 6.844 1.00 0.00 H new ATOM 59 N GLY A 7 8.091 17.267 5.823 1.00 0.00 N ATOM 60 CA GLY A 7 7.139 16.539 5.005 1.00 0.00 C ATOM 61 C GLY A 7 5.917 16.101 5.787 1.00 0.00 C ATOM 62 O GLY A 7 6.031 15.367 6.769 1.00 0.00 O ATOM 0 H GLY A 7 8.157 18.264 5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.827 17.167 4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.627 15.662 4.579 1.00 0.00 H new ATOM 66 N SER A 8 4.745 16.553 5.354 1.00 0.00 N ATOM 67 CA SER A 8 3.497 16.208 6.024 1.00 0.00 C ATOM 68 C SER A 8 3.194 14.720 5.875 1.00 0.00 C ATOM 69 O SER A 8 3.405 14.120 4.821 1.00 0.00 O ATOM 70 CB SER A 8 2.342 17.034 5.455 1.00 0.00 C ATOM 71 OG SER A 8 2.278 16.918 4.044 1.00 0.00 O ATOM 0 H SER A 8 4.633 17.159 4.542 1.00 0.00 H new ATOM 0 HA SER A 8 3.608 16.435 7.084 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.402 16.700 5.893 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.469 18.081 5.732 1.00 0.00 H new ATOM 0 HG SER A 8 1.531 17.454 3.705 1.00 0.00 H new ATOM 77 N PRO A 9 2.688 14.109 6.956 1.00 0.00 N ATOM 78 CA PRO A 9 2.344 12.684 6.972 1.00 0.00 C ATOM 79 C PRO A 9 1.129 12.371 6.105 1.00 0.00 C ATOM 80 O PRO A 9 0.292 13.238 5.857 1.00 0.00 O ATOM 81 CB PRO A 9 2.034 12.410 8.446 1.00 0.00 C ATOM 82 CG PRO A 9 1.615 13.730 8.996 1.00 0.00 C ATOM 83 CD PRO A 9 2.411 14.762 8.246 1.00 0.00 C ATOM 0 HA PRO A 9 3.147 12.067 6.569 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.243 11.667 8.553 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.908 12.022 8.969 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.545 13.888 8.860 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.812 13.787 10.067 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.848 15.686 8.116 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.331 15.020 8.771 1.00 0.00 H new ATOM 91 N ASN A 10 1.040 11.127 5.647 1.00 0.00 N ATOM 92 CA ASN A 10 -0.073 10.699 4.807 1.00 0.00 C ATOM 93 C ASN A 10 -1.407 11.125 5.413 1.00 0.00 C ATOM 94 O ASN A 10 -1.588 11.138 6.631 1.00 0.00 O ATOM 95 CB ASN A 10 -0.046 9.181 4.622 1.00 0.00 C ATOM 96 CG ASN A 10 1.305 8.680 4.149 1.00 0.00 C ATOM 97 OD1 ASN A 10 2.250 9.455 4.004 1.00 0.00 O ATOM 98 ND2 ASN A 10 1.401 7.378 3.905 1.00 0.00 N ATOM 0 H ASN A 10 1.725 10.397 5.843 1.00 0.00 H new ATOM 0 HA ASN A 10 0.034 11.178 3.834 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.299 8.698 5.566 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -0.810 8.892 3.901 1.00 0.00 H new ATOM 0 HD21 ASN A 10 2.285 6.983 3.583 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.591 6.773 4.039 1.00 0.00 H new ATOM 105 N PRO A 11 -2.365 11.482 4.545 1.00 0.00 N ATOM 106 CA PRO A 11 -3.700 11.913 4.971 1.00 0.00 C ATOM 107 C PRO A 11 -4.519 10.769 5.557 1.00 0.00 C ATOM 108 O PRO A 11 -4.242 9.592 5.325 1.00 0.00 O ATOM 109 CB PRO A 11 -4.339 12.421 3.677 1.00 0.00 C ATOM 110 CG PRO A 11 -3.628 11.690 2.591 1.00 0.00 C ATOM 111 CD PRO A 11 -2.220 11.490 3.080 1.00 0.00 C ATOM 0 HA PRO A 11 -3.653 12.662 5.761 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.409 12.216 3.657 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.219 13.499 3.573 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.109 10.734 2.384 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.641 12.261 1.663 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.796 10.555 2.713 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.561 12.291 2.746 1.00 0.00 H new ATOM 119 N PRO A 12 -5.555 11.119 6.335 1.00 0.00 N ATOM 120 CA PRO A 12 -6.437 10.134 6.969 1.00 0.00 C ATOM 121 C PRO A 12 -7.316 9.407 5.957 1.00 0.00 C ATOM 122 O PRO A 12 -7.927 8.385 6.271 1.00 0.00 O ATOM 123 CB PRO A 12 -7.295 10.982 7.911 1.00 0.00 C ATOM 124 CG PRO A 12 -7.290 12.344 7.306 1.00 0.00 C ATOM 125 CD PRO A 12 -5.944 12.502 6.654 1.00 0.00 C ATOM 0 HA PRO A 12 -5.875 9.348 7.473 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.308 10.587 7.987 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.881 10.995 8.919 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.092 12.450 6.576 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.448 13.109 8.066 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.002 13.120 5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.227 12.977 7.323 1.00 0.00 H new ATOM 133 N LYS A 13 -7.376 9.940 4.741 1.00 0.00 N ATOM 134 CA LYS A 13 -8.179 9.342 3.682 1.00 0.00 C ATOM 135 C LYS A 13 -7.392 8.263 2.946 1.00 0.00 C ATOM 136 O LYS A 13 -7.940 7.225 2.574 1.00 0.00 O ATOM 137 CB LYS A 13 -8.640 10.416 2.694 1.00 0.00 C ATOM 138 CG LYS A 13 -9.808 11.246 3.198 1.00 0.00 C ATOM 139 CD LYS A 13 -10.195 12.326 2.203 1.00 0.00 C ATOM 140 CE LYS A 13 -10.852 11.734 0.965 1.00 0.00 C ATOM 141 NZ LYS A 13 -11.417 12.789 0.078 1.00 0.00 N ATOM 0 H LYS A 13 -6.877 10.786 4.465 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.053 8.880 4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.803 11.078 2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.923 9.938 1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.664 10.597 3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.545 11.705 4.151 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.878 13.031 2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.308 12.889 1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.119 11.147 0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.645 11.050 1.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.856 12.345 -0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.134 13.333 0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.656 13.427 -0.231 1.00 0.00 H new ATOM 155 N LEU A 14 -6.104 8.515 2.739 1.00 0.00 N ATOM 156 CA LEU A 14 -5.240 7.564 2.048 1.00 0.00 C ATOM 157 C LEU A 14 -4.799 6.446 2.988 1.00 0.00 C ATOM 158 O LEU A 14 -4.981 5.264 2.693 1.00 0.00 O ATOM 159 CB LEU A 14 -4.013 8.279 1.479 1.00 0.00 C ATOM 160 CG LEU A 14 -2.976 7.390 0.793 1.00 0.00 C ATOM 161 CD1 LEU A 14 -3.628 6.551 -0.295 1.00 0.00 C ATOM 162 CD2 LEU A 14 -1.849 8.234 0.214 1.00 0.00 C ATOM 0 H LEU A 14 -5.635 9.369 3.040 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.809 7.123 1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.353 9.026 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.522 8.816 2.290 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.553 6.717 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.874 5.925 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.399 5.919 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.079 7.207 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.120 7.584 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.256 8.932 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.363 8.791 1.015 1.00 0.00 H new ATOM 174 N THR A 15 -4.220 6.827 4.122 1.00 0.00 N ATOM 175 CA THR A 15 -3.755 5.857 5.106 1.00 0.00 C ATOM 176 C THR A 15 -4.856 4.866 5.464 1.00 0.00 C ATOM 177 O THR A 15 -4.663 3.652 5.387 1.00 0.00 O ATOM 178 CB THR A 15 -3.267 6.552 6.392 1.00 0.00 C ATOM 179 OG1 THR A 15 -2.415 7.654 6.060 1.00 0.00 O ATOM 180 CG2 THR A 15 -2.516 5.574 7.283 1.00 0.00 C ATOM 0 H THR A 15 -4.062 7.801 4.382 1.00 0.00 H new ATOM 0 HA THR A 15 -2.921 5.321 4.652 1.00 0.00 H new ATOM 0 HB THR A 15 -4.139 6.918 6.935 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.962 8.440 5.854 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.181 6.087 8.185 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.176 4.751 7.557 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.652 5.182 6.746 1.00 0.00 H new ATOM 188 N LYS A 16 -6.013 5.389 5.856 1.00 0.00 N ATOM 189 CA LYS A 16 -7.147 4.551 6.225 1.00 0.00 C ATOM 190 C LYS A 16 -7.359 3.441 5.199 1.00 0.00 C ATOM 191 O LYS A 16 -7.287 2.258 5.529 1.00 0.00 O ATOM 192 CB LYS A 16 -8.416 5.398 6.346 1.00 0.00 C ATOM 193 CG LYS A 16 -9.651 4.593 6.712 1.00 0.00 C ATOM 194 CD LYS A 16 -10.703 5.462 7.382 1.00 0.00 C ATOM 195 CE LYS A 16 -11.636 6.095 6.360 1.00 0.00 C ATOM 196 NZ LYS A 16 -12.485 5.078 5.679 1.00 0.00 N ATOM 0 H LYS A 16 -6.190 6.391 5.926 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.930 4.093 7.190 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.258 6.169 7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.593 5.910 5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.070 4.139 5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.371 3.778 7.380 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.283 4.860 8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.214 6.244 7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.273 6.828 6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.048 6.634 5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.348 5.532 5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.957 4.659 4.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.743 4.332 6.356 1.00 0.00 H new ATOM 210 N GLN A 17 -7.620 3.833 3.956 1.00 0.00 N ATOM 211 CA GLN A 17 -7.841 2.870 2.883 1.00 0.00 C ATOM 212 C GLN A 17 -6.868 1.701 2.991 1.00 0.00 C ATOM 213 O GLN A 17 -7.278 0.542 3.035 1.00 0.00 O ATOM 214 CB GLN A 17 -7.692 3.550 1.521 1.00 0.00 C ATOM 215 CG GLN A 17 -8.213 2.713 0.364 1.00 0.00 C ATOM 216 CD GLN A 17 -7.905 3.330 -0.987 1.00 0.00 C ATOM 217 OE1 GLN A 17 -6.864 3.960 -1.171 1.00 0.00 O ATOM 218 NE2 GLN A 17 -8.812 3.150 -1.940 1.00 0.00 N ATOM 0 H GLN A 17 -7.684 4.809 3.667 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.856 2.483 2.979 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.224 4.501 1.539 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.640 3.776 1.350 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.773 1.717 0.413 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.291 2.590 0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.661 2.620 -1.742 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.660 3.541 -2.870 1.00 0.00 H new ATOM 227 N MET A 18 -5.577 2.015 3.032 1.00 0.00 N ATOM 228 CA MET A 18 -4.545 0.990 3.135 1.00 0.00 C ATOM 229 C MET A 18 -4.844 0.031 4.283 1.00 0.00 C ATOM 230 O MET A 18 -4.849 -1.186 4.102 1.00 0.00 O ATOM 231 CB MET A 18 -3.173 1.635 3.339 1.00 0.00 C ATOM 232 CG MET A 18 -2.525 2.106 2.047 1.00 0.00 C ATOM 233 SD MET A 18 -0.745 2.342 2.209 1.00 0.00 S ATOM 234 CE MET A 18 -0.567 4.016 1.598 1.00 0.00 C ATOM 0 H MET A 18 -5.221 2.970 2.995 1.00 0.00 H new ATOM 0 HA MET A 18 -4.537 0.424 2.204 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.277 2.484 4.015 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.513 0.918 3.827 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.721 1.378 1.260 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.985 3.044 1.735 1.00 0.00 H new ATOM 0 HE1 MET A 18 0.146 4.557 2.221 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.205 3.992 0.570 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.533 4.520 1.631 1.00 0.00 H new ATOM 244 N ASN A 19 -5.093 0.588 5.464 1.00 0.00 N ATOM 245 CA ASN A 19 -5.392 -0.219 6.641 1.00 0.00 C ATOM 246 C ASN A 19 -6.651 -1.054 6.424 1.00 0.00 C ATOM 247 O ASN A 19 -6.612 -2.282 6.487 1.00 0.00 O ATOM 248 CB ASN A 19 -5.568 0.678 7.868 1.00 0.00 C ATOM 249 CG ASN A 19 -4.258 0.938 8.586 1.00 0.00 C ATOM 250 OD1 ASN A 19 -3.539 1.967 8.151 1.00 0.00 O flip ATOM 251 ND2 ASN A 19 -3.896 0.224 9.521 1.00 0.00 N flip ATOM 0 H ASN A 19 -5.094 1.594 5.631 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.554 -0.895 6.809 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.006 1.628 7.561 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.271 0.212 8.558 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.480 -0.556 9.823 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -3.012 0.413 9.994 1.00 0.00 H new ATOM 258 N ALA A 20 -7.766 -0.377 6.166 1.00 0.00 N ATOM 259 CA ALA A 20 -9.035 -1.056 5.936 1.00 0.00 C ATOM 260 C ALA A 20 -8.826 -2.381 5.211 1.00 0.00 C ATOM 261 O ALA A 20 -9.418 -3.398 5.574 1.00 0.00 O ATOM 262 CB ALA A 20 -9.976 -0.161 5.143 1.00 0.00 C ATOM 0 H ALA A 20 -7.816 0.640 6.111 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.485 -1.270 6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.920 -0.681 4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.160 0.758 5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.523 0.082 4.182 1.00 0.00 H new ATOM 268 N ILE A 21 -7.980 -2.363 4.186 1.00 0.00 N ATOM 269 CA ILE A 21 -7.693 -3.563 3.411 1.00 0.00 C ATOM 270 C ILE A 21 -6.974 -4.606 4.260 1.00 0.00 C ATOM 271 O ILE A 21 -7.558 -5.622 4.640 1.00 0.00 O ATOM 272 CB ILE A 21 -6.833 -3.243 2.175 1.00 0.00 C ATOM 273 CG1 ILE A 21 -7.639 -2.423 1.165 1.00 0.00 C ATOM 274 CG2 ILE A 21 -6.324 -4.527 1.537 1.00 0.00 C ATOM 275 CD1 ILE A 21 -6.778 -1.631 0.205 1.00 0.00 C ATOM 0 H ILE A 21 -7.481 -1.530 3.873 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.652 -3.963 3.082 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.973 -2.652 2.491 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.282 -3.094 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.292 -1.737 1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.718 -4.284 0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.719 -5.076 2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.171 -5.142 1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.416 -1.074 -0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.154 -0.935 0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.143 -2.312 -0.361 1.00 0.00 H new ATOM 287 N ILE A 22 -5.705 -4.348 4.555 1.00 0.00 N ATOM 288 CA ILE A 22 -4.907 -5.263 5.362 1.00 0.00 C ATOM 289 C ILE A 22 -5.697 -5.768 6.565 1.00 0.00 C ATOM 290 O ILE A 22 -5.844 -6.974 6.763 1.00 0.00 O ATOM 291 CB ILE A 22 -3.612 -4.594 5.857 1.00 0.00 C ATOM 292 CG1 ILE A 22 -2.608 -4.463 4.710 1.00 0.00 C ATOM 293 CG2 ILE A 22 -3.010 -5.390 7.006 1.00 0.00 C ATOM 294 CD1 ILE A 22 -2.252 -5.784 4.064 1.00 0.00 C ATOM 0 H ILE A 22 -5.207 -3.513 4.247 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.649 -6.106 4.720 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.853 -3.595 6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.020 -3.797 3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.698 -3.995 5.086 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.095 -4.904 7.345 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.723 -5.436 7.829 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.781 -6.400 6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.536 -5.614 3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.811 -6.446 4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.152 -6.245 3.657 1.00 0.00 H new ATOM 306 N ASP A 23 -6.207 -4.837 7.363 1.00 0.00 N ATOM 307 CA ASP A 23 -6.986 -5.186 8.546 1.00 0.00 C ATOM 308 C ASP A 23 -7.876 -6.394 8.272 1.00 0.00 C ATOM 309 O ASP A 23 -7.884 -7.360 9.037 1.00 0.00 O ATOM 310 CB ASP A 23 -7.840 -3.998 8.990 1.00 0.00 C ATOM 311 CG ASP A 23 -8.755 -4.343 10.148 1.00 0.00 C ATOM 312 OD1 ASP A 23 -8.344 -5.149 11.009 1.00 0.00 O ATOM 313 OD2 ASP A 23 -9.881 -3.806 10.194 1.00 0.00 O ATOM 0 H ASP A 23 -6.095 -3.834 7.213 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.291 -5.442 9.346 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.188 -3.174 9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.439 -3.650 8.148 1.00 0.00 H new ATOM 318 N THR A 24 -8.627 -6.334 7.177 1.00 0.00 N ATOM 319 CA THR A 24 -9.523 -7.421 6.804 1.00 0.00 C ATOM 320 C THR A 24 -8.741 -8.675 6.432 1.00 0.00 C ATOM 321 O THR A 24 -8.909 -9.729 7.045 1.00 0.00 O ATOM 322 CB THR A 24 -10.426 -7.023 5.621 1.00 0.00 C ATOM 323 OG1 THR A 24 -11.293 -5.950 6.005 1.00 0.00 O ATOM 324 CG2 THR A 24 -11.257 -8.209 5.152 1.00 0.00 C ATOM 0 H THR A 24 -8.632 -5.543 6.533 1.00 0.00 H new ATOM 0 HA THR A 24 -10.146 -7.630 7.674 1.00 0.00 H new ATOM 0 HB THR A 24 -9.788 -6.698 4.799 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.813 -5.099 5.930 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.887 -7.904 4.316 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.595 -9.014 4.833 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.885 -8.559 5.971 1.00 0.00 H new ATOM 332 N VAL A 25 -7.884 -8.555 5.422 1.00 0.00 N ATOM 333 CA VAL A 25 -7.073 -9.679 4.970 1.00 0.00 C ATOM 334 C VAL A 25 -6.450 -10.417 6.149 1.00 0.00 C ATOM 335 O VAL A 25 -6.729 -11.595 6.374 1.00 0.00 O ATOM 336 CB VAL A 25 -5.954 -9.217 4.018 1.00 0.00 C ATOM 337 CG1 VAL A 25 -5.158 -10.409 3.510 1.00 0.00 C ATOM 338 CG2 VAL A 25 -6.536 -8.421 2.859 1.00 0.00 C ATOM 0 H VAL A 25 -7.734 -7.691 4.902 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.740 -10.355 4.434 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.276 -8.567 4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.372 -10.062 2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.709 -10.933 4.354 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.821 -11.087 2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.732 -8.102 2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.237 -9.045 2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.057 -7.545 3.245 1.00 0.00 H new ATOM 348 N ILE A 26 -5.605 -9.717 6.899 1.00 0.00 N ATOM 349 CA ILE A 26 -4.944 -10.306 8.056 1.00 0.00 C ATOM 350 C ILE A 26 -5.955 -10.948 9.000 1.00 0.00 C ATOM 351 O ILE A 26 -5.725 -12.037 9.524 1.00 0.00 O ATOM 352 CB ILE A 26 -4.129 -9.255 8.833 1.00 0.00 C ATOM 353 CG1 ILE A 26 -2.923 -8.801 8.008 1.00 0.00 C ATOM 354 CG2 ILE A 26 -3.679 -9.819 10.173 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.146 -7.670 8.645 1.00 0.00 C ATOM 0 H ILE A 26 -5.362 -8.742 6.726 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.268 -11.072 7.677 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.764 -8.389 9.020 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.256 -9.650 7.857 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.265 -8.486 7.022 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.104 -9.065 10.711 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.553 -10.098 10.762 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.057 -10.699 10.007 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.306 -7.400 8.005 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.798 -6.806 8.771 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.773 -7.988 9.619 1.00 0.00 H new ATOM 367 N ASN A 27 -7.076 -10.267 9.209 1.00 0.00 N ATOM 368 CA ASN A 27 -8.124 -10.771 10.089 1.00 0.00 C ATOM 369 C ASN A 27 -9.258 -11.395 9.281 1.00 0.00 C ATOM 370 O ASN A 27 -10.434 -11.129 9.534 1.00 0.00 O ATOM 371 CB ASN A 27 -8.669 -9.643 10.967 1.00 0.00 C ATOM 372 CG ASN A 27 -7.645 -9.144 11.969 1.00 0.00 C ATOM 373 OD1 ASN A 27 -7.083 -9.923 12.739 1.00 0.00 O ATOM 374 ND2 ASN A 27 -7.399 -7.839 11.962 1.00 0.00 N ATOM 0 H ASN A 27 -7.283 -9.364 8.781 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.689 -11.540 10.727 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.987 -8.815 10.334 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.553 -9.995 11.499 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.720 -7.445 12.613 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.889 -7.231 11.306 1.00 0.00 H new ATOM 381 N TYR A 28 -8.898 -12.227 8.310 1.00 0.00 N ATOM 382 CA TYR A 28 -9.885 -12.888 7.464 1.00 0.00 C ATOM 383 C TYR A 28 -10.055 -14.349 7.866 1.00 0.00 C ATOM 384 O TYR A 28 -9.139 -14.968 8.408 1.00 0.00 O ATOM 385 CB TYR A 28 -9.470 -12.796 5.995 1.00 0.00 C ATOM 386 CG TYR A 28 -10.194 -13.777 5.099 1.00 0.00 C ATOM 387 CD1 TYR A 28 -9.737 -15.081 4.952 1.00 0.00 C ATOM 388 CD2 TYR A 28 -11.335 -13.399 4.402 1.00 0.00 C ATOM 389 CE1 TYR A 28 -10.395 -15.979 4.134 1.00 0.00 C ATOM 390 CE2 TYR A 28 -12.000 -14.291 3.584 1.00 0.00 C ATOM 391 CZ TYR A 28 -11.526 -15.580 3.452 1.00 0.00 C ATOM 392 OH TYR A 28 -12.184 -16.473 2.638 1.00 0.00 O ATOM 0 H TYR A 28 -7.930 -12.460 8.089 1.00 0.00 H new ATOM 0 HA TYR A 28 -10.840 -12.380 7.597 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -9.656 -11.784 5.636 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.397 -12.970 5.918 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.853 -15.398 5.486 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -11.708 -12.390 4.502 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.026 -16.988 4.029 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -12.886 -13.981 3.050 1.00 0.00 H new ATOM 0 HH TYR A 28 -12.961 -16.035 2.232 1.00 0.00 H new ATOM 402 N LYS A 29 -11.236 -14.896 7.597 1.00 0.00 N ATOM 403 CA LYS A 29 -11.530 -16.286 7.927 1.00 0.00 C ATOM 404 C LYS A 29 -11.683 -17.125 6.663 1.00 0.00 C ATOM 405 O LYS A 29 -12.334 -16.707 5.705 1.00 0.00 O ATOM 406 CB LYS A 29 -12.805 -16.373 8.768 1.00 0.00 C ATOM 407 CG LYS A 29 -14.059 -15.961 8.016 1.00 0.00 C ATOM 408 CD LYS A 29 -15.296 -16.067 8.892 1.00 0.00 C ATOM 409 CE LYS A 29 -16.571 -15.932 8.075 1.00 0.00 C ATOM 410 NZ LYS A 29 -16.875 -17.174 7.312 1.00 0.00 N ATOM 0 H LYS A 29 -12.006 -14.397 7.151 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.694 -16.681 8.504 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.925 -17.396 9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.694 -15.739 9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.951 -14.936 7.661 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.180 -16.593 7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.295 -17.026 9.410 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.269 -15.291 9.657 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -17.404 -15.700 8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.472 -15.096 7.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.802 -17.079 6.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.142 -17.326 6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -16.894 -17.985 7.963 1.00 0.00 H new ATOM 424 N ASP A 30 -11.082 -18.309 6.668 1.00 0.00 N ATOM 425 CA ASP A 30 -11.154 -19.208 5.522 1.00 0.00 C ATOM 426 C ASP A 30 -12.304 -20.199 5.680 1.00 0.00 C ATOM 427 O ASP A 30 -13.127 -20.358 4.779 1.00 0.00 O ATOM 428 CB ASP A 30 -9.834 -19.963 5.354 1.00 0.00 C ATOM 429 CG ASP A 30 -9.340 -20.561 6.657 1.00 0.00 C ATOM 430 OD1 ASP A 30 -9.992 -21.498 7.165 1.00 0.00 O ATOM 431 OD2 ASP A 30 -8.301 -20.094 7.167 1.00 0.00 O ATOM 0 H ASP A 30 -10.539 -18.669 7.453 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.335 -18.607 4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.964 -20.757 4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.078 -19.284 4.959 1.00 0.00 H new ATOM 436 N SER A 31 -12.353 -20.862 6.831 1.00 0.00 N ATOM 437 CA SER A 31 -13.399 -21.840 7.105 1.00 0.00 C ATOM 438 C SER A 31 -14.047 -21.577 8.461 1.00 0.00 C ATOM 439 O SER A 31 -15.229 -21.243 8.542 1.00 0.00 O ATOM 440 CB SER A 31 -12.823 -23.257 7.069 1.00 0.00 C ATOM 441 OG SER A 31 -13.800 -24.214 7.439 1.00 0.00 O ATOM 0 H SER A 31 -11.681 -20.740 7.588 1.00 0.00 H new ATOM 0 HA SER A 31 -14.162 -21.745 6.333 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.454 -23.478 6.067 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.970 -23.324 7.744 1.00 0.00 H new ATOM 0 HG SER A 31 -13.408 -25.111 7.406 1.00 0.00 H new ATOM 447 N SER A 32 -13.264 -21.729 9.524 1.00 0.00 N ATOM 448 CA SER A 32 -13.761 -21.512 10.877 1.00 0.00 C ATOM 449 C SER A 32 -12.981 -20.400 11.571 1.00 0.00 C ATOM 450 O SER A 32 -12.224 -20.648 12.508 1.00 0.00 O ATOM 451 CB SER A 32 -13.663 -22.803 11.693 1.00 0.00 C ATOM 452 OG SER A 32 -14.408 -23.846 11.088 1.00 0.00 O ATOM 0 H SER A 32 -12.282 -22.002 9.474 1.00 0.00 H new ATOM 0 HA SER A 32 -14.807 -21.211 10.809 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.619 -23.102 11.782 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.032 -22.627 12.704 1.00 0.00 H new ATOM 0 HG SER A 32 -14.328 -24.660 11.627 1.00 0.00 H new ATOM 458 N GLY A 33 -13.173 -19.170 11.102 1.00 0.00 N ATOM 459 CA GLY A 33 -12.481 -18.037 11.687 1.00 0.00 C ATOM 460 C GLY A 33 -10.986 -18.263 11.796 1.00 0.00 C ATOM 461 O GLY A 33 -10.339 -17.750 12.709 1.00 0.00 O ATOM 0 H GLY A 33 -13.795 -18.939 10.328 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.668 -17.150 11.082 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.888 -17.839 12.678 1.00 0.00 H new ATOM 465 N ARG A 34 -10.436 -19.033 10.863 1.00 0.00 N ATOM 466 CA ARG A 34 -9.009 -19.328 10.859 1.00 0.00 C ATOM 467 C ARG A 34 -8.213 -18.157 10.290 1.00 0.00 C ATOM 468 O ARG A 34 -8.535 -17.637 9.223 1.00 0.00 O ATOM 469 CB ARG A 34 -8.730 -20.592 10.045 1.00 0.00 C ATOM 470 CG ARG A 34 -8.791 -21.871 10.864 1.00 0.00 C ATOM 471 CD ARG A 34 -7.477 -22.136 11.582 1.00 0.00 C ATOM 472 NE ARG A 34 -7.425 -23.481 12.150 1.00 0.00 N ATOM 473 CZ ARG A 34 -6.295 -24.096 12.479 1.00 0.00 C ATOM 474 NH1 ARG A 34 -5.129 -23.491 12.298 1.00 0.00 N ATOM 475 NH2 ARG A 34 -6.329 -25.320 12.990 1.00 0.00 N ATOM 0 H ARG A 34 -10.958 -19.464 10.100 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.695 -19.492 11.890 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -9.453 -20.657 9.232 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.743 -20.510 9.589 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.597 -21.799 11.594 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.026 -22.712 10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.650 -22.005 10.884 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.343 -21.402 12.376 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.305 -23.975 12.302 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.098 -22.550 11.905 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.263 -23.966 12.552 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.224 -25.789 13.130 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.460 -25.792 13.242 1.00 0.00 H new ATOM 489 N GLN A 35 -7.173 -17.749 11.011 1.00 0.00 N ATOM 490 CA GLN A 35 -6.332 -16.639 10.578 1.00 0.00 C ATOM 491 C GLN A 35 -5.156 -17.140 9.745 1.00 0.00 C ATOM 492 O GLN A 35 -4.196 -17.697 10.280 1.00 0.00 O ATOM 493 CB GLN A 35 -5.820 -15.857 11.788 1.00 0.00 C ATOM 494 CG GLN A 35 -4.908 -14.698 11.422 1.00 0.00 C ATOM 495 CD GLN A 35 -4.510 -13.865 12.625 1.00 0.00 C ATOM 496 OE1 GLN A 35 -4.693 -14.281 13.769 1.00 0.00 O ATOM 497 NE2 GLN A 35 -3.963 -12.682 12.371 1.00 0.00 N ATOM 0 H GLN A 35 -6.893 -18.170 11.897 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.937 -15.978 9.958 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.672 -15.474 12.350 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.282 -16.537 12.448 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.010 -15.085 10.940 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.411 -14.061 10.694 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.830 -12.378 11.406 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.675 -12.077 13.140 1.00 0.00 H new ATOM 506 N LEU A 36 -5.237 -16.938 8.435 1.00 0.00 N ATOM 507 CA LEU A 36 -4.179 -17.369 7.528 1.00 0.00 C ATOM 508 C LEU A 36 -2.902 -16.569 7.761 1.00 0.00 C ATOM 509 O LEU A 36 -1.811 -17.132 7.845 1.00 0.00 O ATOM 510 CB LEU A 36 -4.632 -17.216 6.075 1.00 0.00 C ATOM 511 CG LEU A 36 -6.044 -17.710 5.756 1.00 0.00 C ATOM 512 CD1 LEU A 36 -6.647 -16.904 4.616 1.00 0.00 C ATOM 513 CD2 LEU A 36 -6.026 -19.192 5.413 1.00 0.00 C ATOM 0 H LEU A 36 -6.024 -16.479 7.977 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.969 -18.420 7.728 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.568 -16.162 5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.929 -17.752 5.438 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.665 -17.570 6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.651 -17.270 4.403 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.696 -15.853 4.900 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.026 -17.011 3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.039 -19.526 5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.389 -19.357 4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.637 -19.757 6.260 1.00 0.00 H new ATOM 525 N SER A 37 -3.047 -15.252 7.868 1.00 0.00 N ATOM 526 CA SER A 37 -1.904 -14.373 8.091 1.00 0.00 C ATOM 527 C SER A 37 -0.955 -14.968 9.126 1.00 0.00 C ATOM 528 O SER A 37 0.235 -14.655 9.144 1.00 0.00 O ATOM 529 CB SER A 37 -2.378 -12.992 8.550 1.00 0.00 C ATOM 530 OG SER A 37 -3.438 -13.102 9.484 1.00 0.00 O ATOM 0 H SER A 37 -3.944 -14.770 7.804 1.00 0.00 H new ATOM 0 HA SER A 37 -1.367 -14.270 7.148 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.547 -12.450 9.001 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.707 -12.412 7.688 1.00 0.00 H new ATOM 0 HG SER A 37 -4.287 -12.889 9.042 1.00 0.00 H new ATOM 536 N GLU A 38 -1.491 -15.828 9.986 1.00 0.00 N ATOM 537 CA GLU A 38 -0.692 -16.466 11.025 1.00 0.00 C ATOM 538 C GLU A 38 0.712 -16.782 10.516 1.00 0.00 C ATOM 539 O GLU A 38 1.690 -16.161 10.933 1.00 0.00 O ATOM 540 CB GLU A 38 -1.372 -17.749 11.507 1.00 0.00 C ATOM 541 CG GLU A 38 -2.345 -17.529 12.653 1.00 0.00 C ATOM 542 CD GLU A 38 -3.137 -18.777 12.993 1.00 0.00 C ATOM 543 OE1 GLU A 38 -3.684 -19.404 12.062 1.00 0.00 O ATOM 544 OE2 GLU A 38 -3.211 -19.125 14.190 1.00 0.00 O ATOM 0 H GLU A 38 -2.474 -16.099 9.984 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.609 -15.771 11.861 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.905 -18.204 10.672 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.607 -18.459 11.822 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.794 -17.201 13.535 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.034 -16.726 12.391 1.00 0.00 H new ATOM 551 N VAL A 39 0.802 -17.751 9.611 1.00 0.00 N ATOM 552 CA VAL A 39 2.085 -18.150 9.043 1.00 0.00 C ATOM 553 C VAL A 39 2.721 -17.004 8.265 1.00 0.00 C ATOM 554 O VAL A 39 3.910 -17.039 7.948 1.00 0.00 O ATOM 555 CB VAL A 39 1.932 -19.367 8.111 1.00 0.00 C ATOM 556 CG1 VAL A 39 0.957 -20.373 8.703 1.00 0.00 C ATOM 557 CG2 VAL A 39 1.480 -18.924 6.728 1.00 0.00 C ATOM 0 H VAL A 39 0.002 -18.274 9.255 1.00 0.00 H new ATOM 0 HA VAL A 39 2.731 -18.421 9.878 1.00 0.00 H new ATOM 0 HB VAL A 39 2.903 -19.853 8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.861 -21.226 8.031 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.327 -20.713 9.670 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.018 -19.902 8.833 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.377 -19.796 6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.520 -18.414 6.805 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.219 -18.244 6.304 1.00 0.00 H new ATOM 567 N PHE A 40 1.921 -15.988 7.959 1.00 0.00 N ATOM 568 CA PHE A 40 2.406 -14.830 7.216 1.00 0.00 C ATOM 569 C PHE A 40 2.609 -13.635 8.144 1.00 0.00 C ATOM 570 O PHE A 40 2.648 -12.489 7.696 1.00 0.00 O ATOM 571 CB PHE A 40 1.423 -14.464 6.102 1.00 0.00 C ATOM 572 CG PHE A 40 1.046 -15.627 5.229 1.00 0.00 C ATOM 573 CD1 PHE A 40 1.910 -16.078 4.244 1.00 0.00 C ATOM 574 CD2 PHE A 40 -0.171 -16.267 5.393 1.00 0.00 C ATOM 575 CE1 PHE A 40 1.567 -17.148 3.439 1.00 0.00 C ATOM 576 CE2 PHE A 40 -0.520 -17.338 4.591 1.00 0.00 C ATOM 577 CZ PHE A 40 0.350 -17.778 3.612 1.00 0.00 C ATOM 0 H PHE A 40 0.934 -15.943 8.214 1.00 0.00 H new ATOM 0 HA PHE A 40 3.367 -15.090 6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.520 -14.047 6.548 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.863 -13.683 5.482 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.862 -15.588 4.104 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.855 -15.926 6.156 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.250 -17.491 2.676 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.471 -17.830 4.730 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.079 -18.613 2.983 1.00 0.00 H new ATOM 587 N ILE A 41 2.737 -13.913 9.437 1.00 0.00 N ATOM 588 CA ILE A 41 2.936 -12.862 10.427 1.00 0.00 C ATOM 589 C ILE A 41 4.411 -12.493 10.547 1.00 0.00 C ATOM 590 O ILE A 41 4.817 -11.391 10.176 1.00 0.00 O ATOM 591 CB ILE A 41 2.411 -13.286 11.811 1.00 0.00 C ATOM 592 CG1 ILE A 41 0.884 -13.383 11.793 1.00 0.00 C ATOM 593 CG2 ILE A 41 2.871 -12.302 12.876 1.00 0.00 C ATOM 594 CD1 ILE A 41 0.212 -12.222 11.095 1.00 0.00 C ATOM 0 H ILE A 41 2.706 -14.857 9.823 1.00 0.00 H new ATOM 0 HA ILE A 41 2.373 -11.994 10.084 1.00 0.00 H new ATOM 0 HB ILE A 41 2.817 -14.269 12.052 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.593 -14.310 11.300 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.520 -13.440 12.819 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.492 -12.615 13.849 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.960 -12.277 12.902 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.491 -11.308 12.641 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.869 -12.358 11.121 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.473 -11.293 11.601 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.547 -12.177 10.059 1.00 0.00 H new ATOM 606 N GLN A 42 5.208 -13.422 11.065 1.00 0.00 N ATOM 607 CA GLN A 42 6.638 -13.194 11.233 1.00 0.00 C ATOM 608 C GLN A 42 7.449 -14.201 10.424 1.00 0.00 C ATOM 609 O GLN A 42 7.036 -15.349 10.250 1.00 0.00 O ATOM 610 CB GLN A 42 7.021 -13.283 12.711 1.00 0.00 C ATOM 611 CG GLN A 42 8.256 -12.472 13.070 1.00 0.00 C ATOM 612 CD GLN A 42 9.545 -13.221 12.797 1.00 0.00 C ATOM 613 OE1 GLN A 42 9.670 -14.404 13.119 1.00 0.00 O ATOM 614 NE2 GLN A 42 10.514 -12.536 12.201 1.00 0.00 N ATOM 0 H GLN A 42 4.888 -14.339 11.375 1.00 0.00 H new ATOM 0 HA GLN A 42 6.865 -12.193 10.866 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.182 -12.939 13.316 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.194 -14.327 12.970 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.253 -11.542 12.502 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.214 -12.201 14.125 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.368 -11.558 11.952 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.404 -12.988 11.993 1.00 0.00 H new ATOM 623 N LEU A 43 8.603 -13.765 9.931 1.00 0.00 N ATOM 624 CA LEU A 43 9.472 -14.629 9.140 1.00 0.00 C ATOM 625 C LEU A 43 10.594 -15.205 9.997 1.00 0.00 C ATOM 626 O LEU A 43 10.974 -14.644 11.025 1.00 0.00 O ATOM 627 CB LEU A 43 10.062 -13.851 7.962 1.00 0.00 C ATOM 628 CG LEU A 43 9.133 -13.635 6.767 1.00 0.00 C ATOM 629 CD1 LEU A 43 9.924 -13.176 5.552 1.00 0.00 C ATOM 630 CD2 LEU A 43 8.361 -14.909 6.454 1.00 0.00 C ATOM 0 H LEU A 43 8.959 -12.818 10.065 1.00 0.00 H new ATOM 0 HA LEU A 43 8.872 -15.455 8.758 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.388 -12.876 8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.952 -14.376 7.615 1.00 0.00 H new ATOM 0 HG LEU A 43 8.417 -12.855 7.024 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.246 -13.027 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.430 -12.238 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.664 -13.933 5.292 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.705 -14.737 5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.061 -15.710 6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.763 -15.194 7.320 1.00 0.00 H new ATOM 642 N PRO A 44 11.140 -16.352 9.565 1.00 0.00 N ATOM 643 CA PRO A 44 12.229 -17.027 10.277 1.00 0.00 C ATOM 644 C PRO A 44 13.542 -16.256 10.194 1.00 0.00 C ATOM 645 O PRO A 44 13.809 -15.569 9.208 1.00 0.00 O ATOM 646 CB PRO A 44 12.350 -18.369 9.549 1.00 0.00 C ATOM 647 CG PRO A 44 11.819 -18.107 8.182 1.00 0.00 C ATOM 648 CD PRO A 44 10.737 -17.076 8.348 1.00 0.00 C ATOM 0 HA PRO A 44 12.022 -17.121 11.343 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.385 -18.708 9.513 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.777 -19.147 10.054 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.606 -17.744 7.521 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.423 -19.019 7.736 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.679 -16.412 7.486 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.756 -17.538 8.461 1.00 0.00 H new ATOM 656 N SER A 45 14.359 -16.375 11.236 1.00 0.00 N ATOM 657 CA SER A 45 15.644 -15.686 11.282 1.00 0.00 C ATOM 658 C SER A 45 16.598 -16.244 10.230 1.00 0.00 C ATOM 659 O SER A 45 16.926 -17.430 10.241 1.00 0.00 O ATOM 660 CB SER A 45 16.267 -15.818 12.673 1.00 0.00 C ATOM 661 OG SER A 45 17.329 -14.895 12.845 1.00 0.00 O ATOM 0 H SER A 45 14.154 -16.942 12.059 1.00 0.00 H new ATOM 0 HA SER A 45 15.471 -14.631 11.067 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.505 -15.647 13.434 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.637 -16.834 12.815 1.00 0.00 H new ATOM 0 HG SER A 45 17.710 -14.998 13.742 1.00 0.00 H new ATOM 667 N ARG A 46 17.038 -15.379 9.322 1.00 0.00 N ATOM 668 CA ARG A 46 17.953 -15.785 8.262 1.00 0.00 C ATOM 669 C ARG A 46 19.036 -16.713 8.804 1.00 0.00 C ATOM 670 O ARG A 46 19.374 -17.721 8.182 1.00 0.00 O ATOM 671 CB ARG A 46 18.596 -14.556 7.616 1.00 0.00 C ATOM 672 CG ARG A 46 19.171 -14.824 6.235 1.00 0.00 C ATOM 673 CD ARG A 46 20.571 -15.411 6.319 1.00 0.00 C ATOM 674 NE ARG A 46 21.590 -14.376 6.470 1.00 0.00 N ATOM 675 CZ ARG A 46 22.805 -14.606 6.956 1.00 0.00 C ATOM 676 NH1 ARG A 46 23.150 -15.828 7.336 1.00 0.00 N ATOM 677 NH2 ARG A 46 23.677 -13.612 7.063 1.00 0.00 N ATOM 0 H ARG A 46 16.776 -14.394 9.299 1.00 0.00 H new ATOM 0 HA ARG A 46 17.380 -16.325 7.509 1.00 0.00 H new ATOM 0 HB2 ARG A 46 17.851 -13.763 7.543 1.00 0.00 H new ATOM 0 HB3 ARG A 46 19.390 -14.188 8.266 1.00 0.00 H new ATOM 0 HG2 ARG A 46 18.519 -15.511 5.695 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.198 -13.896 5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 46 20.626 -16.099 7.162 1.00 0.00 H new ATOM 0 HD3 ARG A 46 20.775 -15.992 5.420 1.00 0.00 H new ATOM 0 HE ARG A 46 21.356 -13.424 6.187 1.00 0.00 H new ATOM 0 HH11 ARG A 46 22.482 -16.595 7.256 1.00 0.00 H new ATOM 0 HH12 ARG A 46 24.083 -16.002 7.709 1.00 0.00 H new ATOM 0 HH21 ARG A 46 23.415 -12.670 6.772 1.00 0.00 H new ATOM 0 HH22 ARG A 46 24.609 -13.790 7.436 1.00 0.00 H new ATOM 691 N LYS A 47 19.578 -16.366 9.966 1.00 0.00 N ATOM 692 CA LYS A 47 20.622 -17.167 10.594 1.00 0.00 C ATOM 693 C LYS A 47 20.211 -18.633 10.670 1.00 0.00 C ATOM 694 O LYS A 47 20.973 -19.521 10.291 1.00 0.00 O ATOM 695 CB LYS A 47 20.926 -16.637 11.997 1.00 0.00 C ATOM 696 CG LYS A 47 22.059 -17.372 12.692 1.00 0.00 C ATOM 697 CD LYS A 47 22.325 -16.805 14.077 1.00 0.00 C ATOM 698 CE LYS A 47 22.989 -15.438 14.001 1.00 0.00 C ATOM 699 NZ LYS A 47 23.130 -14.815 15.346 1.00 0.00 N ATOM 0 H LYS A 47 19.311 -15.534 10.493 1.00 0.00 H new ATOM 0 HA LYS A 47 21.521 -17.092 9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.178 -15.579 11.930 1.00 0.00 H new ATOM 0 HB3 LYS A 47 20.026 -16.713 12.608 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.812 -18.431 12.773 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.964 -17.301 12.089 1.00 0.00 H new ATOM 0 HD2 LYS A 47 21.386 -16.725 14.625 1.00 0.00 H new ATOM 0 HD3 LYS A 47 22.963 -17.490 14.636 1.00 0.00 H new ATOM 0 HE2 LYS A 47 23.972 -15.537 13.542 1.00 0.00 H new ATOM 0 HE3 LYS A 47 22.401 -14.784 13.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 23.587 -13.885 15.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 22.190 -14.697 15.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 23.712 -15.427 15.953 1.00 0.00 H new ATOM 713 N GLU A 48 19.001 -18.879 11.163 1.00 0.00 N ATOM 714 CA GLU A 48 18.489 -20.239 11.288 1.00 0.00 C ATOM 715 C GLU A 48 18.112 -20.806 9.922 1.00 0.00 C ATOM 716 O GLU A 48 18.443 -21.948 9.599 1.00 0.00 O ATOM 717 CB GLU A 48 17.274 -20.267 12.217 1.00 0.00 C ATOM 718 CG GLU A 48 17.537 -19.655 13.583 1.00 0.00 C ATOM 719 CD GLU A 48 18.316 -20.581 14.496 1.00 0.00 C ATOM 720 OE1 GLU A 48 18.216 -21.813 14.316 1.00 0.00 O ATOM 721 OE2 GLU A 48 19.025 -20.075 15.391 1.00 0.00 O ATOM 0 H GLU A 48 18.357 -18.155 11.482 1.00 0.00 H new ATOM 0 HA GLU A 48 19.278 -20.859 11.715 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.451 -19.733 11.741 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.951 -21.300 12.347 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.089 -18.723 13.459 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.587 -19.402 14.053 1.00 0.00 H new ATOM 728 N LEU A 49 17.418 -20.001 9.125 1.00 0.00 N ATOM 729 CA LEU A 49 16.995 -20.422 7.794 1.00 0.00 C ATOM 730 C LEU A 49 17.419 -19.403 6.741 1.00 0.00 C ATOM 731 O LEU A 49 16.612 -18.618 6.241 1.00 0.00 O ATOM 732 CB LEU A 49 15.478 -20.612 7.756 1.00 0.00 C ATOM 733 CG LEU A 49 14.895 -21.095 6.427 1.00 0.00 C ATOM 734 CD1 LEU A 49 15.562 -22.390 5.991 1.00 0.00 C ATOM 735 CD2 LEU A 49 13.389 -21.281 6.542 1.00 0.00 C ATOM 0 H LEU A 49 17.136 -19.054 9.377 1.00 0.00 H new ATOM 0 HA LEU A 49 17.479 -21.372 7.569 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.202 -21.326 8.532 1.00 0.00 H new ATOM 0 HB3 LEU A 49 15.007 -19.664 8.013 1.00 0.00 H new ATOM 0 HG LEU A 49 15.091 -20.337 5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 49 15.134 -22.718 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.632 -22.225 5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.398 -23.157 6.748 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.991 -21.625 5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.171 -22.020 7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.924 -20.332 6.808 1.00 0.00 H new ATOM 747 N PRO A 50 18.714 -19.415 6.392 1.00 0.00 N ATOM 748 CA PRO A 50 19.273 -18.500 5.392 1.00 0.00 C ATOM 749 C PRO A 50 18.789 -18.817 3.981 1.00 0.00 C ATOM 750 O PRO A 50 18.464 -17.915 3.211 1.00 0.00 O ATOM 751 CB PRO A 50 20.782 -18.732 5.505 1.00 0.00 C ATOM 752 CG PRO A 50 20.914 -20.116 6.041 1.00 0.00 C ATOM 753 CD PRO A 50 19.732 -20.324 6.946 1.00 0.00 C ATOM 0 HA PRO A 50 18.972 -17.468 5.570 1.00 0.00 H new ATOM 0 HB2 PRO A 50 21.271 -18.635 4.536 1.00 0.00 H new ATOM 0 HB3 PRO A 50 21.246 -18.004 6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 50 20.921 -20.848 5.234 1.00 0.00 H new ATOM 0 HG3 PRO A 50 21.850 -20.235 6.587 1.00 0.00 H new ATOM 0 HD2 PRO A 50 19.394 -21.360 6.934 1.00 0.00 H new ATOM 0 HD3 PRO A 50 19.970 -20.078 7.981 1.00 0.00 H new ATOM 761 N GLU A 51 18.744 -20.104 3.651 1.00 0.00 N ATOM 762 CA GLU A 51 18.300 -20.538 2.332 1.00 0.00 C ATOM 763 C GLU A 51 17.013 -19.823 1.929 1.00 0.00 C ATOM 764 O GLU A 51 16.870 -19.374 0.791 1.00 0.00 O ATOM 765 CB GLU A 51 18.082 -22.052 2.315 1.00 0.00 C ATOM 766 CG GLU A 51 17.345 -22.575 3.537 1.00 0.00 C ATOM 767 CD GLU A 51 16.968 -24.038 3.410 1.00 0.00 C ATOM 768 OE1 GLU A 51 16.277 -24.391 2.432 1.00 0.00 O ATOM 769 OE2 GLU A 51 17.366 -24.831 4.290 1.00 0.00 O ATOM 0 H GLU A 51 19.009 -20.863 4.278 1.00 0.00 H new ATOM 0 HA GLU A 51 19.078 -20.283 1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.520 -22.320 1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.049 -22.549 2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.971 -22.440 4.419 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.443 -21.984 3.693 1.00 0.00 H new ATOM 776 N TYR A 52 16.080 -19.724 2.868 1.00 0.00 N ATOM 777 CA TYR A 52 14.803 -19.067 2.611 1.00 0.00 C ATOM 778 C TYR A 52 15.014 -17.694 1.980 1.00 0.00 C ATOM 779 O TYR A 52 14.237 -17.265 1.127 1.00 0.00 O ATOM 780 CB TYR A 52 14.008 -18.926 3.910 1.00 0.00 C ATOM 781 CG TYR A 52 12.785 -18.046 3.779 1.00 0.00 C ATOM 782 CD1 TYR A 52 11.588 -18.555 3.292 1.00 0.00 C ATOM 783 CD2 TYR A 52 12.828 -16.706 4.143 1.00 0.00 C ATOM 784 CE1 TYR A 52 10.468 -17.754 3.170 1.00 0.00 C ATOM 785 CE2 TYR A 52 11.713 -15.898 4.026 1.00 0.00 C ATOM 786 CZ TYR A 52 10.536 -16.427 3.538 1.00 0.00 C ATOM 787 OH TYR A 52 9.423 -15.626 3.420 1.00 0.00 O ATOM 0 H TYR A 52 16.183 -20.090 3.814 1.00 0.00 H new ATOM 0 HA TYR A 52 14.239 -19.685 1.913 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.699 -19.916 4.246 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.659 -18.516 4.682 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.531 -19.594 3.004 1.00 0.00 H new ATOM 0 HD2 TYR A 52 13.748 -16.289 4.524 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.545 -18.165 2.789 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.763 -14.859 4.315 1.00 0.00 H new ATOM 0 HH TYR A 52 8.615 -16.169 3.535 1.00 0.00 H new ATOM 797 N TYR A 53 16.071 -17.011 2.405 1.00 0.00 N ATOM 798 CA TYR A 53 16.385 -15.686 1.883 1.00 0.00 C ATOM 799 C TYR A 53 17.119 -15.786 0.550 1.00 0.00 C ATOM 800 O TYR A 53 17.139 -14.836 -0.232 1.00 0.00 O ATOM 801 CB TYR A 53 17.235 -14.908 2.889 1.00 0.00 C ATOM 802 CG TYR A 53 16.462 -14.440 4.101 1.00 0.00 C ATOM 803 CD1 TYR A 53 16.060 -15.337 5.082 1.00 0.00 C ATOM 804 CD2 TYR A 53 16.134 -13.099 4.265 1.00 0.00 C ATOM 805 CE1 TYR A 53 15.352 -14.914 6.191 1.00 0.00 C ATOM 806 CE2 TYR A 53 15.428 -12.667 5.371 1.00 0.00 C ATOM 807 CZ TYR A 53 15.039 -13.578 6.331 1.00 0.00 C ATOM 808 OH TYR A 53 14.336 -13.152 7.434 1.00 0.00 O ATOM 0 H TYR A 53 16.725 -17.353 3.109 1.00 0.00 H new ATOM 0 HA TYR A 53 15.447 -15.155 1.721 1.00 0.00 H new ATOM 0 HB2 TYR A 53 18.062 -15.538 3.217 1.00 0.00 H new ATOM 0 HB3 TYR A 53 17.672 -14.043 2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 53 16.305 -16.384 4.976 1.00 0.00 H new ATOM 0 HD2 TYR A 53 16.436 -12.383 3.515 1.00 0.00 H new ATOM 0 HE1 TYR A 53 15.046 -15.625 6.944 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.182 -11.621 5.483 1.00 0.00 H new ATOM 0 HH TYR A 53 14.154 -13.916 8.021 1.00 0.00 H new ATOM 818 N GLU A 54 17.721 -16.944 0.298 1.00 0.00 N ATOM 819 CA GLU A 54 18.457 -17.168 -0.941 1.00 0.00 C ATOM 820 C GLU A 54 17.506 -17.243 -2.133 1.00 0.00 C ATOM 821 O GLU A 54 17.647 -16.496 -3.102 1.00 0.00 O ATOM 822 CB GLU A 54 19.277 -18.457 -0.848 1.00 0.00 C ATOM 823 CG GLU A 54 20.452 -18.362 0.110 1.00 0.00 C ATOM 824 CD GLU A 54 21.603 -19.267 -0.286 1.00 0.00 C ATOM 825 OE1 GLU A 54 21.339 -20.360 -0.829 1.00 0.00 O ATOM 826 OE2 GLU A 54 22.768 -18.881 -0.054 1.00 0.00 O ATOM 0 H GLU A 54 17.714 -17.741 0.935 1.00 0.00 H new ATOM 0 HA GLU A 54 19.133 -16.326 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.625 -19.271 -0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.648 -18.714 -1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.802 -17.331 0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.119 -18.623 1.115 1.00 0.00 H new ATOM 833 N LEU A 55 16.538 -18.149 -2.054 1.00 0.00 N ATOM 834 CA LEU A 55 15.564 -18.323 -3.125 1.00 0.00 C ATOM 835 C LEU A 55 14.588 -17.151 -3.168 1.00 0.00 C ATOM 836 O LEU A 55 14.229 -16.669 -4.243 1.00 0.00 O ATOM 837 CB LEU A 55 14.797 -19.633 -2.936 1.00 0.00 C ATOM 838 CG LEU A 55 14.655 -20.126 -1.496 1.00 0.00 C ATOM 839 CD1 LEU A 55 13.335 -20.859 -1.311 1.00 0.00 C ATOM 840 CD2 LEU A 55 15.824 -21.025 -1.121 1.00 0.00 C ATOM 0 H LEU A 55 16.407 -18.775 -1.259 1.00 0.00 H new ATOM 0 HA LEU A 55 16.104 -18.358 -4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 55 13.799 -19.510 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.295 -20.409 -3.517 1.00 0.00 H new ATOM 0 HG LEU A 55 14.663 -19.260 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.251 -21.203 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.509 -20.184 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.297 -21.716 -1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.705 -21.366 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.849 -21.886 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.756 -20.467 -1.213 1.00 0.00 H new ATOM 852 N ILE A 56 14.164 -16.697 -1.994 1.00 0.00 N ATOM 853 CA ILE A 56 13.232 -15.580 -1.898 1.00 0.00 C ATOM 854 C ILE A 56 13.928 -14.257 -2.197 1.00 0.00 C ATOM 855 O ILE A 56 15.021 -13.992 -1.696 1.00 0.00 O ATOM 856 CB ILE A 56 12.586 -15.504 -0.502 1.00 0.00 C ATOM 857 CG1 ILE A 56 11.736 -16.749 -0.241 1.00 0.00 C ATOM 858 CG2 ILE A 56 11.743 -14.244 -0.377 1.00 0.00 C ATOM 859 CD1 ILE A 56 10.863 -17.141 -1.413 1.00 0.00 C ATOM 0 H ILE A 56 14.451 -17.085 -1.096 1.00 0.00 H new ATOM 0 HA ILE A 56 12.453 -15.754 -2.640 1.00 0.00 H new ATOM 0 HB ILE A 56 13.377 -15.464 0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 56 12.393 -17.582 0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.104 -16.572 0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.293 -14.204 0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 56 12.374 -13.368 -0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.957 -14.256 -1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.289 -18.031 -1.157 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.181 -16.324 -1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 56 11.490 -17.350 -2.280 1.00 0.00 H new ATOM 871 N ARG A 57 13.287 -13.429 -3.015 1.00 0.00 N ATOM 872 CA ARG A 57 13.844 -12.132 -3.380 1.00 0.00 C ATOM 873 C ARG A 57 13.587 -11.102 -2.284 1.00 0.00 C ATOM 874 O ARG A 57 14.521 -10.508 -1.743 1.00 0.00 O ATOM 875 CB ARG A 57 13.242 -11.648 -4.700 1.00 0.00 C ATOM 876 CG ARG A 57 13.217 -12.713 -5.785 1.00 0.00 C ATOM 877 CD ARG A 57 14.615 -13.015 -6.302 1.00 0.00 C ATOM 878 NE ARG A 57 14.603 -13.433 -7.701 1.00 0.00 N ATOM 879 CZ ARG A 57 15.676 -13.414 -8.483 1.00 0.00 C ATOM 880 NH1 ARG A 57 16.841 -12.999 -8.006 1.00 0.00 N ATOM 881 NH2 ARG A 57 15.585 -13.811 -9.746 1.00 0.00 N ATOM 0 H ARG A 57 12.381 -13.633 -3.438 1.00 0.00 H new ATOM 0 HA ARG A 57 14.921 -12.248 -3.500 1.00 0.00 H new ATOM 0 HB2 ARG A 57 12.225 -11.301 -4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 57 13.813 -10.791 -5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 57 12.769 -13.625 -5.391 1.00 0.00 H new ATOM 0 HG3 ARG A 57 12.587 -12.379 -6.610 1.00 0.00 H new ATOM 0 HD2 ARG A 57 15.241 -12.129 -6.194 1.00 0.00 H new ATOM 0 HD3 ARG A 57 15.065 -13.799 -5.693 1.00 0.00 H new ATOM 0 HE ARG A 57 13.722 -13.757 -8.100 1.00 0.00 H new ATOM 0 HH11 ARG A 57 16.915 -12.693 -7.036 1.00 0.00 H new ATOM 0 HH12 ARG A 57 17.663 -12.986 -8.609 1.00 0.00 H new ATOM 0 HH21 ARG A 57 14.690 -14.131 -10.117 1.00 0.00 H new ATOM 0 HH22 ARG A 57 16.410 -13.796 -10.346 1.00 0.00 H new ATOM 895 N LYS A 58 12.315 -10.894 -1.961 1.00 0.00 N ATOM 896 CA LYS A 58 11.934 -9.937 -0.929 1.00 0.00 C ATOM 897 C LYS A 58 11.017 -10.586 0.103 1.00 0.00 C ATOM 898 O LYS A 58 9.792 -10.529 0.003 1.00 0.00 O ATOM 899 CB LYS A 58 11.236 -8.729 -1.558 1.00 0.00 C ATOM 900 CG LYS A 58 11.731 -8.400 -2.956 1.00 0.00 C ATOM 901 CD LYS A 58 10.980 -7.221 -3.551 1.00 0.00 C ATOM 902 CE LYS A 58 10.913 -7.311 -5.068 1.00 0.00 C ATOM 903 NZ LYS A 58 10.166 -6.167 -5.660 1.00 0.00 N ATOM 0 H LYS A 58 11.530 -11.376 -2.399 1.00 0.00 H new ATOM 0 HA LYS A 58 12.841 -9.604 -0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.163 -8.919 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.383 -7.860 -0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.797 -8.174 -2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.611 -9.271 -3.600 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.970 -7.188 -3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.471 -6.292 -3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.924 -7.334 -5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.432 -8.246 -5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.143 -6.266 -6.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.194 -6.159 -5.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.639 -5.276 -5.408 1.00 0.00 H new ATOM 917 N PRO A 59 11.623 -11.216 1.120 1.00 0.00 N ATOM 918 CA PRO A 59 10.880 -11.885 2.192 1.00 0.00 C ATOM 919 C PRO A 59 10.161 -10.897 3.104 1.00 0.00 C ATOM 920 O PRO A 59 10.710 -10.455 4.113 1.00 0.00 O ATOM 921 CB PRO A 59 11.969 -12.632 2.966 1.00 0.00 C ATOM 922 CG PRO A 59 13.218 -11.864 2.699 1.00 0.00 C ATOM 923 CD PRO A 59 13.081 -11.323 1.303 1.00 0.00 C ATOM 0 HA PRO A 59 10.095 -12.533 1.801 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.745 -12.665 4.032 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.059 -13.664 2.627 1.00 0.00 H new ATOM 0 HG2 PRO A 59 13.341 -11.056 3.420 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.096 -12.504 2.785 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.571 -10.355 1.197 1.00 0.00 H new ATOM 0 HD3 PRO A 59 13.530 -11.990 0.568 1.00 0.00 H new ATOM 931 N VAL A 60 8.928 -10.555 2.743 1.00 0.00 N ATOM 932 CA VAL A 60 8.133 -9.620 3.529 1.00 0.00 C ATOM 933 C VAL A 60 6.979 -10.331 4.226 1.00 0.00 C ATOM 934 O VAL A 60 6.624 -11.455 3.871 1.00 0.00 O ATOM 935 CB VAL A 60 7.569 -8.487 2.652 1.00 0.00 C ATOM 936 CG1 VAL A 60 6.549 -9.033 1.665 1.00 0.00 C ATOM 937 CG2 VAL A 60 6.953 -7.398 3.519 1.00 0.00 C ATOM 0 H VAL A 60 8.458 -10.912 1.911 1.00 0.00 H new ATOM 0 HA VAL A 60 8.798 -9.192 4.279 1.00 0.00 H new ATOM 0 HB VAL A 60 8.390 -8.048 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.161 -8.218 1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.025 -9.774 1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.729 -9.499 2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.559 -6.605 2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.144 -7.821 4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.714 -6.987 4.182 1.00 0.00 H new ATOM 947 N ASP A 61 6.396 -9.669 5.219 1.00 0.00 N ATOM 948 CA ASP A 61 5.279 -10.237 5.966 1.00 0.00 C ATOM 949 C ASP A 61 4.262 -9.159 6.327 1.00 0.00 C ATOM 950 O ASP A 61 4.409 -7.998 5.941 1.00 0.00 O ATOM 951 CB ASP A 61 5.784 -10.924 7.236 1.00 0.00 C ATOM 952 CG ASP A 61 6.113 -12.387 7.011 1.00 0.00 C ATOM 953 OD1 ASP A 61 6.126 -12.818 5.839 1.00 0.00 O ATOM 954 OD2 ASP A 61 6.356 -13.101 8.007 1.00 0.00 O ATOM 0 H ASP A 61 6.678 -8.738 5.526 1.00 0.00 H new ATOM 0 HA ASP A 61 4.789 -10.976 5.332 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.673 -10.406 7.597 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.027 -10.841 8.016 1.00 0.00 H new ATOM 959 N PHE A 62 3.231 -9.550 7.067 1.00 0.00 N ATOM 960 CA PHE A 62 2.187 -8.617 7.478 1.00 0.00 C ATOM 961 C PHE A 62 2.712 -7.643 8.529 1.00 0.00 C ATOM 962 O PHE A 62 2.118 -6.592 8.769 1.00 0.00 O ATOM 963 CB PHE A 62 0.981 -9.379 8.030 1.00 0.00 C ATOM 964 CG PHE A 62 0.078 -9.926 6.962 1.00 0.00 C ATOM 965 CD1 PHE A 62 -0.582 -9.075 6.091 1.00 0.00 C ATOM 966 CD2 PHE A 62 -0.111 -11.293 6.828 1.00 0.00 C ATOM 967 CE1 PHE A 62 -1.415 -9.575 5.108 1.00 0.00 C ATOM 968 CE2 PHE A 62 -0.942 -11.799 5.847 1.00 0.00 C ATOM 969 CZ PHE A 62 -1.594 -10.939 4.985 1.00 0.00 C ATOM 0 H PHE A 62 3.095 -10.506 7.395 1.00 0.00 H new ATOM 0 HA PHE A 62 1.878 -8.047 6.602 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.334 -10.201 8.652 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.406 -8.715 8.676 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.444 -8.008 6.181 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.397 -11.970 7.498 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.925 -8.900 4.437 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.082 -12.866 5.754 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.243 -11.332 4.216 1.00 0.00 H new ATOM 979 N LYS A 63 3.829 -8.000 9.153 1.00 0.00 N ATOM 980 CA LYS A 63 4.436 -7.159 10.178 1.00 0.00 C ATOM 981 C LYS A 63 5.203 -6.001 9.548 1.00 0.00 C ATOM 982 O LYS A 63 5.339 -4.934 10.147 1.00 0.00 O ATOM 983 CB LYS A 63 5.375 -7.989 11.057 1.00 0.00 C ATOM 984 CG LYS A 63 4.668 -8.704 12.196 1.00 0.00 C ATOM 985 CD LYS A 63 5.531 -9.810 12.780 1.00 0.00 C ATOM 986 CE LYS A 63 6.731 -9.247 13.525 1.00 0.00 C ATOM 987 NZ LYS A 63 6.408 -8.938 14.945 1.00 0.00 N ATOM 0 H LYS A 63 4.333 -8.867 8.967 1.00 0.00 H new ATOM 0 HA LYS A 63 3.637 -6.749 10.796 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.883 -8.727 10.436 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.144 -7.336 11.470 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.416 -7.986 12.977 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.729 -9.125 11.836 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.934 -10.419 13.458 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.873 -10.466 11.980 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.551 -9.964 13.487 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.076 -8.342 13.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.252 -8.557 15.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.643 -8.235 14.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.103 -9.807 15.429 1.00 0.00 H new ATOM 1001 N LYS A 64 5.701 -6.218 8.336 1.00 0.00 N ATOM 1002 CA LYS A 64 6.453 -5.192 7.622 1.00 0.00 C ATOM 1003 C LYS A 64 5.520 -4.306 6.803 1.00 0.00 C ATOM 1004 O LYS A 64 5.665 -3.083 6.788 1.00 0.00 O ATOM 1005 CB LYS A 64 7.495 -5.838 6.706 1.00 0.00 C ATOM 1006 CG LYS A 64 8.854 -6.014 7.360 1.00 0.00 C ATOM 1007 CD LYS A 64 8.820 -7.083 8.439 1.00 0.00 C ATOM 1008 CE LYS A 64 8.448 -6.498 9.793 1.00 0.00 C ATOM 1009 NZ LYS A 64 9.524 -5.623 10.333 1.00 0.00 N ATOM 0 H LYS A 64 5.598 -7.096 7.827 1.00 0.00 H new ATOM 0 HA LYS A 64 6.962 -4.571 8.359 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.128 -6.812 6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.608 -5.227 5.811 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.591 -6.283 6.603 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.175 -5.067 7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.101 -7.855 8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.795 -7.565 8.506 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.526 -5.924 9.700 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.250 -7.307 10.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.632 -5.794 11.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.420 -5.836 9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.273 -4.626 10.174 1.00 0.00 H new ATOM 1023 N ILE A 65 4.563 -4.930 6.124 1.00 0.00 N ATOM 1024 CA ILE A 65 3.606 -4.197 5.305 1.00 0.00 C ATOM 1025 C ILE A 65 2.941 -3.081 6.103 1.00 0.00 C ATOM 1026 O ILE A 65 2.921 -1.925 5.678 1.00 0.00 O ATOM 1027 CB ILE A 65 2.517 -5.129 4.741 1.00 0.00 C ATOM 1028 CG1 ILE A 65 3.128 -6.124 3.753 1.00 0.00 C ATOM 1029 CG2 ILE A 65 1.419 -4.316 4.072 1.00 0.00 C ATOM 1030 CD1 ILE A 65 2.149 -7.167 3.262 1.00 0.00 C ATOM 0 H ILE A 65 4.430 -5.941 6.125 1.00 0.00 H new ATOM 0 HA ILE A 65 4.166 -3.764 4.477 1.00 0.00 H new ATOM 0 HB ILE A 65 2.076 -5.689 5.566 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.523 -5.577 2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.971 -6.625 4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.657 -4.988 3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.968 -3.644 4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.844 -3.732 3.256 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.651 -7.838 2.565 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.772 -7.740 4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.317 -6.676 2.757 1.00 0.00 H new ATOM 1042 N LYS A 66 2.398 -3.433 7.263 1.00 0.00 N ATOM 1043 CA LYS A 66 1.734 -2.462 8.124 1.00 0.00 C ATOM 1044 C LYS A 66 2.698 -1.356 8.541 1.00 0.00 C ATOM 1045 O LYS A 66 2.430 -0.174 8.328 1.00 0.00 O ATOM 1046 CB LYS A 66 1.167 -3.154 9.366 1.00 0.00 C ATOM 1047 CG LYS A 66 -0.243 -3.685 9.176 1.00 0.00 C ATOM 1048 CD LYS A 66 -1.004 -3.730 10.490 1.00 0.00 C ATOM 1049 CE LYS A 66 -2.503 -3.586 10.272 1.00 0.00 C ATOM 1050 NZ LYS A 66 -3.244 -3.495 11.560 1.00 0.00 N ATOM 0 H LYS A 66 2.405 -4.385 7.629 1.00 0.00 H new ATOM 0 HA LYS A 66 0.916 -2.014 7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.823 -3.979 9.643 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.172 -2.450 10.198 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.778 -3.054 8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.201 -4.685 8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.798 -4.672 10.999 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.652 -2.931 11.143 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.699 -2.695 9.676 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.871 -4.439 9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.262 -3.398 11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.077 -4.357 12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.911 -2.667 12.094 1.00 0.00 H new ATOM 1064 N GLU A 67 3.821 -1.749 9.134 1.00 0.00 N ATOM 1065 CA GLU A 67 4.824 -0.789 9.580 1.00 0.00 C ATOM 1066 C GLU A 67 4.957 0.361 8.586 1.00 0.00 C ATOM 1067 O GLU A 67 4.848 1.530 8.955 1.00 0.00 O ATOM 1068 CB GLU A 67 6.178 -1.480 9.761 1.00 0.00 C ATOM 1069 CG GLU A 67 6.370 -2.090 11.139 1.00 0.00 C ATOM 1070 CD GLU A 67 7.351 -3.247 11.133 1.00 0.00 C ATOM 1071 OE1 GLU A 67 8.130 -3.359 10.164 1.00 0.00 O ATOM 1072 OE2 GLU A 67 7.338 -4.039 12.098 1.00 0.00 O ATOM 0 H GLU A 67 4.059 -2.724 9.316 1.00 0.00 H new ATOM 0 HA GLU A 67 4.500 -0.382 10.538 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.281 -2.262 9.009 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.973 -0.757 9.579 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.724 -1.322 11.826 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.408 -2.436 11.516 1.00 0.00 H new ATOM 1079 N ARG A 68 5.193 0.019 7.323 1.00 0.00 N ATOM 1080 CA ARG A 68 5.342 1.022 6.276 1.00 0.00 C ATOM 1081 C ARG A 68 4.185 2.017 6.306 1.00 0.00 C ATOM 1082 O ARG A 68 4.396 3.230 6.284 1.00 0.00 O ATOM 1083 CB ARG A 68 5.416 0.350 4.903 1.00 0.00 C ATOM 1084 CG ARG A 68 6.682 -0.463 4.690 1.00 0.00 C ATOM 1085 CD ARG A 68 6.756 -1.019 3.276 1.00 0.00 C ATOM 1086 NE ARG A 68 7.267 -0.033 2.327 1.00 0.00 N ATOM 1087 CZ ARG A 68 8.504 0.450 2.364 1.00 0.00 C ATOM 1088 NH1 ARG A 68 9.351 0.040 3.298 1.00 0.00 N ATOM 1089 NH2 ARG A 68 8.895 1.344 1.465 1.00 0.00 N ATOM 0 H ARG A 68 5.285 -0.944 7.001 1.00 0.00 H new ATOM 0 HA ARG A 68 6.269 1.565 6.458 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.551 -0.302 4.780 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.351 1.115 4.129 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.554 0.162 4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.714 -1.283 5.407 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.399 -1.899 3.266 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.764 -1.345 2.962 1.00 0.00 H new ATOM 0 HE ARG A 68 6.640 0.303 1.596 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.053 -0.648 3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.300 0.412 3.324 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.246 1.661 0.745 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.845 1.715 1.494 1.00 0.00 H new ATOM 1103 N ILE A 69 2.965 1.494 6.355 1.00 0.00 N ATOM 1104 CA ILE A 69 1.775 2.336 6.389 1.00 0.00 C ATOM 1105 C ILE A 69 1.881 3.394 7.483 1.00 0.00 C ATOM 1106 O ILE A 69 1.949 4.590 7.199 1.00 0.00 O ATOM 1107 CB ILE A 69 0.501 1.502 6.619 1.00 0.00 C ATOM 1108 CG1 ILE A 69 0.189 0.657 5.382 1.00 0.00 C ATOM 1109 CG2 ILE A 69 -0.672 2.409 6.958 1.00 0.00 C ATOM 1110 CD1 ILE A 69 -0.855 -0.411 5.628 1.00 0.00 C ATOM 0 H ILE A 69 2.774 0.492 6.372 1.00 0.00 H new ATOM 0 HA ILE A 69 1.708 2.826 5.418 1.00 0.00 H new ATOM 0 HB ILE A 69 0.670 0.831 7.461 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.155 1.312 4.581 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.107 0.183 5.034 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.565 1.805 7.118 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.447 2.971 7.865 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.846 3.102 6.135 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.026 -0.971 4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.505 -1.089 6.406 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.786 0.057 5.946 1.00 0.00 H new ATOM 1122 N ARG A 70 1.895 2.944 8.733 1.00 0.00 N ATOM 1123 CA ARG A 70 1.993 3.852 9.870 1.00 0.00 C ATOM 1124 C ARG A 70 3.303 4.635 9.829 1.00 0.00 C ATOM 1125 O ARG A 70 3.479 5.606 10.563 1.00 0.00 O ATOM 1126 CB ARG A 70 1.894 3.072 11.183 1.00 0.00 C ATOM 1127 CG ARG A 70 2.864 1.905 11.273 1.00 0.00 C ATOM 1128 CD ARG A 70 4.182 2.324 11.906 1.00 0.00 C ATOM 1129 NE ARG A 70 4.872 1.199 12.530 1.00 0.00 N ATOM 1130 CZ ARG A 70 4.536 0.695 13.712 1.00 0.00 C ATOM 1131 NH1 ARG A 70 3.526 1.214 14.395 1.00 0.00 N ATOM 1132 NH2 ARG A 70 5.213 -0.331 14.214 1.00 0.00 N ATOM 0 H ARG A 70 1.840 1.957 8.984 1.00 0.00 H new ATOM 0 HA ARG A 70 1.165 4.558 9.811 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.079 3.752 12.015 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.877 2.698 11.298 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.416 1.103 11.859 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.049 1.506 10.276 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.825 2.766 11.145 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.996 3.095 12.654 1.00 0.00 H new ATOM 0 HE ARG A 70 5.655 0.777 12.031 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.004 2.003 14.013 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.270 0.825 15.302 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.992 -0.733 13.692 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.954 -0.717 15.122 1.00 0.00 H new ATOM 1146 N ASN A 71 4.217 4.204 8.967 1.00 0.00 N ATOM 1147 CA ASN A 71 5.511 4.863 8.831 1.00 0.00 C ATOM 1148 C ASN A 71 5.459 5.946 7.757 1.00 0.00 C ATOM 1149 O ASN A 71 6.461 6.603 7.474 1.00 0.00 O ATOM 1150 CB ASN A 71 6.595 3.840 8.488 1.00 0.00 C ATOM 1151 CG ASN A 71 7.186 3.188 9.723 1.00 0.00 C ATOM 1152 OD1 ASN A 71 7.291 1.864 9.700 1.00 0.00 O flip ATOM 1153 ND2 ASN A 71 7.543 3.866 10.686 1.00 0.00 N flip ATOM 0 H ASN A 71 4.086 3.401 8.352 1.00 0.00 H new ATOM 0 HA ASN A 71 5.754 5.332 9.784 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.173 3.071 7.841 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.389 4.331 7.924 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.444 4.881 10.660 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.938 3.413 11.510 1.00 0.00 H new ATOM 1160 N HIS A 72 4.284 6.125 7.161 1.00 0.00 N ATOM 1161 CA HIS A 72 4.101 7.129 6.118 1.00 0.00 C ATOM 1162 C HIS A 72 5.085 6.908 4.973 1.00 0.00 C ATOM 1163 O HIS A 72 5.592 7.862 4.383 1.00 0.00 O ATOM 1164 CB HIS A 72 4.281 8.533 6.696 1.00 0.00 C ATOM 1165 CG HIS A 72 3.273 8.881 7.748 1.00 0.00 C ATOM 1166 ND1 HIS A 72 1.922 8.982 7.492 1.00 0.00 N ATOM 1167 CD2 HIS A 72 3.427 9.151 9.066 1.00 0.00 C ATOM 1168 CE1 HIS A 72 1.288 9.300 8.607 1.00 0.00 C ATOM 1169 NE2 HIS A 72 2.178 9.408 9.576 1.00 0.00 N ATOM 0 H HIS A 72 3.445 5.589 7.382 1.00 0.00 H new ATOM 0 HA HIS A 72 3.088 7.032 5.727 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.281 8.617 7.121 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.216 9.261 5.887 1.00 0.00 H new ATOM 0 HD2 HIS A 72 4.358 9.162 9.614 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.223 9.447 8.708 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.971 9.644 10.547 1.00 0.00 H new ATOM 1178 N LYS A 73 5.350 5.643 4.663 1.00 0.00 N ATOM 1179 CA LYS A 73 6.272 5.295 3.589 1.00 0.00 C ATOM 1180 C LYS A 73 5.521 5.066 2.281 1.00 0.00 C ATOM 1181 O LYS A 73 5.882 5.618 1.241 1.00 0.00 O ATOM 1182 CB LYS A 73 7.069 4.042 3.958 1.00 0.00 C ATOM 1183 CG LYS A 73 7.794 4.153 5.288 1.00 0.00 C ATOM 1184 CD LYS A 73 9.186 4.737 5.117 1.00 0.00 C ATOM 1185 CE LYS A 73 9.176 6.251 5.254 1.00 0.00 C ATOM 1186 NZ LYS A 73 9.396 6.682 6.662 1.00 0.00 N ATOM 0 H LYS A 73 4.939 4.841 5.141 1.00 0.00 H new ATOM 0 HA LYS A 73 6.961 6.128 3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.392 3.188 3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.797 3.840 3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.216 4.780 5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.866 3.167 5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.856 4.308 5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.579 4.462 4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.951 6.678 4.618 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.222 6.641 4.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.828 7.628 6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.485 6.713 7.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.029 6.007 7.137 1.00 0.00 H new ATOM 1200 N TYR A 74 4.475 4.250 2.340 1.00 0.00 N ATOM 1201 CA TYR A 74 3.674 3.947 1.160 1.00 0.00 C ATOM 1202 C TYR A 74 3.264 5.227 0.437 1.00 0.00 C ATOM 1203 O TYR A 74 2.563 6.071 0.995 1.00 0.00 O ATOM 1204 CB TYR A 74 2.429 3.149 1.553 1.00 0.00 C ATOM 1205 CG TYR A 74 2.665 1.658 1.627 1.00 0.00 C ATOM 1206 CD1 TYR A 74 3.347 0.991 0.617 1.00 0.00 C ATOM 1207 CD2 TYR A 74 2.206 0.915 2.708 1.00 0.00 C ATOM 1208 CE1 TYR A 74 3.564 -0.372 0.680 1.00 0.00 C ATOM 1209 CE2 TYR A 74 2.420 -0.448 2.781 1.00 0.00 C ATOM 1210 CZ TYR A 74 3.098 -1.087 1.764 1.00 0.00 C ATOM 1211 OH TYR A 74 3.314 -2.444 1.831 1.00 0.00 O ATOM 0 H TYR A 74 4.162 3.786 3.193 1.00 0.00 H new ATOM 0 HA TYR A 74 4.283 3.347 0.483 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.073 3.501 2.521 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.637 3.348 0.831 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.714 1.548 -0.232 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.673 1.412 3.505 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.095 -0.875 -0.115 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.058 -1.010 3.630 1.00 0.00 H new ATOM 0 HH TYR A 74 3.836 -2.653 2.634 1.00 0.00 H new ATOM 1221 N ARG A 75 3.705 5.362 -0.809 1.00 0.00 N ATOM 1222 CA ARG A 75 3.385 6.538 -1.610 1.00 0.00 C ATOM 1223 C ARG A 75 1.937 6.493 -2.087 1.00 0.00 C ATOM 1224 O ARG A 75 1.257 7.518 -2.137 1.00 0.00 O ATOM 1225 CB ARG A 75 4.327 6.634 -2.812 1.00 0.00 C ATOM 1226 CG ARG A 75 5.714 7.146 -2.459 1.00 0.00 C ATOM 1227 CD ARG A 75 5.778 8.665 -2.516 1.00 0.00 C ATOM 1228 NE ARG A 75 5.356 9.278 -1.260 1.00 0.00 N ATOM 1229 CZ ARG A 75 6.160 9.442 -0.216 1.00 0.00 C ATOM 1230 NH1 ARG A 75 7.422 9.040 -0.277 1.00 0.00 N ATOM 1231 NH2 ARG A 75 5.703 10.008 0.894 1.00 0.00 N ATOM 0 H ARG A 75 4.285 4.672 -1.286 1.00 0.00 H new ATOM 0 HA ARG A 75 3.515 7.420 -0.983 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.418 5.650 -3.271 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.884 7.294 -3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.985 6.807 -1.459 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.445 6.724 -3.148 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.797 8.976 -2.747 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.143 9.024 -3.326 1.00 0.00 H new ATOM 0 HE ARG A 75 4.391 9.598 -1.180 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.778 8.603 -1.127 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.037 9.167 0.527 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.733 10.318 0.946 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.322 10.133 1.695 1.00 0.00 H new ATOM 1245 N SER A 76 1.471 5.298 -2.437 1.00 0.00 N ATOM 1246 CA SER A 76 0.105 5.120 -2.915 1.00 0.00 C ATOM 1247 C SER A 76 -0.401 3.715 -2.602 1.00 0.00 C ATOM 1248 O SER A 76 0.357 2.856 -2.150 1.00 0.00 O ATOM 1249 CB SER A 76 0.031 5.378 -4.421 1.00 0.00 C ATOM 1250 OG SER A 76 -1.249 5.857 -4.794 1.00 0.00 O ATOM 0 H SER A 76 2.020 4.439 -2.398 1.00 0.00 H new ATOM 0 HA SER A 76 -0.531 5.840 -2.399 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.792 6.104 -4.706 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.250 4.457 -4.962 1.00 0.00 H new ATOM 0 HG SER A 76 -1.270 6.016 -5.761 1.00 0.00 H new ATOM 1256 N LEU A 77 -1.687 3.489 -2.845 1.00 0.00 N ATOM 1257 CA LEU A 77 -2.297 2.189 -2.590 1.00 0.00 C ATOM 1258 C LEU A 77 -1.674 1.112 -3.473 1.00 0.00 C ATOM 1259 O LEU A 77 -1.546 -0.041 -3.066 1.00 0.00 O ATOM 1260 CB LEU A 77 -3.806 2.254 -2.835 1.00 0.00 C ATOM 1261 CG LEU A 77 -4.570 0.940 -2.668 1.00 0.00 C ATOM 1262 CD1 LEU A 77 -4.663 0.559 -1.199 1.00 0.00 C ATOM 1263 CD2 LEU A 77 -5.959 1.050 -3.281 1.00 0.00 C ATOM 0 H LEU A 77 -2.328 4.189 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.115 1.929 -1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.233 2.989 -2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.974 2.623 -3.847 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.024 0.155 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.210 -0.379 -1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.660 0.439 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.186 1.344 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.489 0.106 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.513 1.847 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.871 1.276 -4.344 1.00 0.00 H new ATOM 1275 N GLY A 78 -1.285 1.499 -4.685 1.00 0.00 N ATOM 1276 CA GLY A 78 -0.678 0.556 -5.605 1.00 0.00 C ATOM 1277 C GLY A 78 0.544 -0.122 -5.018 1.00 0.00 C ATOM 1278 O GLY A 78 0.715 -1.334 -5.155 1.00 0.00 O ATOM 0 H GLY A 78 -1.380 2.449 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.412 -0.201 -5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.396 1.076 -6.520 1.00 0.00 H new ATOM 1282 N ASP A 79 1.396 0.660 -4.364 1.00 0.00 N ATOM 1283 CA ASP A 79 2.609 0.127 -3.754 1.00 0.00 C ATOM 1284 C ASP A 79 2.281 -1.024 -2.808 1.00 0.00 C ATOM 1285 O ASP A 79 2.966 -2.048 -2.798 1.00 0.00 O ATOM 1286 CB ASP A 79 3.351 1.230 -2.998 1.00 0.00 C ATOM 1287 CG ASP A 79 4.333 1.977 -3.880 1.00 0.00 C ATOM 1288 OD1 ASP A 79 3.896 2.890 -4.611 1.00 0.00 O ATOM 1289 OD2 ASP A 79 5.537 1.648 -3.840 1.00 0.00 O ATOM 0 H ASP A 79 1.269 1.665 -4.243 1.00 0.00 H new ATOM 0 HA ASP A 79 3.250 -0.253 -4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.628 1.934 -2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.885 0.792 -2.154 1.00 0.00 H new ATOM 1294 N LEU A 80 1.231 -0.848 -2.013 1.00 0.00 N ATOM 1295 CA LEU A 80 0.813 -1.872 -1.061 1.00 0.00 C ATOM 1296 C LEU A 80 0.568 -3.203 -1.766 1.00 0.00 C ATOM 1297 O LEU A 80 1.071 -4.242 -1.340 1.00 0.00 O ATOM 1298 CB LEU A 80 -0.455 -1.428 -0.330 1.00 0.00 C ATOM 1299 CG LEU A 80 -0.956 -2.362 0.772 1.00 0.00 C ATOM 1300 CD1 LEU A 80 0.034 -2.405 1.926 1.00 0.00 C ATOM 1301 CD2 LEU A 80 -2.329 -1.923 1.261 1.00 0.00 C ATOM 0 H LEU A 80 0.654 -0.007 -2.009 1.00 0.00 H new ATOM 0 HA LEU A 80 1.615 -2.009 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.273 -0.447 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.251 -1.306 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.044 -3.366 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.339 -3.075 2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.997 -2.768 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.155 -1.404 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.669 -2.599 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.267 -0.910 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.035 -1.945 0.431 1.00 0.00 H new ATOM 1313 N GLU A 81 -0.206 -3.161 -2.846 1.00 0.00 N ATOM 1314 CA GLU A 81 -0.515 -4.364 -3.609 1.00 0.00 C ATOM 1315 C GLU A 81 0.751 -5.163 -3.903 1.00 0.00 C ATOM 1316 O GLU A 81 0.838 -6.350 -3.589 1.00 0.00 O ATOM 1317 CB GLU A 81 -1.216 -3.998 -4.919 1.00 0.00 C ATOM 1318 CG GLU A 81 -1.401 -5.176 -5.861 1.00 0.00 C ATOM 1319 CD GLU A 81 -2.438 -6.164 -5.363 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -2.258 -6.703 -4.251 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -3.429 -6.397 -6.085 1.00 0.00 O ATOM 0 H GLU A 81 -0.630 -2.308 -3.212 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.182 -4.982 -3.008 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.192 -3.569 -4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.639 -3.225 -5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.698 -4.808 -6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.447 -5.689 -5.987 1.00 0.00 H new ATOM 1328 N LYS A 82 1.733 -4.503 -4.509 1.00 0.00 N ATOM 1329 CA LYS A 82 2.996 -5.149 -4.846 1.00 0.00 C ATOM 1330 C LYS A 82 3.499 -5.999 -3.684 1.00 0.00 C ATOM 1331 O LYS A 82 3.774 -7.188 -3.845 1.00 0.00 O ATOM 1332 CB LYS A 82 4.046 -4.099 -5.217 1.00 0.00 C ATOM 1333 CG LYS A 82 3.637 -3.214 -6.381 1.00 0.00 C ATOM 1334 CD LYS A 82 4.091 -3.796 -7.710 1.00 0.00 C ATOM 1335 CE LYS A 82 3.020 -4.684 -8.325 1.00 0.00 C ATOM 1336 NZ LYS A 82 3.610 -5.777 -9.145 1.00 0.00 N ATOM 0 H LYS A 82 1.678 -3.520 -4.777 1.00 0.00 H new ATOM 0 HA LYS A 82 2.825 -5.801 -5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.244 -3.472 -4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.980 -4.603 -5.466 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.554 -3.095 -6.386 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.066 -2.220 -6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.334 -2.987 -8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.004 -4.374 -7.563 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.407 -5.114 -7.533 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.360 -4.079 -8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.848 -6.360 -9.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.175 -5.367 -9.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.220 -6.370 -8.546 1.00 0.00 H new ATOM 1350 N ASP A 83 3.617 -5.382 -2.513 1.00 0.00 N ATOM 1351 CA ASP A 83 4.085 -6.082 -1.323 1.00 0.00 C ATOM 1352 C ASP A 83 3.137 -7.220 -0.954 1.00 0.00 C ATOM 1353 O ASP A 83 3.556 -8.367 -0.805 1.00 0.00 O ATOM 1354 CB ASP A 83 4.215 -5.109 -0.150 1.00 0.00 C ATOM 1355 CG ASP A 83 5.377 -4.151 -0.319 1.00 0.00 C ATOM 1356 OD1 ASP A 83 5.676 -3.779 -1.473 1.00 0.00 O ATOM 1357 OD2 ASP A 83 5.988 -3.773 0.702 1.00 0.00 O ATOM 0 H ASP A 83 3.395 -4.398 -2.363 1.00 0.00 H new ATOM 0 HA ASP A 83 5.065 -6.506 -1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 83 3.291 -4.540 -0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 83 4.344 -5.673 0.774 1.00 0.00 H new ATOM 1362 N VAL A 84 1.857 -6.892 -0.807 1.00 0.00 N ATOM 1363 CA VAL A 84 0.850 -7.886 -0.455 1.00 0.00 C ATOM 1364 C VAL A 84 0.996 -9.142 -1.306 1.00 0.00 C ATOM 1365 O VAL A 84 1.112 -10.249 -0.781 1.00 0.00 O ATOM 1366 CB VAL A 84 -0.575 -7.326 -0.627 1.00 0.00 C ATOM 1367 CG1 VAL A 84 -1.610 -8.402 -0.340 1.00 0.00 C ATOM 1368 CG2 VAL A 84 -0.785 -6.118 0.274 1.00 0.00 C ATOM 0 H VAL A 84 1.493 -5.947 -0.926 1.00 0.00 H new ATOM 0 HA VAL A 84 1.009 -8.140 0.593 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.698 -7.005 -1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.610 -7.988 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.472 -9.234 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.491 -8.757 0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.797 -5.735 0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.643 -6.411 1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.066 -5.341 0.014 1.00 0.00 H new ATOM 1378 N MET A 85 0.991 -8.962 -2.623 1.00 0.00 N ATOM 1379 CA MET A 85 1.125 -10.082 -3.547 1.00 0.00 C ATOM 1380 C MET A 85 2.449 -10.809 -3.332 1.00 0.00 C ATOM 1381 O MET A 85 2.554 -12.012 -3.573 1.00 0.00 O ATOM 1382 CB MET A 85 1.029 -9.592 -4.993 1.00 0.00 C ATOM 1383 CG MET A 85 -0.318 -8.977 -5.338 1.00 0.00 C ATOM 1384 SD MET A 85 -1.679 -10.149 -5.173 1.00 0.00 S ATOM 1385 CE MET A 85 -2.393 -9.621 -3.618 1.00 0.00 C ATOM 0 H MET A 85 0.896 -8.052 -3.074 1.00 0.00 H new ATOM 0 HA MET A 85 0.311 -10.780 -3.352 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.812 -8.855 -5.171 1.00 0.00 H new ATOM 0 HB3 MET A 85 1.220 -10.429 -5.665 1.00 0.00 H new ATOM 0 HG2 MET A 85 -0.500 -8.121 -4.688 1.00 0.00 H new ATOM 0 HG3 MET A 85 -0.290 -8.600 -6.360 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.488 -10.478 -2.952 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.748 -8.873 -3.157 1.00 0.00 H new ATOM 0 HE3 MET A 85 -3.378 -9.190 -3.798 1.00 0.00 H new ATOM 1395 N LEU A 86 3.456 -10.072 -2.877 1.00 0.00 N ATOM 1396 CA LEU A 86 4.774 -10.648 -2.629 1.00 0.00 C ATOM 1397 C LEU A 86 4.728 -11.631 -1.464 1.00 0.00 C ATOM 1398 O LEU A 86 5.125 -12.789 -1.598 1.00 0.00 O ATOM 1399 CB LEU A 86 5.788 -9.541 -2.338 1.00 0.00 C ATOM 1400 CG LEU A 86 7.257 -9.899 -2.567 1.00 0.00 C ATOM 1401 CD1 LEU A 86 7.613 -11.185 -1.837 1.00 0.00 C ATOM 1402 CD2 LEU A 86 7.548 -10.031 -4.055 1.00 0.00 C ATOM 0 H LEU A 86 3.386 -9.075 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 86 5.082 -11.189 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.544 -8.680 -2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.668 -9.230 -1.300 1.00 0.00 H new ATOM 0 HG LEU A 86 7.874 -9.095 -2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.662 -11.424 -2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.443 -11.056 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.989 -11.998 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.598 -10.286 -4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.922 -10.816 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.333 -9.086 -4.553 1.00 0.00 H new ATOM 1414 N LEU A 87 4.240 -11.162 -0.320 1.00 0.00 N ATOM 1415 CA LEU A 87 4.140 -12.001 0.869 1.00 0.00 C ATOM 1416 C LEU A 87 3.532 -13.358 0.530 1.00 0.00 C ATOM 1417 O LEU A 87 3.938 -14.385 1.074 1.00 0.00 O ATOM 1418 CB LEU A 87 3.297 -11.304 1.939 1.00 0.00 C ATOM 1419 CG LEU A 87 2.725 -12.205 3.034 1.00 0.00 C ATOM 1420 CD1 LEU A 87 2.578 -11.433 4.337 1.00 0.00 C ATOM 1421 CD2 LEU A 87 1.387 -12.786 2.602 1.00 0.00 C ATOM 0 H LEU A 87 3.908 -10.206 -0.191 1.00 0.00 H new ATOM 0 HA LEU A 87 5.146 -12.162 1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.909 -10.535 2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.469 -10.794 1.446 1.00 0.00 H new ATOM 0 HG LEU A 87 3.419 -13.029 3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.170 -12.090 5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.554 -11.066 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.905 -10.589 4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.995 -13.425 3.394 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.684 -11.976 2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.522 -13.375 1.695 1.00 0.00 H new ATOM 1433 N CYS A 88 2.558 -13.354 -0.374 1.00 0.00 N ATOM 1434 CA CYS A 88 1.894 -14.585 -0.787 1.00 0.00 C ATOM 1435 C CYS A 88 2.814 -15.431 -1.662 1.00 0.00 C ATOM 1436 O CYS A 88 3.095 -16.588 -1.347 1.00 0.00 O ATOM 1437 CB CYS A 88 0.605 -14.264 -1.544 1.00 0.00 C ATOM 1438 SG CYS A 88 -0.753 -13.709 -0.487 1.00 0.00 S ATOM 0 H CYS A 88 2.211 -12.513 -0.834 1.00 0.00 H new ATOM 0 HA CYS A 88 1.648 -15.155 0.109 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.814 -13.492 -2.284 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.286 -15.152 -2.090 1.00 0.00 H new ATOM 0 HG CYS A 88 -1.798 -13.460 -1.218 1.00 0.00 H new ATOM 1444 N HIS A 89 3.279 -14.847 -2.761 1.00 0.00 N ATOM 1445 CA HIS A 89 4.167 -15.548 -3.682 1.00 0.00 C ATOM 1446 C HIS A 89 5.264 -16.287 -2.923 1.00 0.00 C ATOM 1447 O HIS A 89 5.382 -17.508 -3.016 1.00 0.00 O ATOM 1448 CB HIS A 89 4.790 -14.563 -4.672 1.00 0.00 C ATOM 1449 CG HIS A 89 5.405 -15.224 -5.867 1.00 0.00 C ATOM 1450 ND1 HIS A 89 4.693 -15.531 -7.007 1.00 0.00 N ATOM 1451 CD2 HIS A 89 6.675 -15.635 -6.096 1.00 0.00 C ATOM 1452 CE1 HIS A 89 5.497 -16.103 -7.885 1.00 0.00 C ATOM 1453 NE2 HIS A 89 6.706 -16.178 -7.357 1.00 0.00 N ATOM 0 H HIS A 89 3.056 -13.890 -3.036 1.00 0.00 H new ATOM 0 HA HIS A 89 3.575 -16.279 -4.232 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.024 -13.864 -5.008 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.552 -13.977 -4.158 1.00 0.00 H new ATOM 0 HD2 HIS A 89 7.508 -15.551 -5.414 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.214 -16.450 -8.868 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.528 -16.575 -7.812 1.00 0.00 H new ATOM 1462 N ASN A 90 6.065 -15.538 -2.172 1.00 0.00 N ATOM 1463 CA ASN A 90 7.154 -16.122 -1.397 1.00 0.00 C ATOM 1464 C ASN A 90 6.720 -17.436 -0.754 1.00 0.00 C ATOM 1465 O ASN A 90 7.537 -18.329 -0.531 1.00 0.00 O ATOM 1466 CB ASN A 90 7.622 -15.143 -0.318 1.00 0.00 C ATOM 1467 CG ASN A 90 8.620 -14.132 -0.849 1.00 0.00 C ATOM 1468 OD1 ASN A 90 9.145 -14.282 -1.952 1.00 0.00 O ATOM 1469 ND2 ASN A 90 8.887 -13.096 -0.062 1.00 0.00 N ATOM 0 H ASN A 90 5.980 -14.525 -2.084 1.00 0.00 H new ATOM 0 HA ASN A 90 7.982 -16.326 -2.076 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.759 -14.617 0.091 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.074 -15.700 0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.551 -12.384 -0.365 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.428 -13.013 0.845 1.00 0.00 H new ATOM 1476 N ALA A 91 5.429 -17.546 -0.460 1.00 0.00 N ATOM 1477 CA ALA A 91 4.886 -18.751 0.155 1.00 0.00 C ATOM 1478 C ALA A 91 4.906 -19.922 -0.822 1.00 0.00 C ATOM 1479 O ALA A 91 5.574 -20.928 -0.584 1.00 0.00 O ATOM 1480 CB ALA A 91 3.470 -18.498 0.650 1.00 0.00 C ATOM 0 H ALA A 91 4.740 -16.816 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 91 5.516 -19.011 1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.077 -19.406 1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.480 -17.696 1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.837 -18.211 -0.190 1.00 0.00 H new ATOM 1486 N GLN A 92 4.169 -19.784 -1.919 1.00 0.00 N ATOM 1487 CA GLN A 92 4.101 -20.832 -2.931 1.00 0.00 C ATOM 1488 C GLN A 92 5.495 -21.190 -3.437 1.00 0.00 C ATOM 1489 O GLN A 92 5.715 -22.281 -3.964 1.00 0.00 O ATOM 1490 CB GLN A 92 3.220 -20.387 -4.099 1.00 0.00 C ATOM 1491 CG GLN A 92 1.782 -20.096 -3.699 1.00 0.00 C ATOM 1492 CD GLN A 92 1.004 -19.391 -4.792 1.00 0.00 C ATOM 1493 OE1 GLN A 92 -0.207 -19.868 -5.059 1.00 0.00 O flip ATOM 1494 NE2 GLN A 92 1.485 -18.429 -5.391 1.00 0.00 N flip ATOM 0 H GLN A 92 3.610 -18.957 -2.130 1.00 0.00 H new ATOM 0 HA GLN A 92 3.662 -21.718 -2.472 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.651 -19.493 -4.549 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.226 -21.163 -4.864 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.282 -21.032 -3.448 1.00 0.00 H new ATOM 0 HG3 GLN A 92 1.777 -19.480 -2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.419 -18.096 -5.153 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.949 -17.965 -6.125 1.00 0.00 H new ATOM 1503 N THR A 93 6.434 -20.263 -3.276 1.00 0.00 N ATOM 1504 CA THR A 93 7.806 -20.480 -3.718 1.00 0.00 C ATOM 1505 C THR A 93 8.551 -21.406 -2.764 1.00 0.00 C ATOM 1506 O THR A 93 9.470 -22.120 -3.167 1.00 0.00 O ATOM 1507 CB THR A 93 8.576 -19.150 -3.832 1.00 0.00 C ATOM 1508 OG1 THR A 93 7.956 -18.307 -4.809 1.00 0.00 O ATOM 1509 CG2 THR A 93 10.027 -19.397 -4.214 1.00 0.00 C ATOM 0 H THR A 93 6.269 -19.354 -2.843 1.00 0.00 H new ATOM 0 HA THR A 93 7.752 -20.945 -4.702 1.00 0.00 H new ATOM 0 HB THR A 93 8.552 -18.657 -2.860 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.111 -17.960 -4.453 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.551 -18.444 -4.289 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.504 -20.014 -3.453 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.068 -19.910 -5.175 1.00 0.00 H new ATOM 1517 N PHE A 94 8.150 -21.389 -1.497 1.00 0.00 N ATOM 1518 CA PHE A 94 8.782 -22.228 -0.485 1.00 0.00 C ATOM 1519 C PHE A 94 7.904 -23.431 -0.150 1.00 0.00 C ATOM 1520 O PHE A 94 8.326 -24.578 -0.287 1.00 0.00 O ATOM 1521 CB PHE A 94 9.057 -21.416 0.782 1.00 0.00 C ATOM 1522 CG PHE A 94 10.250 -21.898 1.556 1.00 0.00 C ATOM 1523 CD1 PHE A 94 11.452 -22.152 0.916 1.00 0.00 C ATOM 1524 CD2 PHE A 94 10.169 -22.099 2.925 1.00 0.00 C ATOM 1525 CE1 PHE A 94 12.552 -22.596 1.625 1.00 0.00 C ATOM 1526 CE2 PHE A 94 11.266 -22.543 3.640 1.00 0.00 C ATOM 1527 CZ PHE A 94 12.458 -22.792 2.989 1.00 0.00 C ATOM 0 H PHE A 94 7.391 -20.804 -1.147 1.00 0.00 H new ATOM 0 HA PHE A 94 9.727 -22.591 -0.889 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.209 -20.372 0.509 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.178 -21.452 1.425 1.00 0.00 H new ATOM 0 HD1 PHE A 94 11.530 -22.001 -0.151 1.00 0.00 H new ATOM 0 HD2 PHE A 94 9.239 -21.907 3.439 1.00 0.00 H new ATOM 0 HE1 PHE A 94 13.483 -22.789 1.114 1.00 0.00 H new ATOM 0 HE2 PHE A 94 11.191 -22.695 4.707 1.00 0.00 H new ATOM 0 HZ PHE A 94 13.316 -23.140 3.546 1.00 0.00 H new ATOM 1537 N ASN A 95 6.679 -23.158 0.290 1.00 0.00 N ATOM 1538 CA ASN A 95 5.741 -24.216 0.645 1.00 0.00 C ATOM 1539 C ASN A 95 5.313 -25.002 -0.591 1.00 0.00 C ATOM 1540 O ASN A 95 5.068 -24.426 -1.652 1.00 0.00 O ATOM 1541 CB ASN A 95 4.512 -23.626 1.339 1.00 0.00 C ATOM 1542 CG ASN A 95 4.753 -23.356 2.812 1.00 0.00 C ATOM 1543 OD1 ASN A 95 4.949 -22.089 3.157 1.00 0.00 O flip ATOM 1544 ND2 ASN A 95 4.763 -24.277 3.629 1.00 0.00 N flip ATOM 0 H ASN A 95 6.314 -22.213 0.409 1.00 0.00 H new ATOM 0 HA ASN A 95 6.244 -24.898 1.331 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.230 -22.697 0.844 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.673 -24.313 1.231 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.608 -25.236 3.318 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.927 -24.081 4.617 1.00 0.00 H new ATOM 1551 N LEU A 96 5.225 -26.319 -0.446 1.00 0.00 N ATOM 1552 CA LEU A 96 4.825 -27.185 -1.550 1.00 0.00 C ATOM 1553 C LEU A 96 3.512 -26.712 -2.165 1.00 0.00 C ATOM 1554 O LEU A 96 2.945 -25.705 -1.743 1.00 0.00 O ATOM 1555 CB LEU A 96 4.685 -28.629 -1.067 1.00 0.00 C ATOM 1556 CG LEU A 96 5.979 -29.439 -0.987 1.00 0.00 C ATOM 1557 CD1 LEU A 96 6.717 -29.139 0.309 1.00 0.00 C ATOM 1558 CD2 LEU A 96 5.685 -30.928 -1.103 1.00 0.00 C ATOM 0 H LEU A 96 5.425 -26.811 0.425 1.00 0.00 H new ATOM 0 HA LEU A 96 5.600 -27.139 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.226 -28.617 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.996 -29.148 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 96 6.618 -29.149 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.636 -29.725 0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.961 -28.078 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.084 -29.400 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.618 -31.489 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.026 -31.233 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.200 -31.130 -2.058 1.00 0.00 H new ATOM 1570 N GLU A 97 3.032 -27.448 -3.163 1.00 0.00 N ATOM 1571 CA GLU A 97 1.784 -27.104 -3.834 1.00 0.00 C ATOM 1572 C GLU A 97 0.585 -27.662 -3.073 1.00 0.00 C ATOM 1573 O GLU A 97 0.732 -28.521 -2.204 1.00 0.00 O ATOM 1574 CB GLU A 97 1.786 -27.640 -5.268 1.00 0.00 C ATOM 1575 CG GLU A 97 2.421 -26.692 -6.271 1.00 0.00 C ATOM 1576 CD GLU A 97 2.559 -27.308 -7.650 1.00 0.00 C ATOM 1577 OE1 GLU A 97 2.960 -28.488 -7.734 1.00 0.00 O ATOM 1578 OE2 GLU A 97 2.267 -26.611 -8.644 1.00 0.00 O ATOM 0 H GLU A 97 3.488 -28.286 -3.524 1.00 0.00 H new ATOM 0 HA GLU A 97 1.702 -26.017 -3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 97 2.319 -28.590 -5.291 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.759 -27.843 -5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.819 -25.786 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.405 -26.394 -5.910 1.00 0.00 H new ATOM 1585 N GLY A 98 -0.603 -27.165 -3.405 1.00 0.00 N ATOM 1586 CA GLY A 98 -1.810 -27.624 -2.743 1.00 0.00 C ATOM 1587 C GLY A 98 -1.578 -27.966 -1.285 1.00 0.00 C ATOM 1588 O GLY A 98 -2.220 -28.864 -0.741 1.00 0.00 O ATOM 0 H GLY A 98 -0.751 -26.453 -4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.576 -26.852 -2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.194 -28.502 -3.262 1.00 0.00 H new ATOM 1592 N SER A 99 -0.655 -27.249 -0.650 1.00 0.00 N ATOM 1593 CA SER A 99 -0.335 -27.485 0.753 1.00 0.00 C ATOM 1594 C SER A 99 -1.073 -26.497 1.651 1.00 0.00 C ATOM 1595 O SER A 99 -1.622 -25.503 1.178 1.00 0.00 O ATOM 1596 CB SER A 99 1.173 -27.370 0.980 1.00 0.00 C ATOM 1597 OG SER A 99 1.496 -27.529 2.351 1.00 0.00 O ATOM 0 H SER A 99 -0.116 -26.500 -1.085 1.00 0.00 H new ATOM 0 HA SER A 99 -0.658 -28.494 1.010 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.691 -28.127 0.391 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.523 -26.399 0.631 1.00 0.00 H new ATOM 0 HG SER A 99 2.466 -27.453 2.470 1.00 0.00 H new ATOM 1603 N GLN A 100 -1.081 -26.781 2.950 1.00 0.00 N ATOM 1604 CA GLN A 100 -1.752 -25.918 3.915 1.00 0.00 C ATOM 1605 C GLN A 100 -1.492 -24.448 3.605 1.00 0.00 C ATOM 1606 O GLN A 100 -2.425 -23.650 3.507 1.00 0.00 O ATOM 1607 CB GLN A 100 -1.281 -26.243 5.334 1.00 0.00 C ATOM 1608 CG GLN A 100 -1.605 -27.662 5.773 1.00 0.00 C ATOM 1609 CD GLN A 100 -3.033 -27.812 6.257 1.00 0.00 C ATOM 1610 OE1 GLN A 100 -3.632 -26.863 6.763 1.00 0.00 O ATOM 1611 NE2 GLN A 100 -3.588 -29.008 6.103 1.00 0.00 N ATOM 0 H GLN A 100 -0.631 -27.601 3.358 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.824 -26.101 3.844 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.203 -26.090 5.394 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.742 -25.542 6.030 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.434 -28.344 4.940 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.923 -27.956 6.570 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.055 -29.767 5.678 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.548 -29.168 6.409 1.00 0.00 H new ATOM 1620 N ILE A 101 -0.220 -24.097 3.451 1.00 0.00 N ATOM 1621 CA ILE A 101 0.162 -22.723 3.150 1.00 0.00 C ATOM 1622 C ILE A 101 -0.298 -22.317 1.754 1.00 0.00 C ATOM 1623 O ILE A 101 -0.909 -21.263 1.572 1.00 0.00 O ATOM 1624 CB ILE A 101 1.686 -22.526 3.254 1.00 0.00 C ATOM 1625 CG1 ILE A 101 2.199 -23.043 4.600 1.00 0.00 C ATOM 1626 CG2 ILE A 101 2.045 -21.059 3.072 1.00 0.00 C ATOM 1627 CD1 ILE A 101 1.279 -22.727 5.758 1.00 0.00 C ATOM 0 H ILE A 101 0.564 -24.745 3.530 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.329 -22.091 3.890 1.00 0.00 H new ATOM 0 HB ILE A 101 2.166 -23.098 2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.334 -24.123 4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.180 -22.610 4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.125 -20.937 3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.710 -20.721 2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 101 1.557 -20.466 3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.705 -23.123 6.680 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.163 -21.647 5.846 1.00 0.00 H new ATOM 0 HD13 ILE A 101 0.305 -23.183 5.584 1.00 0.00 H new ATOM 1639 N TYR A 102 -0.002 -23.160 0.772 1.00 0.00 N ATOM 1640 CA TYR A 102 -0.385 -22.890 -0.609 1.00 0.00 C ATOM 1641 C TYR A 102 -1.796 -22.314 -0.680 1.00 0.00 C ATOM 1642 O TYR A 102 -1.988 -21.162 -1.067 1.00 0.00 O ATOM 1643 CB TYR A 102 -0.301 -24.169 -1.443 1.00 0.00 C ATOM 1644 CG TYR A 102 -0.062 -23.917 -2.915 1.00 0.00 C ATOM 1645 CD1 TYR A 102 1.224 -23.733 -3.409 1.00 0.00 C ATOM 1646 CD2 TYR A 102 -1.122 -23.864 -3.812 1.00 0.00 C ATOM 1647 CE1 TYR A 102 1.447 -23.502 -4.752 1.00 0.00 C ATOM 1648 CE2 TYR A 102 -0.908 -23.635 -5.158 1.00 0.00 C ATOM 1649 CZ TYR A 102 0.378 -23.455 -5.623 1.00 0.00 C ATOM 1650 OH TYR A 102 0.595 -23.226 -6.962 1.00 0.00 O ATOM 0 H TYR A 102 0.502 -24.037 0.906 1.00 0.00 H new ATOM 0 HA TYR A 102 0.309 -22.154 -1.015 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.503 -24.794 -1.055 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -1.227 -24.731 -1.325 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.064 -23.771 -2.731 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.130 -24.004 -3.451 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.453 -23.359 -5.119 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.743 -23.597 -5.842 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.262 -23.225 -7.437 1.00 0.00 H new ATOM 1660 N GLU A 103 -2.779 -23.126 -0.304 1.00 0.00 N ATOM 1661 CA GLU A 103 -4.172 -22.697 -0.325 1.00 0.00 C ATOM 1662 C GLU A 103 -4.336 -21.343 0.359 1.00 0.00 C ATOM 1663 O GLU A 103 -4.867 -20.400 -0.227 1.00 0.00 O ATOM 1664 CB GLU A 103 -5.060 -23.738 0.361 1.00 0.00 C ATOM 1665 CG GLU A 103 -5.221 -25.021 -0.437 1.00 0.00 C ATOM 1666 CD GLU A 103 -5.909 -26.117 0.353 1.00 0.00 C ATOM 1667 OE1 GLU A 103 -6.964 -25.838 0.959 1.00 0.00 O ATOM 1668 OE2 GLU A 103 -5.392 -27.254 0.366 1.00 0.00 O ATOM 0 H GLU A 103 -2.637 -24.083 0.018 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.478 -22.598 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.637 -23.978 1.337 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.044 -23.304 0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.796 -24.813 -1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.240 -25.371 -0.758 1.00 0.00 H new ATOM 1675 N ASP A 104 -3.877 -21.257 1.603 1.00 0.00 N ATOM 1676 CA ASP A 104 -3.971 -20.019 2.368 1.00 0.00 C ATOM 1677 C ASP A 104 -3.555 -18.822 1.519 1.00 0.00 C ATOM 1678 O ASP A 104 -4.236 -17.796 1.498 1.00 0.00 O ATOM 1679 CB ASP A 104 -3.096 -20.100 3.620 1.00 0.00 C ATOM 1680 CG ASP A 104 -3.381 -21.339 4.446 1.00 0.00 C ATOM 1681 OD1 ASP A 104 -4.349 -22.060 4.121 1.00 0.00 O ATOM 1682 OD2 ASP A 104 -2.636 -21.589 5.416 1.00 0.00 O ATOM 0 H ASP A 104 -3.436 -22.029 2.103 1.00 0.00 H new ATOM 0 HA ASP A 104 -5.010 -19.885 2.668 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -2.046 -20.096 3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -3.260 -19.213 4.232 1.00 0.00 H new ATOM 1687 N SER A 105 -2.433 -18.959 0.821 1.00 0.00 N ATOM 1688 CA SER A 105 -1.923 -17.887 -0.027 1.00 0.00 C ATOM 1689 C SER A 105 -2.939 -17.517 -1.103 1.00 0.00 C ATOM 1690 O SER A 105 -3.178 -16.338 -1.366 1.00 0.00 O ATOM 1691 CB SER A 105 -0.604 -18.306 -0.677 1.00 0.00 C ATOM 1692 OG SER A 105 -0.831 -19.001 -1.891 1.00 0.00 O ATOM 0 H SER A 105 -1.859 -19.802 0.825 1.00 0.00 H new ATOM 0 HA SER A 105 -1.748 -17.012 0.600 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.007 -17.424 -0.868 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.042 -18.940 0.009 1.00 0.00 H new ATOM 0 HG SER A 105 -0.904 -19.961 -1.709 1.00 0.00 H new ATOM 1698 N ILE A 106 -3.532 -18.531 -1.722 1.00 0.00 N ATOM 1699 CA ILE A 106 -4.522 -18.313 -2.770 1.00 0.00 C ATOM 1700 C ILE A 106 -5.736 -17.564 -2.231 1.00 0.00 C ATOM 1701 O ILE A 106 -6.260 -16.659 -2.881 1.00 0.00 O ATOM 1702 CB ILE A 106 -4.988 -19.643 -3.390 1.00 0.00 C ATOM 1703 CG1 ILE A 106 -3.904 -20.211 -4.308 1.00 0.00 C ATOM 1704 CG2 ILE A 106 -6.287 -19.444 -4.156 1.00 0.00 C ATOM 1705 CD1 ILE A 106 -2.859 -21.025 -3.578 1.00 0.00 C ATOM 0 H ILE A 106 -3.345 -19.512 -1.516 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.039 -17.712 -3.540 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.168 -20.357 -2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.374 -20.836 -5.068 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.414 -19.389 -4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.603 -20.393 -4.588 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.058 -19.080 -3.477 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.132 -18.716 -4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.123 -21.396 -4.291 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.362 -20.399 -2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.337 -21.868 -3.079 1.00 0.00 H new ATOM 1717 N VAL A 107 -6.178 -17.945 -1.036 1.00 0.00 N ATOM 1718 CA VAL A 107 -7.329 -17.308 -0.408 1.00 0.00 C ATOM 1719 C VAL A 107 -7.055 -15.835 -0.127 1.00 0.00 C ATOM 1720 O VAL A 107 -7.806 -14.959 -0.560 1.00 0.00 O ATOM 1721 CB VAL A 107 -7.708 -18.009 0.911 1.00 0.00 C ATOM 1722 CG1 VAL A 107 -8.884 -17.305 1.571 1.00 0.00 C ATOM 1723 CG2 VAL A 107 -8.025 -19.476 0.662 1.00 0.00 C ATOM 0 H VAL A 107 -5.756 -18.692 -0.484 1.00 0.00 H new ATOM 0 HA VAL A 107 -8.160 -17.393 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.856 -17.955 1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -9.137 -17.814 2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -8.615 -16.271 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.743 -17.325 0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.291 -19.956 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.861 -19.555 -0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.151 -19.970 0.237 1.00 0.00 H new ATOM 1733 N LEU A 108 -5.976 -15.567 0.600 1.00 0.00 N ATOM 1734 CA LEU A 108 -5.602 -14.198 0.939 1.00 0.00 C ATOM 1735 C LEU A 108 -5.856 -13.258 -0.235 1.00 0.00 C ATOM 1736 O LEU A 108 -6.395 -12.165 -0.061 1.00 0.00 O ATOM 1737 CB LEU A 108 -4.129 -14.137 1.346 1.00 0.00 C ATOM 1738 CG LEU A 108 -3.760 -14.862 2.641 1.00 0.00 C ATOM 1739 CD1 LEU A 108 -2.254 -15.047 2.739 1.00 0.00 C ATOM 1740 CD2 LEU A 108 -4.285 -14.097 3.848 1.00 0.00 C ATOM 0 H LEU A 108 -5.345 -16.279 0.966 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.218 -13.876 1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.531 -14.555 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.843 -13.090 1.445 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.226 -15.847 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.011 -15.565 3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.904 -15.637 1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.766 -14.072 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.013 -14.627 4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.848 -13.099 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.370 -14.017 3.784 1.00 0.00 H new ATOM 1752 N GLN A 109 -5.467 -13.692 -1.429 1.00 0.00 N ATOM 1753 CA GLN A 109 -5.654 -12.888 -2.632 1.00 0.00 C ATOM 1754 C GLN A 109 -7.120 -12.507 -2.808 1.00 0.00 C ATOM 1755 O GLN A 109 -7.456 -11.328 -2.921 1.00 0.00 O ATOM 1756 CB GLN A 109 -5.162 -13.652 -3.863 1.00 0.00 C ATOM 1757 CG GLN A 109 -3.650 -13.645 -4.019 1.00 0.00 C ATOM 1758 CD GLN A 109 -3.193 -14.306 -5.304 1.00 0.00 C ATOM 1759 OE1 GLN A 109 -3.195 -13.687 -6.369 1.00 0.00 O ATOM 1760 NE2 GLN A 109 -2.797 -15.570 -5.212 1.00 0.00 N ATOM 0 H GLN A 109 -5.021 -14.595 -1.590 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.070 -11.974 -2.523 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -5.508 -14.684 -3.802 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.613 -13.217 -4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -3.291 -12.616 -3.997 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -3.199 -14.159 -3.170 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.812 -16.045 -4.309 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -2.478 -16.066 -6.044 1.00 0.00 H new ATOM 1769 N SER A 110 -7.990 -13.512 -2.832 1.00 0.00 N ATOM 1770 CA SER A 110 -9.420 -13.282 -3.000 1.00 0.00 C ATOM 1771 C SER A 110 -9.934 -12.284 -1.966 1.00 0.00 C ATOM 1772 O SER A 110 -10.951 -11.623 -2.176 1.00 0.00 O ATOM 1773 CB SER A 110 -10.188 -14.599 -2.879 1.00 0.00 C ATOM 1774 OG SER A 110 -10.316 -15.232 -4.141 1.00 0.00 O ATOM 0 H SER A 110 -7.729 -14.494 -2.737 1.00 0.00 H new ATOM 0 HA SER A 110 -9.582 -12.866 -3.994 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.671 -15.263 -2.186 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.177 -14.410 -2.461 1.00 0.00 H new ATOM 0 HG SER A 110 -10.809 -16.073 -4.037 1.00 0.00 H new ATOM 1780 N VAL A 111 -9.223 -12.180 -0.848 1.00 0.00 N ATOM 1781 CA VAL A 111 -9.605 -11.263 0.219 1.00 0.00 C ATOM 1782 C VAL A 111 -9.104 -9.851 -0.064 1.00 0.00 C ATOM 1783 O VAL A 111 -9.852 -8.880 0.056 1.00 0.00 O ATOM 1784 CB VAL A 111 -9.056 -11.727 1.581 1.00 0.00 C ATOM 1785 CG1 VAL A 111 -9.735 -10.974 2.715 1.00 0.00 C ATOM 1786 CG2 VAL A 111 -9.236 -13.229 1.744 1.00 0.00 C ATOM 0 H VAL A 111 -8.379 -12.720 -0.658 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.694 -11.258 0.257 1.00 0.00 H new ATOM 0 HB VAL A 111 -7.989 -11.506 1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -9.334 -11.315 3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.550 -9.906 2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.808 -11.161 2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.843 -13.540 2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.296 -13.477 1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.699 -13.748 0.950 1.00 0.00 H new ATOM 1796 N PHE A 112 -7.834 -9.744 -0.441 1.00 0.00 N ATOM 1797 CA PHE A 112 -7.233 -8.450 -0.742 1.00 0.00 C ATOM 1798 C PHE A 112 -8.041 -7.708 -1.802 1.00 0.00 C ATOM 1799 O PHE A 112 -8.386 -6.538 -1.630 1.00 0.00 O ATOM 1800 CB PHE A 112 -5.791 -8.633 -1.219 1.00 0.00 C ATOM 1801 CG PHE A 112 -5.146 -7.358 -1.681 1.00 0.00 C ATOM 1802 CD1 PHE A 112 -5.262 -6.944 -2.998 1.00 0.00 C ATOM 1803 CD2 PHE A 112 -4.422 -6.573 -0.798 1.00 0.00 C ATOM 1804 CE1 PHE A 112 -4.670 -5.771 -3.426 1.00 0.00 C ATOM 1805 CE2 PHE A 112 -3.828 -5.398 -1.220 1.00 0.00 C ATOM 1806 CZ PHE A 112 -3.951 -4.998 -2.536 1.00 0.00 C ATOM 0 H PHE A 112 -7.202 -10.537 -0.545 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.234 -7.856 0.172 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.199 -9.057 -0.408 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.776 -9.355 -2.035 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.822 -7.545 -3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -4.321 -6.883 0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.770 -5.459 -4.455 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.268 -4.794 -0.521 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.486 -4.082 -2.869 1.00 0.00 H new ATOM 1816 N LYS A 113 -8.339 -8.395 -2.899 1.00 0.00 N ATOM 1817 CA LYS A 113 -9.107 -7.803 -3.988 1.00 0.00 C ATOM 1818 C LYS A 113 -10.450 -7.283 -3.486 1.00 0.00 C ATOM 1819 O LYS A 113 -10.714 -6.081 -3.522 1.00 0.00 O ATOM 1820 CB LYS A 113 -9.329 -8.831 -5.100 1.00 0.00 C ATOM 1821 CG LYS A 113 -8.216 -8.859 -6.133 1.00 0.00 C ATOM 1822 CD LYS A 113 -6.919 -9.386 -5.542 1.00 0.00 C ATOM 1823 CE LYS A 113 -5.706 -8.766 -6.218 1.00 0.00 C ATOM 1824 NZ LYS A 113 -5.252 -9.570 -7.387 1.00 0.00 N ATOM 0 H LYS A 113 -8.060 -9.363 -3.058 1.00 0.00 H new ATOM 0 HA LYS A 113 -8.538 -6.963 -4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.425 -9.821 -4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -10.273 -8.614 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -8.515 -9.485 -6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -8.057 -7.854 -6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -6.891 -9.171 -4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -6.883 -10.470 -5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -5.949 -7.755 -6.545 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.892 -8.681 -5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.424 -9.115 -7.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.996 -10.527 -7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.020 -9.630 -8.086 1.00 0.00 H new ATOM 1838 N SER A 114 -11.296 -8.195 -3.018 1.00 0.00 N ATOM 1839 CA SER A 114 -12.613 -7.828 -2.511 1.00 0.00 C ATOM 1840 C SER A 114 -12.502 -6.736 -1.452 1.00 0.00 C ATOM 1841 O SER A 114 -13.324 -5.822 -1.399 1.00 0.00 O ATOM 1842 CB SER A 114 -13.317 -9.054 -1.926 1.00 0.00 C ATOM 1843 OG SER A 114 -14.725 -8.890 -1.942 1.00 0.00 O ATOM 0 H SER A 114 -11.093 -9.194 -2.979 1.00 0.00 H new ATOM 0 HA SER A 114 -13.202 -7.443 -3.343 1.00 0.00 H new ATOM 0 HB2 SER A 114 -13.045 -9.941 -2.498 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.978 -9.218 -0.903 1.00 0.00 H new ATOM 0 HG SER A 114 -15.152 -9.688 -1.565 1.00 0.00 H new ATOM 1849 N ALA A 115 -11.480 -6.839 -0.609 1.00 0.00 N ATOM 1850 CA ALA A 115 -11.259 -5.861 0.448 1.00 0.00 C ATOM 1851 C ALA A 115 -11.035 -4.468 -0.131 1.00 0.00 C ATOM 1852 O ALA A 115 -11.631 -3.492 0.326 1.00 0.00 O ATOM 1853 CB ALA A 115 -10.075 -6.273 1.310 1.00 0.00 C ATOM 0 H ALA A 115 -10.791 -7.591 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 115 -12.153 -5.828 1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.922 -5.533 2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.274 -7.245 1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.180 -6.337 0.692 1.00 0.00 H new ATOM 1859 N ARG A 116 -10.173 -4.383 -1.139 1.00 0.00 N ATOM 1860 CA ARG A 116 -9.869 -3.109 -1.779 1.00 0.00 C ATOM 1861 C ARG A 116 -11.129 -2.483 -2.370 1.00 0.00 C ATOM 1862 O ARG A 116 -11.497 -1.361 -2.022 1.00 0.00 O ATOM 1863 CB ARG A 116 -8.820 -3.302 -2.875 1.00 0.00 C ATOM 1864 CG ARG A 116 -8.542 -2.043 -3.681 1.00 0.00 C ATOM 1865 CD ARG A 116 -7.405 -2.253 -4.669 1.00 0.00 C ATOM 1866 NE ARG A 116 -7.877 -2.801 -5.938 1.00 0.00 N ATOM 1867 CZ ARG A 116 -8.382 -2.059 -6.916 1.00 0.00 C ATOM 1868 NH1 ARG A 116 -8.480 -0.744 -6.773 1.00 0.00 N ATOM 1869 NH2 ARG A 116 -8.789 -2.631 -8.042 1.00 0.00 N ATOM 0 H ARG A 116 -9.673 -5.181 -1.530 1.00 0.00 H new ATOM 0 HA ARG A 116 -9.471 -2.435 -1.020 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -7.891 -3.645 -2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -9.154 -4.090 -3.551 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -9.443 -1.748 -4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -8.292 -1.225 -3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.901 -1.303 -4.849 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -6.667 -2.928 -4.235 1.00 0.00 H new ATOM 0 HE ARG A 116 -7.815 -3.809 -6.080 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -8.167 -0.300 -5.910 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -8.868 -0.177 -7.526 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -8.714 -3.642 -8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -9.177 -2.060 -8.793 1.00 0.00 H new ATOM 1883 N GLN A 117 -11.784 -3.216 -3.264 1.00 0.00 N ATOM 1884 CA GLN A 117 -13.001 -2.732 -3.904 1.00 0.00 C ATOM 1885 C GLN A 117 -13.867 -1.960 -2.913 1.00 0.00 C ATOM 1886 O GLN A 117 -14.195 -0.795 -3.137 1.00 0.00 O ATOM 1887 CB GLN A 117 -13.795 -3.901 -4.489 1.00 0.00 C ATOM 1888 CG GLN A 117 -14.596 -3.534 -5.727 1.00 0.00 C ATOM 1889 CD GLN A 117 -15.976 -3.003 -5.393 1.00 0.00 C ATOM 1890 OE1 GLN A 117 -16.203 -2.472 -4.306 1.00 0.00 O ATOM 1891 NE2 GLN A 117 -16.908 -3.145 -6.329 1.00 0.00 N ATOM 0 H GLN A 117 -11.492 -4.147 -3.562 1.00 0.00 H new ATOM 0 HA GLN A 117 -12.713 -2.058 -4.711 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -13.106 -4.708 -4.738 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -14.474 -4.285 -3.728 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -14.051 -2.783 -6.299 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.693 -4.412 -6.366 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -16.676 -3.591 -7.216 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -17.856 -2.808 -6.160 1.00 0.00 H new ATOM 1900 N SER A 118 -14.233 -2.617 -1.818 1.00 0.00 N ATOM 1901 CA SER A 118 -15.065 -1.994 -0.795 1.00 0.00 C ATOM 1902 C SER A 118 -14.763 -2.580 0.581 1.00 0.00 C ATOM 1903 O SER A 118 -14.345 -3.731 0.701 1.00 0.00 O ATOM 1904 CB SER A 118 -16.546 -2.181 -1.127 1.00 0.00 C ATOM 1905 OG SER A 118 -16.941 -3.531 -0.956 1.00 0.00 O ATOM 0 H SER A 118 -13.967 -3.581 -1.616 1.00 0.00 H new ATOM 0 HA SER A 118 -14.837 -0.928 -0.776 1.00 0.00 H new ATOM 0 HB2 SER A 118 -17.149 -1.538 -0.486 1.00 0.00 H new ATOM 0 HB3 SER A 118 -16.733 -1.872 -2.155 1.00 0.00 H new ATOM 0 HG SER A 118 -17.892 -3.624 -1.173 1.00 0.00 H new ATOM 1911 N GLY A 119 -14.978 -1.777 1.619 1.00 0.00 N ATOM 1912 CA GLY A 119 -14.724 -2.232 2.974 1.00 0.00 C ATOM 1913 C GLY A 119 -15.764 -3.223 3.458 1.00 0.00 C ATOM 1914 O GLY A 119 -16.708 -3.562 2.744 1.00 0.00 O ATOM 0 H GLY A 119 -15.323 -0.820 1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -13.738 -2.694 3.020 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -14.705 -1.373 3.645 1.00 0.00 H new ATOM 1918 N PRO A 120 -15.597 -3.705 4.698 1.00 0.00 N ATOM 1919 CA PRO A 120 -16.518 -4.670 5.303 1.00 0.00 C ATOM 1920 C PRO A 120 -17.877 -4.054 5.621 1.00 0.00 C ATOM 1921 O PRO A 120 -18.016 -2.833 5.684 1.00 0.00 O ATOM 1922 CB PRO A 120 -15.804 -5.083 6.593 1.00 0.00 C ATOM 1923 CG PRO A 120 -14.922 -3.928 6.923 1.00 0.00 C ATOM 1924 CD PRO A 120 -14.494 -3.344 5.605 1.00 0.00 C ATOM 0 HA PRO A 120 -16.733 -5.503 4.633 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -16.516 -5.279 7.394 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -15.225 -5.995 6.451 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -15.454 -3.190 7.523 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -14.059 -4.250 7.506 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -14.362 -2.264 5.668 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -13.545 -3.762 5.270 1.00 0.00 H new ATOM 1932 N SER A 121 -18.876 -4.907 5.821 1.00 0.00 N ATOM 1933 CA SER A 121 -20.225 -4.446 6.129 1.00 0.00 C ATOM 1934 C SER A 121 -21.139 -5.622 6.460 1.00 0.00 C ATOM 1935 O SER A 121 -21.024 -6.697 5.871 1.00 0.00 O ATOM 1936 CB SER A 121 -20.798 -3.656 4.951 1.00 0.00 C ATOM 1937 OG SER A 121 -20.729 -4.407 3.751 1.00 0.00 O ATOM 0 H SER A 121 -18.777 -5.921 5.775 1.00 0.00 H new ATOM 0 HA SER A 121 -20.169 -3.795 7.001 1.00 0.00 H new ATOM 0 HB2 SER A 121 -21.835 -3.389 5.158 1.00 0.00 H new ATOM 0 HB3 SER A 121 -20.247 -2.723 4.832 1.00 0.00 H new ATOM 0 HG SER A 121 -21.103 -3.881 3.014 1.00 0.00 H new ATOM 1943 N SER A 122 -22.047 -5.409 7.407 1.00 0.00 N ATOM 1944 CA SER A 122 -22.979 -6.452 7.820 1.00 0.00 C ATOM 1945 C SER A 122 -24.050 -6.676 6.757 1.00 0.00 C ATOM 1946 O SER A 122 -25.127 -6.084 6.811 1.00 0.00 O ATOM 1947 CB SER A 122 -23.635 -6.080 9.152 1.00 0.00 C ATOM 1948 OG SER A 122 -24.603 -7.044 9.530 1.00 0.00 O ATOM 0 H SER A 122 -22.157 -4.524 7.902 1.00 0.00 H new ATOM 0 HA SER A 122 -22.418 -7.378 7.945 1.00 0.00 H new ATOM 0 HB2 SER A 122 -22.873 -6.002 9.927 1.00 0.00 H new ATOM 0 HB3 SER A 122 -24.106 -5.101 9.068 1.00 0.00 H new ATOM 0 HG SER A 122 -25.007 -6.785 10.385 1.00 0.00 H new ATOM 1954 N GLY A 123 -23.745 -7.535 5.790 1.00 0.00 N ATOM 1955 CA GLY A 123 -24.690 -7.823 4.728 1.00 0.00 C ATOM 1956 C GLY A 123 -25.604 -8.985 5.064 1.00 0.00 C ATOM 1957 O GLY A 123 -25.828 -9.288 6.235 1.00 0.00 O ATOM 0 H GLY A 123 -22.860 -8.037 5.723 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -25.292 -6.936 4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -24.144 -8.047 3.811 1.00 0.00 H new TER 1961 GLY A 123