USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 924 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 82 LYS NZ :NH3+ -155:sc= 0 (180deg=0) USER MOD Set 1.2: A 86 GLN : amide:sc= -0.298 K(o=0.2,f=-1.9!) USER MOD Set 1.3: A 90 ASN : amide:sc= -0.151 X(o=0.2,f=-0.27) USER MOD Set 1.4: B 3 LYS NZ :NH3+ 176:sc= 0.648 (180deg=0.64) USER MOD Set 2.1: A 57 HIS : no HD1:sc= 0 X(o=0,f=0.0069) USER MOD Set 2.2: A 61 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 64 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 20 GLN :FLIP amide:sc= -2.85! C(o=-11!,f=-4.8!) USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= -0.573 F(o=-5.7,f=-4.8) USER MOD Set 3.3: B 21 ASN : amide:sc= -1.4 K(o=-4.8,f=-10!) USER MOD Set 4.1: A 8 THR OG1 : rot 150:sc= 0 USER MOD Set 4.2: A 11 MET CE :methyl -119:sc= -1.66 (180deg=-5.68!) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0431 (180deg=0) USER MOD Single : A 5 SER OG : rot 36:sc= 0.723 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0401 X(o=-0.04,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -105:sc= -1.37 (180deg=-4.46!) USER MOD Single : A 22 GLN : amide:sc= -0.418 X(o=-0.42,f=-0.45) USER MOD Single : A 23 MET CE :methyl -163:sc= -3.59! (180deg=-3.74!) USER MOD Single : A 33 GLN : amide:sc= -2.02! C(o=-2!,f=-4.1!) USER MOD Single : A 35 MET CE :methyl -167:sc= -5.47! (180deg=-6.8!) USER MOD Single : A 36 HIS : no HE2:sc= -0.82 K(o=-0.82,f=-2.6!) USER MOD Single : A 38 THR OG1 : rot 120:sc= -0.696 USER MOD Single : A 42 LYS NZ :NH3+ -145:sc= -0.552 (180deg=-0.849) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 46 MET CE :methyl -150:sc= -2.18 (180deg=-2.83) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -151:sc= -2.93 (180deg=-7.11!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= -5.64! (180deg=-6.09!) USER MOD Single : A 77 GLN : amide:sc= -0.497 X(o=-0.5,f=0) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0.0326 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 47:sc= 0.095 USER MOD Single : B 1 VAL N :NH3+ 166:sc= -0.107 (180deg=-0.468) USER MOD Single : B 4 SER OG : rot 180:sc= 0.0675 USER MOD Single : B 5 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : B 7 ASN :FLIP amide:sc= -0.599 F(o=-3.7!,f=-0.6) USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 11 LYS NZ :NH3+ 178:sc= 0.208 (180deg=0.207) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.709 -18.737 -14.203 1.00 0.00 N ATOM 2 CA GLY A 1 -4.782 -18.003 -14.931 1.00 0.00 C ATOM 3 C GLY A 1 -4.257 -16.772 -15.650 1.00 0.00 C ATOM 4 O GLY A 1 -3.056 -16.661 -15.892 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.781 -19.753 -14.411 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.779 -18.386 -14.510 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.817 -18.584 -13.180 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.249 -18.671 -15.654 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.558 -17.705 -14.225 1.00 0.00 H new ATOM 10 N PRO A 2 -5.142 -15.821 -16.006 1.00 0.00 N ATOM 11 CA PRO A 2 -4.745 -14.598 -16.707 1.00 0.00 C ATOM 12 C PRO A 2 -4.103 -13.575 -15.774 1.00 0.00 C ATOM 13 O PRO A 2 -4.180 -13.701 -14.552 1.00 0.00 O ATOM 14 CB PRO A 2 -6.069 -14.066 -17.251 1.00 0.00 C ATOM 15 CG PRO A 2 -7.091 -14.542 -16.276 1.00 0.00 C ATOM 16 CD PRO A 2 -6.598 -15.870 -15.762 1.00 0.00 C ATOM 0 HA PRO A 2 -3.995 -14.790 -17.474 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.062 -12.978 -17.319 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -6.268 -14.447 -18.253 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.211 -13.830 -15.460 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.065 -14.647 -16.754 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -6.822 -15.998 -14.703 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.065 -16.702 -16.290 1.00 0.00 H new ATOM 24 N LEU A 3 -3.472 -12.561 -16.360 1.00 0.00 N ATOM 25 CA LEU A 3 -2.816 -11.515 -15.583 1.00 0.00 C ATOM 26 C LEU A 3 -3.712 -10.287 -15.459 1.00 0.00 C ATOM 27 O LEU A 3 -3.321 -9.277 -14.874 1.00 0.00 O ATOM 28 CB LEU A 3 -1.487 -11.128 -16.234 1.00 0.00 C ATOM 29 CG LEU A 3 -0.529 -10.343 -15.334 1.00 0.00 C ATOM 30 CD1 LEU A 3 0.274 -11.288 -14.455 1.00 0.00 C ATOM 31 CD2 LEU A 3 0.395 -9.472 -16.171 1.00 0.00 C ATOM 0 H LEU A 3 -3.401 -12.442 -17.371 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.624 -11.904 -14.583 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.985 -12.036 -16.568 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.695 -10.533 -17.123 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.119 -9.694 -14.687 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.949 -10.711 -13.823 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.404 -11.867 -13.828 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.854 -11.964 -15.083 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.069 -8.921 -15.515 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.977 -10.101 -16.844 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.198 -8.768 -16.755 1.00 0.00 H new ATOM 43 N GLY A 4 -4.918 -10.381 -16.013 1.00 0.00 N ATOM 44 CA GLY A 4 -5.850 -9.270 -15.954 1.00 0.00 C ATOM 45 C GLY A 4 -6.946 -9.482 -14.928 1.00 0.00 C ATOM 46 O GLY A 4 -7.976 -8.811 -14.965 1.00 0.00 O ATOM 0 H GLY A 4 -5.265 -11.206 -16.501 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.306 -8.356 -15.715 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.300 -9.125 -16.936 1.00 0.00 H new ATOM 50 N SER A 5 -6.722 -10.419 -14.011 1.00 0.00 N ATOM 51 CA SER A 5 -7.699 -10.717 -12.970 1.00 0.00 C ATOM 52 C SER A 5 -7.581 -9.728 -11.811 1.00 0.00 C ATOM 53 O SER A 5 -6.593 -9.739 -11.077 1.00 0.00 O ATOM 54 CB SER A 5 -7.509 -12.146 -12.457 1.00 0.00 C ATOM 55 OG SER A 5 -6.225 -12.316 -11.882 1.00 0.00 O ATOM 0 H SER A 5 -5.874 -10.984 -13.968 1.00 0.00 H new ATOM 0 HA SER A 5 -8.694 -10.623 -13.404 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.275 -12.375 -11.716 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.639 -12.851 -13.278 1.00 0.00 H new ATOM 0 HG SER A 5 -5.963 -11.493 -11.419 1.00 0.00 H new ATOM 61 N PRO A 6 -8.589 -8.855 -11.630 1.00 0.00 N ATOM 62 CA PRO A 6 -8.586 -7.856 -10.555 1.00 0.00 C ATOM 63 C PRO A 6 -8.592 -8.496 -9.170 1.00 0.00 C ATOM 64 O PRO A 6 -9.303 -9.472 -8.930 1.00 0.00 O ATOM 65 CB PRO A 6 -9.882 -7.066 -10.781 1.00 0.00 C ATOM 66 CG PRO A 6 -10.287 -7.371 -12.183 1.00 0.00 C ATOM 67 CD PRO A 6 -9.802 -8.763 -12.459 1.00 0.00 C ATOM 0 HA PRO A 6 -7.688 -7.238 -10.585 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.655 -7.367 -10.074 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.721 -5.997 -10.641 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.369 -7.304 -12.300 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.846 -6.659 -12.880 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.542 -9.512 -12.178 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.582 -8.913 -13.516 1.00 0.00 H new ATOM 75 N LEU A 7 -7.796 -7.939 -8.262 1.00 0.00 N ATOM 76 CA LEU A 7 -7.715 -8.449 -6.898 1.00 0.00 C ATOM 77 C LEU A 7 -8.541 -7.589 -5.946 1.00 0.00 C ATOM 78 O LEU A 7 -9.612 -7.997 -5.495 1.00 0.00 O ATOM 79 CB LEU A 7 -6.256 -8.493 -6.430 1.00 0.00 C ATOM 80 CG LEU A 7 -5.448 -9.704 -6.909 1.00 0.00 C ATOM 81 CD1 LEU A 7 -6.178 -11.001 -6.585 1.00 0.00 C ATOM 82 CD2 LEU A 7 -5.167 -9.605 -8.400 1.00 0.00 C ATOM 0 H LEU A 7 -7.198 -7.134 -8.447 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.121 -9.461 -6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.756 -7.586 -6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.241 -8.476 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.495 -9.708 -6.381 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.587 -11.848 -6.934 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.322 -11.078 -5.507 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.148 -11.006 -7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.592 -10.474 -8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.110 -9.572 -8.946 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.597 -8.698 -8.603 1.00 0.00 H new ATOM 94 N THR A 8 -8.058 -6.380 -5.682 1.00 0.00 N ATOM 95 CA THR A 8 -8.746 -5.460 -4.788 1.00 0.00 C ATOM 96 C THR A 8 -9.756 -4.630 -5.564 1.00 0.00 C ATOM 97 O THR A 8 -10.765 -4.195 -5.013 1.00 0.00 O ATOM 98 CB THR A 8 -7.743 -4.544 -4.085 1.00 0.00 C ATOM 99 OG1 THR A 8 -8.414 -3.585 -3.287 1.00 0.00 O ATOM 100 CG2 THR A 8 -6.842 -3.796 -5.042 1.00 0.00 C ATOM 0 H THR A 8 -7.191 -6.015 -6.076 1.00 0.00 H new ATOM 0 HA THR A 8 -9.273 -6.043 -4.033 1.00 0.00 H new ATOM 0 HB THR A 8 -7.127 -5.205 -3.475 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.852 -3.347 -2.520 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.155 -3.165 -4.477 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.273 -4.509 -5.638 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.448 -3.174 -5.701 1.00 0.00 H new ATOM 108 N ALA A 9 -9.490 -4.434 -6.852 1.00 0.00 N ATOM 109 CA ALA A 9 -10.418 -3.718 -7.716 1.00 0.00 C ATOM 110 C ALA A 9 -11.753 -4.442 -7.727 1.00 0.00 C ATOM 111 O ALA A 9 -12.816 -3.823 -7.657 1.00 0.00 O ATOM 112 CB ALA A 9 -9.857 -3.599 -9.124 1.00 0.00 C ATOM 0 H ALA A 9 -8.643 -4.760 -7.317 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.562 -2.709 -7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.566 -3.061 -9.754 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.912 -3.056 -9.095 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.690 -4.595 -9.535 1.00 0.00 H new ATOM 118 N SER A 10 -11.683 -5.770 -7.774 1.00 0.00 N ATOM 119 CA SER A 10 -12.875 -6.600 -7.727 1.00 0.00 C ATOM 120 C SER A 10 -13.519 -6.489 -6.353 1.00 0.00 C ATOM 121 O SER A 10 -14.745 -6.485 -6.229 1.00 0.00 O ATOM 122 CB SER A 10 -12.525 -8.057 -8.032 1.00 0.00 C ATOM 123 OG SER A 10 -13.683 -8.873 -8.038 1.00 0.00 O ATOM 0 H SER A 10 -10.809 -6.292 -7.845 1.00 0.00 H new ATOM 0 HA SER A 10 -13.580 -6.252 -8.483 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.028 -8.119 -9.000 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.820 -8.428 -7.288 1.00 0.00 H new ATOM 0 HG SER A 10 -13.430 -9.799 -8.237 1.00 0.00 H new ATOM 129 N MET A 11 -12.683 -6.348 -5.324 1.00 0.00 N ATOM 130 CA MET A 11 -13.180 -6.188 -3.964 1.00 0.00 C ATOM 131 C MET A 11 -13.960 -4.890 -3.838 1.00 0.00 C ATOM 132 O MET A 11 -14.987 -4.839 -3.169 1.00 0.00 O ATOM 133 CB MET A 11 -12.032 -6.183 -2.955 1.00 0.00 C ATOM 134 CG MET A 11 -11.124 -7.395 -3.058 1.00 0.00 C ATOM 135 SD MET A 11 -10.594 -8.005 -1.446 1.00 0.00 S ATOM 136 CE MET A 11 -9.523 -6.674 -0.909 1.00 0.00 C ATOM 0 H MET A 11 -11.667 -6.342 -5.408 1.00 0.00 H new ATOM 0 HA MET A 11 -13.834 -7.033 -3.749 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.437 -5.281 -3.099 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.446 -6.134 -1.948 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.646 -8.191 -3.590 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.247 -7.137 -3.651 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.513 -7.057 -0.761 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.507 -5.891 -1.668 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.896 -6.262 0.029 1.00 0.00 H new ATOM 146 N LEU A 12 -13.463 -3.843 -4.492 1.00 0.00 N ATOM 147 CA LEU A 12 -14.109 -2.541 -4.454 1.00 0.00 C ATOM 148 C LEU A 12 -15.578 -2.670 -4.830 1.00 0.00 C ATOM 149 O LEU A 12 -16.453 -2.122 -4.160 1.00 0.00 O ATOM 150 CB LEU A 12 -13.400 -1.578 -5.410 1.00 0.00 C ATOM 151 CG LEU A 12 -11.925 -1.308 -5.095 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.387 -0.199 -5.987 1.00 0.00 C ATOM 153 CD2 LEU A 12 -11.737 -0.951 -3.627 1.00 0.00 C ATOM 0 H LEU A 12 -12.613 -3.875 -5.055 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.044 -2.145 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -13.471 -1.979 -6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.935 -0.628 -5.405 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.362 -2.220 -5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.338 -0.019 -5.751 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.478 -0.496 -7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.959 0.713 -5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.681 -0.764 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.313 -0.056 -3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.081 -1.777 -3.005 1.00 0.00 H new ATOM 165 N ALA A 13 -15.840 -3.419 -5.894 1.00 0.00 N ATOM 166 CA ALA A 13 -17.204 -3.657 -6.343 1.00 0.00 C ATOM 167 C ALA A 13 -17.981 -4.479 -5.319 1.00 0.00 C ATOM 168 O ALA A 13 -19.189 -4.301 -5.155 1.00 0.00 O ATOM 169 CB ALA A 13 -17.199 -4.356 -7.693 1.00 0.00 C ATOM 0 H ALA A 13 -15.124 -3.872 -6.462 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.702 -2.693 -6.449 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.225 -4.528 -8.017 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.687 -3.731 -8.425 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.681 -5.311 -7.606 1.00 0.00 H new ATOM 175 N SER A 14 -17.284 -5.391 -4.643 1.00 0.00 N ATOM 176 CA SER A 14 -17.916 -6.258 -3.653 1.00 0.00 C ATOM 177 C SER A 14 -17.636 -5.782 -2.228 1.00 0.00 C ATOM 178 O SER A 14 -17.737 -6.558 -1.278 1.00 0.00 O ATOM 179 CB SER A 14 -17.427 -7.698 -3.824 1.00 0.00 C ATOM 180 OG SER A 14 -17.976 -8.288 -4.990 1.00 0.00 O ATOM 0 H SER A 14 -16.283 -5.548 -4.763 1.00 0.00 H new ATOM 0 HA SER A 14 -18.993 -6.217 -3.817 1.00 0.00 H new ATOM 0 HB2 SER A 14 -16.339 -7.711 -3.884 1.00 0.00 H new ATOM 0 HB3 SER A 14 -17.705 -8.286 -2.949 1.00 0.00 H new ATOM 0 HG SER A 14 -17.647 -9.207 -5.078 1.00 0.00 H new ATOM 186 N ALA A 15 -17.293 -4.505 -2.083 1.00 0.00 N ATOM 187 CA ALA A 15 -17.006 -3.941 -0.767 1.00 0.00 C ATOM 188 C ALA A 15 -17.623 -2.552 -0.616 1.00 0.00 C ATOM 189 O ALA A 15 -17.246 -1.618 -1.325 1.00 0.00 O ATOM 190 CB ALA A 15 -15.506 -3.882 -0.528 1.00 0.00 C ATOM 0 H ALA A 15 -17.207 -3.844 -2.855 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.455 -4.594 -0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.311 -3.459 0.457 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.089 -4.888 -0.580 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.041 -3.257 -1.290 1.00 0.00 H new ATOM 196 N PRO A 16 -18.581 -2.394 0.319 1.00 0.00 N ATOM 197 CA PRO A 16 -19.247 -1.107 0.563 1.00 0.00 C ATOM 198 C PRO A 16 -18.250 0.013 0.867 1.00 0.00 C ATOM 199 O PRO A 16 -17.071 -0.248 1.100 1.00 0.00 O ATOM 200 CB PRO A 16 -20.127 -1.386 1.786 1.00 0.00 C ATOM 201 CG PRO A 16 -20.346 -2.858 1.772 1.00 0.00 C ATOM 202 CD PRO A 16 -19.088 -3.456 1.208 1.00 0.00 C ATOM 0 HA PRO A 16 -19.804 -0.765 -0.309 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.637 -1.068 2.706 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -21.072 -0.845 1.725 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -20.541 -3.234 2.777 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -21.210 -3.119 1.161 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -18.372 -3.701 1.992 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.290 -4.377 0.661 1.00 0.00 H new ATOM 210 N PRO A 17 -18.711 1.279 0.872 1.00 0.00 N ATOM 211 CA PRO A 17 -17.845 2.432 1.152 1.00 0.00 C ATOM 212 C PRO A 17 -17.127 2.310 2.495 1.00 0.00 C ATOM 213 O PRO A 17 -15.978 2.729 2.634 1.00 0.00 O ATOM 214 CB PRO A 17 -18.815 3.617 1.173 1.00 0.00 C ATOM 215 CG PRO A 17 -19.979 3.169 0.359 1.00 0.00 C ATOM 216 CD PRO A 17 -20.101 1.691 0.595 1.00 0.00 C ATOM 0 HA PRO A 17 -17.051 2.528 0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -19.116 3.864 2.191 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -18.357 4.511 0.750 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.889 3.689 0.659 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -19.823 3.384 -0.698 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -20.761 1.470 1.434 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.508 1.176 -0.275 1.00 0.00 H new ATOM 224 N GLN A 18 -17.810 1.732 3.479 1.00 0.00 N ATOM 225 CA GLN A 18 -17.238 1.560 4.811 1.00 0.00 C ATOM 226 C GLN A 18 -16.125 0.516 4.799 1.00 0.00 C ATOM 227 O GLN A 18 -15.368 0.389 5.762 1.00 0.00 O ATOM 228 CB GLN A 18 -18.326 1.150 5.806 1.00 0.00 C ATOM 229 CG GLN A 18 -19.023 2.329 6.466 1.00 0.00 C ATOM 230 CD GLN A 18 -20.373 1.959 7.048 1.00 0.00 C ATOM 231 OE1 GLN A 18 -21.358 2.674 6.864 1.00 0.00 O ATOM 232 NE2 GLN A 18 -20.426 0.837 7.756 1.00 0.00 N ATOM 0 H GLN A 18 -18.760 1.375 3.379 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.811 2.514 5.120 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.069 0.542 5.289 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -17.882 0.522 6.579 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -18.387 2.725 7.257 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -19.154 3.125 5.733 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -19.585 0.274 7.884 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -21.308 0.538 8.172 1.00 0.00 H new ATOM 241 N GLU A 19 -16.028 -0.224 3.700 1.00 0.00 N ATOM 242 CA GLU A 19 -15.005 -1.254 3.554 1.00 0.00 C ATOM 243 C GLU A 19 -13.692 -0.647 3.073 1.00 0.00 C ATOM 244 O GLU A 19 -12.759 -1.368 2.716 1.00 0.00 O ATOM 245 CB GLU A 19 -15.472 -2.324 2.565 1.00 0.00 C ATOM 246 CG GLU A 19 -15.477 -3.731 3.140 1.00 0.00 C ATOM 247 CD GLU A 19 -16.715 -4.020 3.965 1.00 0.00 C ATOM 248 OE1 GLU A 19 -16.906 -3.353 5.005 1.00 0.00 O ATOM 249 OE2 GLU A 19 -17.495 -4.912 3.573 1.00 0.00 O ATOM 0 H GLU A 19 -16.647 -0.130 2.895 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.841 -1.712 4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.478 -2.077 2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.825 -2.302 1.688 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.411 -4.452 2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.591 -3.869 3.760 1.00 0.00 H new ATOM 256 N GLN A 20 -13.632 0.683 3.060 1.00 0.00 N ATOM 257 CA GLN A 20 -12.439 1.401 2.618 1.00 0.00 C ATOM 258 C GLN A 20 -11.180 0.842 3.273 1.00 0.00 C ATOM 259 O GLN A 20 -10.308 0.297 2.598 1.00 0.00 O ATOM 260 CB GLN A 20 -12.571 2.894 2.936 1.00 0.00 C ATOM 261 CG GLN A 20 -13.331 3.184 4.220 1.00 0.00 C ATOM 262 CD GLN A 20 -12.546 4.059 5.177 1.00 0.00 C ATOM 263 OE1 GLN A 20 -12.454 3.630 6.430 1.00 0.00 O flip ATOM 264 NE2 GLN A 20 -12.030 5.109 4.795 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.400 1.288 3.352 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.350 1.267 1.540 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.575 3.330 3.009 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.076 3.389 2.106 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -14.274 3.673 3.977 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.577 2.243 4.712 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.126 5.400 3.822 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.506 5.688 5.451 1.00 0.00 H new ATOM 273 N LYS A 21 -11.109 0.945 4.593 1.00 0.00 N ATOM 274 CA LYS A 21 -9.938 0.485 5.333 1.00 0.00 C ATOM 275 C LYS A 21 -9.627 -0.982 5.043 1.00 0.00 C ATOM 276 O LYS A 21 -8.497 -1.428 5.226 1.00 0.00 O ATOM 277 CB LYS A 21 -10.142 0.677 6.843 1.00 0.00 C ATOM 278 CG LYS A 21 -11.602 0.754 7.280 1.00 0.00 C ATOM 279 CD LYS A 21 -12.400 -0.467 6.840 1.00 0.00 C ATOM 280 CE LYS A 21 -12.001 -1.710 7.618 1.00 0.00 C ATOM 281 NZ LYS A 21 -12.858 -2.879 7.276 1.00 0.00 N ATOM 0 H LYS A 21 -11.847 1.342 5.175 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.092 1.087 5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.661 -0.148 7.369 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.635 1.591 7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.650 0.846 8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.057 1.653 6.864 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.464 -0.276 6.980 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.244 -0.639 5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.959 -1.950 7.408 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.073 -1.508 8.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.529 -3.056 8.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.384 -2.680 6.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.260 -3.719 7.137 1.00 0.00 H new ATOM 295 N GLN A 22 -10.634 -1.732 4.611 1.00 0.00 N ATOM 296 CA GLN A 22 -10.450 -3.148 4.309 1.00 0.00 C ATOM 297 C GLN A 22 -9.664 -3.354 3.014 1.00 0.00 C ATOM 298 O GLN A 22 -8.477 -3.679 3.040 1.00 0.00 O ATOM 299 CB GLN A 22 -11.804 -3.854 4.211 1.00 0.00 C ATOM 300 CG GLN A 22 -11.694 -5.333 3.878 1.00 0.00 C ATOM 301 CD GLN A 22 -12.914 -5.862 3.149 1.00 0.00 C ATOM 302 OE1 GLN A 22 -13.018 -5.752 1.927 1.00 0.00 O ATOM 303 NE2 GLN A 22 -13.846 -6.440 3.898 1.00 0.00 N ATOM 0 H GLN A 22 -11.582 -1.386 4.462 1.00 0.00 H new ATOM 0 HA GLN A 22 -9.874 -3.582 5.126 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -12.333 -3.741 5.157 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -12.407 -3.362 3.448 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.809 -5.498 3.263 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -11.553 -5.899 4.799 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.718 -6.509 4.908 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.690 -6.814 3.464 1.00 0.00 H new ATOM 312 N MET A 23 -10.353 -3.210 1.887 1.00 0.00 N ATOM 313 CA MET A 23 -9.753 -3.448 0.574 1.00 0.00 C ATOM 314 C MET A 23 -8.713 -2.391 0.196 1.00 0.00 C ATOM 315 O MET A 23 -7.536 -2.510 0.535 1.00 0.00 O ATOM 316 CB MET A 23 -10.839 -3.513 -0.514 1.00 0.00 C ATOM 317 CG MET A 23 -12.190 -2.956 -0.087 1.00 0.00 C ATOM 318 SD MET A 23 -12.267 -1.157 -0.196 1.00 0.00 S ATOM 319 CE MET A 23 -13.926 -0.919 -0.826 1.00 0.00 C ATOM 0 H MET A 23 -11.333 -2.928 1.854 1.00 0.00 H new ATOM 0 HA MET A 23 -9.238 -4.406 0.641 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.493 -2.963 -1.389 1.00 0.00 H new ATOM 0 HB3 MET A 23 -10.968 -4.551 -0.820 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.971 -3.388 -0.713 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.397 -3.263 0.938 1.00 0.00 H new ATOM 0 HE1 MET A 23 -14.021 0.090 -1.228 1.00 0.00 H new ATOM 0 HE2 MET A 23 -14.123 -1.644 -1.616 1.00 0.00 H new ATOM 0 HE3 MET A 23 -14.645 -1.058 -0.019 1.00 0.00 H new ATOM 329 N LEU A 24 -9.157 -1.393 -0.563 1.00 0.00 N ATOM 330 CA LEU A 24 -8.285 -0.352 -1.097 1.00 0.00 C ATOM 331 C LEU A 24 -7.560 0.444 -0.016 1.00 0.00 C ATOM 332 O LEU A 24 -6.801 1.361 -0.330 1.00 0.00 O ATOM 333 CB LEU A 24 -9.125 0.597 -1.972 1.00 0.00 C ATOM 334 CG LEU A 24 -9.657 1.871 -1.296 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.611 2.598 -2.228 1.00 0.00 C ATOM 336 CD2 LEU A 24 -10.345 1.562 0.016 1.00 0.00 C ATOM 0 H LEU A 24 -10.136 -1.283 -0.826 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.510 -0.845 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.520 0.894 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.976 0.037 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.803 2.513 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.982 3.499 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.087 2.872 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.450 1.946 -2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.707 2.487 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.186 0.892 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.638 1.084 0.694 1.00 0.00 H new ATOM 348 N GLY A 25 -7.817 0.136 1.250 1.00 0.00 N ATOM 349 CA GLY A 25 -7.248 0.943 2.305 1.00 0.00 C ATOM 350 C GLY A 25 -7.835 2.327 2.219 1.00 0.00 C ATOM 351 O GLY A 25 -9.045 2.502 2.338 1.00 0.00 O ATOM 0 H GLY A 25 -8.398 -0.643 1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.463 0.501 3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.163 0.985 2.206 1.00 0.00 H new ATOM 355 N GLU A 26 -7.000 3.307 1.947 1.00 0.00 N ATOM 356 CA GLU A 26 -7.506 4.625 1.610 1.00 0.00 C ATOM 357 C GLU A 26 -8.024 4.566 0.175 1.00 0.00 C ATOM 358 O GLU A 26 -9.226 4.619 -0.083 1.00 0.00 O ATOM 359 CB GLU A 26 -6.417 5.692 1.746 1.00 0.00 C ATOM 360 CG GLU A 26 -6.662 6.669 2.885 1.00 0.00 C ATOM 361 CD GLU A 26 -6.532 6.021 4.248 1.00 0.00 C ATOM 362 OE1 GLU A 26 -7.517 5.405 4.708 1.00 0.00 O ATOM 363 OE2 GLU A 26 -5.449 6.132 4.857 1.00 0.00 O ATOM 0 H GLU A 26 -5.984 3.222 1.951 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.306 4.902 2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.456 5.201 1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.345 6.247 0.811 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.953 7.494 2.810 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.660 7.096 2.784 1.00 0.00 H new ATOM 370 N ARG A 27 -7.073 4.411 -0.740 1.00 0.00 N ATOM 371 CA ARG A 27 -7.335 4.230 -2.165 1.00 0.00 C ATOM 372 C ARG A 27 -6.098 3.601 -2.789 1.00 0.00 C ATOM 373 O ARG A 27 -5.959 3.503 -4.005 1.00 0.00 O ATOM 374 CB ARG A 27 -7.639 5.575 -2.832 1.00 0.00 C ATOM 375 CG ARG A 27 -7.967 5.477 -4.316 1.00 0.00 C ATOM 376 CD ARG A 27 -9.138 4.544 -4.576 1.00 0.00 C ATOM 377 NE ARG A 27 -9.850 4.887 -5.804 1.00 0.00 N ATOM 378 CZ ARG A 27 -10.339 3.984 -6.650 1.00 0.00 C ATOM 379 NH1 ARG A 27 -10.192 2.690 -6.402 1.00 0.00 N ATOM 380 NH2 ARG A 27 -10.975 4.377 -7.745 1.00 0.00 N ATOM 0 H ARG A 27 -6.080 4.407 -0.509 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.203 3.586 -2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.478 6.042 -2.316 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.780 6.233 -2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.200 6.469 -4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.091 5.121 -4.859 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.776 3.518 -4.642 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.828 4.585 -3.733 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.980 5.874 -6.026 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.703 2.384 -5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.568 2.000 -7.052 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.089 5.372 -7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.350 3.685 -8.393 1.00 0.00 H new ATOM 394 N LEU A 28 -5.178 3.226 -1.913 1.00 0.00 N ATOM 395 CA LEU A 28 -3.869 2.734 -2.305 1.00 0.00 C ATOM 396 C LEU A 28 -3.913 1.469 -3.158 1.00 0.00 C ATOM 397 O LEU A 28 -3.593 1.511 -4.344 1.00 0.00 O ATOM 398 CB LEU A 28 -3.041 2.500 -1.045 1.00 0.00 C ATOM 399 CG LEU A 28 -2.147 3.682 -0.656 1.00 0.00 C ATOM 400 CD1 LEU A 28 -2.640 4.326 0.631 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.701 3.245 -0.514 1.00 0.00 C ATOM 0 H LEU A 28 -5.321 3.255 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.412 3.494 -2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.714 2.279 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.417 1.619 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.200 4.422 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.992 5.163 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.659 4.686 0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.623 3.591 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.087 4.102 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.626 2.481 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.349 2.838 -1.462 1.00 0.00 H new ATOM 413 N PHE A 29 -4.255 0.346 -2.536 1.00 0.00 N ATOM 414 CA PHE A 29 -4.253 -0.954 -3.211 1.00 0.00 C ATOM 415 C PHE A 29 -4.682 -0.882 -4.689 1.00 0.00 C ATOM 416 O PHE A 29 -4.008 -1.449 -5.543 1.00 0.00 O ATOM 417 CB PHE A 29 -5.130 -1.955 -2.452 1.00 0.00 C ATOM 418 CG PHE A 29 -4.468 -3.290 -2.234 1.00 0.00 C ATOM 419 CD1 PHE A 29 -3.761 -3.911 -3.255 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.552 -3.924 -1.005 1.00 0.00 C ATOM 421 CE1 PHE A 29 -3.154 -5.135 -3.052 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.946 -5.149 -0.797 1.00 0.00 C ATOM 423 CZ PHE A 29 -3.252 -5.757 -1.825 1.00 0.00 C ATOM 0 H PHE A 29 -4.540 0.307 -1.557 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.218 -1.295 -3.207 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.399 -1.530 -1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.058 -2.104 -3.004 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.685 -3.431 -4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.098 -3.455 -0.199 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.603 -5.605 -3.853 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.015 -5.630 0.168 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.786 -6.719 -1.668 1.00 0.00 H new ATOM 433 N PRO A 30 -5.800 -0.197 -5.024 1.00 0.00 N ATOM 434 CA PRO A 30 -6.290 -0.124 -6.412 1.00 0.00 C ATOM 435 C PRO A 30 -5.332 0.598 -7.362 1.00 0.00 C ATOM 436 O PRO A 30 -5.133 0.158 -8.498 1.00 0.00 O ATOM 437 CB PRO A 30 -7.614 0.638 -6.301 1.00 0.00 C ATOM 438 CG PRO A 30 -7.551 1.345 -4.995 1.00 0.00 C ATOM 439 CD PRO A 30 -6.702 0.494 -4.094 1.00 0.00 C ATOM 0 HA PRO A 30 -6.392 -1.122 -6.839 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.733 1.342 -7.124 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.464 -0.043 -6.339 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.119 2.339 -5.112 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.549 1.478 -4.577 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.150 1.098 -3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.305 -0.211 -3.522 1.00 0.00 H new ATOM 447 N LEU A 31 -4.699 1.676 -6.898 1.00 0.00 N ATOM 448 CA LEU A 31 -3.765 2.409 -7.755 1.00 0.00 C ATOM 449 C LEU A 31 -2.523 1.568 -7.977 1.00 0.00 C ATOM 450 O LEU A 31 -2.059 1.396 -9.107 1.00 0.00 O ATOM 451 CB LEU A 31 -3.364 3.753 -7.137 1.00 0.00 C ATOM 452 CG LEU A 31 -4.297 4.275 -6.054 1.00 0.00 C ATOM 453 CD1 LEU A 31 -3.497 4.862 -4.903 1.00 0.00 C ATOM 454 CD2 LEU A 31 -5.252 5.307 -6.626 1.00 0.00 C ATOM 0 H LEU A 31 -4.811 2.054 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.264 2.610 -8.703 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.363 3.656 -6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.305 4.496 -7.932 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.886 3.441 -5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.179 5.231 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.854 4.092 -4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.883 5.685 -5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.911 5.669 -5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.683 6.142 -7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.848 4.852 -7.417 1.00 0.00 H new ATOM 466 N ILE A 32 -2.016 1.000 -6.896 1.00 0.00 N ATOM 467 CA ILE A 32 -0.862 0.131 -6.982 1.00 0.00 C ATOM 468 C ILE A 32 -1.265 -1.208 -7.577 1.00 0.00 C ATOM 469 O ILE A 32 -0.416 -2.003 -7.959 1.00 0.00 O ATOM 470 CB ILE A 32 -0.204 -0.102 -5.614 1.00 0.00 C ATOM 471 CG1 ILE A 32 -0.597 1.008 -4.633 1.00 0.00 C ATOM 472 CG2 ILE A 32 1.305 -0.172 -5.775 1.00 0.00 C ATOM 473 CD1 ILE A 32 0.063 0.891 -3.277 1.00 0.00 C ATOM 0 H ILE A 32 -2.386 1.126 -5.954 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.134 0.627 -7.623 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.556 -1.050 -5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.339 1.973 -5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.679 0.997 -4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.767 -0.337 -4.802 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.562 -0.994 -6.443 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.670 0.765 -6.196 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.266 1.712 -2.640 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.215 -0.058 -2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.146 0.934 -3.394 1.00 0.00 H new ATOM 485 N GLN A 33 -2.571 -1.457 -7.640 1.00 0.00 N ATOM 486 CA GLN A 33 -3.075 -2.690 -8.235 1.00 0.00 C ATOM 487 C GLN A 33 -2.673 -2.732 -9.699 1.00 0.00 C ATOM 488 O GLN A 33 -2.286 -3.776 -10.223 1.00 0.00 O ATOM 489 CB GLN A 33 -4.592 -2.793 -8.086 1.00 0.00 C ATOM 490 CG GLN A 33 -5.221 -3.884 -8.940 1.00 0.00 C ATOM 491 CD GLN A 33 -6.296 -3.352 -9.868 1.00 0.00 C ATOM 492 OE1 GLN A 33 -6.969 -2.369 -9.558 1.00 0.00 O ATOM 493 NE2 GLN A 33 -6.462 -4.000 -11.016 1.00 0.00 N ATOM 0 H GLN A 33 -3.293 -0.827 -7.290 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.640 -3.543 -7.714 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.833 -2.980 -7.039 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -5.039 -1.835 -8.350 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.445 -4.371 -9.531 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.652 -4.646 -8.290 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.882 -4.811 -11.233 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.170 -3.687 -11.681 1.00 0.00 H new ATOM 502 N ALA A 34 -2.720 -1.572 -10.342 1.00 0.00 N ATOM 503 CA ALA A 34 -2.262 -1.454 -11.716 1.00 0.00 C ATOM 504 C ALA A 34 -0.745 -1.598 -11.742 1.00 0.00 C ATOM 505 O ALA A 34 -0.170 -2.136 -12.688 1.00 0.00 O ATOM 506 CB ALA A 34 -2.691 -0.126 -12.318 1.00 0.00 C ATOM 0 H ALA A 34 -3.069 -0.705 -9.934 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.712 -2.243 -12.318 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.336 -0.061 -13.347 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.779 -0.055 -12.304 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.266 0.692 -11.736 1.00 0.00 H new ATOM 512 N MET A 35 -0.118 -1.159 -10.652 1.00 0.00 N ATOM 513 CA MET A 35 1.330 -1.262 -10.490 1.00 0.00 C ATOM 514 C MET A 35 1.673 -2.454 -9.600 1.00 0.00 C ATOM 515 O MET A 35 2.691 -2.457 -8.908 1.00 0.00 O ATOM 516 CB MET A 35 1.874 0.024 -9.867 1.00 0.00 C ATOM 517 CG MET A 35 1.187 1.271 -10.389 1.00 0.00 C ATOM 518 SD MET A 35 1.804 2.785 -9.631 1.00 0.00 S ATOM 519 CE MET A 35 0.262 3.630 -9.292 1.00 0.00 C ATOM 0 H MET A 35 -0.596 -0.725 -9.862 1.00 0.00 H new ATOM 0 HA MET A 35 1.787 -1.408 -11.469 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.754 -0.024 -8.785 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.943 0.094 -10.067 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.324 1.330 -11.469 1.00 0.00 H new ATOM 0 HG3 MET A 35 0.115 1.191 -10.208 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.465 4.670 -9.038 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.376 3.590 -10.175 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.243 3.145 -8.457 1.00 0.00 H new ATOM 529 N HIS A 36 0.789 -3.451 -9.605 1.00 0.00 N ATOM 530 CA HIS A 36 0.937 -4.625 -8.749 1.00 0.00 C ATOM 531 C HIS A 36 2.150 -5.499 -9.103 1.00 0.00 C ATOM 532 O HIS A 36 2.703 -6.141 -8.209 1.00 0.00 O ATOM 533 CB HIS A 36 -0.350 -5.459 -8.768 1.00 0.00 C ATOM 534 CG HIS A 36 -0.406 -6.488 -9.856 1.00 0.00 C ATOM 535 ND1 HIS A 36 -0.840 -6.169 -11.121 1.00 0.00 N ATOM 536 CD2 HIS A 36 -0.085 -7.805 -9.817 1.00 0.00 C ATOM 537 CE1 HIS A 36 -0.771 -7.287 -11.821 1.00 0.00 C ATOM 538 NE2 HIS A 36 -0.317 -8.303 -11.072 1.00 0.00 N ATOM 0 H HIS A 36 -0.042 -3.468 -10.197 1.00 0.00 H new ATOM 0 HA HIS A 36 1.120 -4.250 -7.742 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.458 -5.959 -7.806 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -1.202 -4.788 -8.876 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -1.152 -5.256 -11.451 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.282 -8.354 -8.963 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -1.045 -7.372 -12.862 1.00 0.00 H new ATOM 546 N PRO A 37 2.586 -5.573 -10.390 1.00 0.00 N ATOM 547 CA PRO A 37 3.741 -6.389 -10.780 1.00 0.00 C ATOM 548 C PRO A 37 4.864 -6.326 -9.747 1.00 0.00 C ATOM 549 O PRO A 37 5.617 -7.283 -9.574 1.00 0.00 O ATOM 550 CB PRO A 37 4.196 -5.776 -12.115 1.00 0.00 C ATOM 551 CG PRO A 37 3.245 -4.654 -12.408 1.00 0.00 C ATOM 552 CD PRO A 37 2.027 -4.888 -11.561 1.00 0.00 C ATOM 0 HA PRO A 37 3.482 -7.445 -10.859 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.220 -5.410 -12.046 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.177 -6.520 -12.911 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.699 -3.691 -12.175 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.983 -4.635 -13.466 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.535 -3.954 -11.289 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.286 -5.500 -12.075 1.00 0.00 H new ATOM 560 N THR A 38 4.943 -5.201 -9.041 1.00 0.00 N ATOM 561 CA THR A 38 5.932 -5.023 -7.988 1.00 0.00 C ATOM 562 C THR A 38 5.492 -5.746 -6.717 1.00 0.00 C ATOM 563 O THR A 38 5.899 -6.882 -6.469 1.00 0.00 O ATOM 564 CB THR A 38 6.136 -3.532 -7.707 1.00 0.00 C ATOM 565 OG1 THR A 38 6.441 -2.839 -8.904 1.00 0.00 O ATOM 566 CG2 THR A 38 7.245 -3.248 -6.717 1.00 0.00 C ATOM 0 H THR A 38 4.330 -4.398 -9.182 1.00 0.00 H new ATOM 0 HA THR A 38 6.878 -5.452 -8.320 1.00 0.00 H new ATOM 0 HB THR A 38 5.196 -3.189 -7.275 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.759 -2.154 -9.068 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.332 -2.172 -6.567 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.016 -3.730 -5.766 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.187 -3.638 -7.104 1.00 0.00 H new ATOM 574 N LEU A 39 4.652 -5.088 -5.918 1.00 0.00 N ATOM 575 CA LEU A 39 4.148 -5.682 -4.681 1.00 0.00 C ATOM 576 C LEU A 39 3.042 -4.826 -4.062 1.00 0.00 C ATOM 577 O LEU A 39 3.066 -4.555 -2.861 1.00 0.00 O ATOM 578 CB LEU A 39 5.290 -5.861 -3.676 1.00 0.00 C ATOM 579 CG LEU A 39 5.319 -7.215 -2.964 1.00 0.00 C ATOM 580 CD1 LEU A 39 6.741 -7.752 -2.894 1.00 0.00 C ATOM 581 CD2 LEU A 39 4.722 -7.097 -1.569 1.00 0.00 C ATOM 0 H LEU A 39 4.307 -4.146 -6.105 1.00 0.00 H new ATOM 0 HA LEU A 39 3.727 -6.657 -4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.237 -5.721 -4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.220 -5.074 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 39 4.715 -7.918 -3.538 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.741 -8.715 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.133 -7.875 -3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.368 -7.050 -2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.751 -8.069 -1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.298 -6.379 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.689 -6.758 -1.643 1.00 0.00 H new ATOM 593 N ALA A 40 2.070 -4.423 -4.886 1.00 0.00 N ATOM 594 CA ALA A 40 0.952 -3.586 -4.432 1.00 0.00 C ATOM 595 C ALA A 40 0.490 -3.963 -3.025 1.00 0.00 C ATOM 596 O ALA A 40 0.146 -3.095 -2.222 1.00 0.00 O ATOM 597 CB ALA A 40 -0.212 -3.682 -5.410 1.00 0.00 C ATOM 0 H ALA A 40 2.034 -4.664 -5.877 1.00 0.00 H new ATOM 0 HA ALA A 40 1.309 -2.557 -4.396 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.033 -3.056 -5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.110 -3.341 -6.394 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.547 -4.717 -5.476 1.00 0.00 H new ATOM 603 N GLY A 41 0.497 -5.261 -2.734 1.00 0.00 N ATOM 604 CA GLY A 41 0.065 -5.747 -1.435 1.00 0.00 C ATOM 605 C GLY A 41 0.677 -5.000 -0.268 1.00 0.00 C ATOM 606 O GLY A 41 -0.044 -4.451 0.566 1.00 0.00 O ATOM 0 H GLY A 41 0.797 -5.990 -3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.021 -5.673 -1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.318 -6.804 -1.350 1.00 0.00 H new ATOM 610 N LYS A 42 2.000 -5.015 -0.171 1.00 0.00 N ATOM 611 CA LYS A 42 2.677 -4.369 0.946 1.00 0.00 C ATOM 612 C LYS A 42 2.739 -2.854 0.781 1.00 0.00 C ATOM 613 O LYS A 42 2.737 -2.122 1.770 1.00 0.00 O ATOM 614 CB LYS A 42 4.092 -4.931 1.138 1.00 0.00 C ATOM 615 CG LYS A 42 4.689 -4.651 2.516 1.00 0.00 C ATOM 616 CD LYS A 42 3.616 -4.457 3.582 1.00 0.00 C ATOM 617 CE LYS A 42 4.196 -3.896 4.870 1.00 0.00 C ATOM 618 NZ LYS A 42 4.879 -4.945 5.675 1.00 0.00 N ATOM 0 H LYS A 42 2.621 -5.463 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 42 2.086 -4.587 1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.069 -6.009 0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.747 -4.507 0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.338 -5.478 2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.313 -3.759 2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.847 -3.782 3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.130 -5.411 3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.904 -3.102 4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.398 -3.446 5.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.737 -4.753 6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.481 -5.877 5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.897 -4.939 5.461 1.00 0.00 H new ATOM 632 N ILE A 43 2.804 -2.384 -0.461 1.00 0.00 N ATOM 633 CA ILE A 43 2.883 -0.948 -0.716 1.00 0.00 C ATOM 634 C ILE A 43 1.744 -0.206 -0.031 1.00 0.00 C ATOM 635 O ILE A 43 1.977 0.713 0.755 1.00 0.00 O ATOM 636 CB ILE A 43 2.849 -0.611 -2.217 1.00 0.00 C ATOM 637 CG1 ILE A 43 3.529 -1.712 -3.041 1.00 0.00 C ATOM 638 CG2 ILE A 43 3.504 0.746 -2.447 1.00 0.00 C ATOM 639 CD1 ILE A 43 4.061 -1.252 -4.383 1.00 0.00 C ATOM 0 H ILE A 43 2.804 -2.967 -1.298 1.00 0.00 H new ATOM 0 HA ILE A 43 3.841 -0.626 -0.308 1.00 0.00 H new ATOM 0 HB ILE A 43 1.812 -0.557 -2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.353 -2.127 -2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.815 -2.520 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.481 0.986 -3.510 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.962 1.511 -1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.539 0.713 -2.105 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.525 -2.093 -4.898 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.240 -0.865 -4.987 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.801 -0.466 -4.231 1.00 0.00 H new ATOM 651 N THR A 44 0.513 -0.606 -0.337 1.00 0.00 N ATOM 652 CA THR A 44 -0.660 0.031 0.240 1.00 0.00 C ATOM 653 C THR A 44 -0.516 0.180 1.750 1.00 0.00 C ATOM 654 O THR A 44 -0.694 1.268 2.289 1.00 0.00 O ATOM 655 CB THR A 44 -1.926 -0.760 -0.101 1.00 0.00 C ATOM 656 OG1 THR A 44 -3.076 -0.114 0.416 1.00 0.00 O ATOM 657 CG2 THR A 44 -1.920 -2.174 0.433 1.00 0.00 C ATOM 0 H THR A 44 0.305 -1.369 -0.982 1.00 0.00 H new ATOM 0 HA THR A 44 -0.747 1.028 -0.192 1.00 0.00 H new ATOM 0 HB THR A 44 -1.948 -0.803 -1.190 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.874 -0.634 0.186 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.848 -2.673 0.153 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.074 -2.718 0.013 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.834 -2.152 1.519 1.00 0.00 H new ATOM 665 N GLY A 45 -0.143 -0.911 2.416 1.00 0.00 N ATOM 666 CA GLY A 45 0.014 -0.893 3.861 1.00 0.00 C ATOM 667 C GLY A 45 0.860 0.265 4.367 1.00 0.00 C ATOM 668 O GLY A 45 0.377 1.100 5.131 1.00 0.00 O ATOM 0 H GLY A 45 0.054 -1.811 1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.971 -0.842 4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.468 -1.831 4.180 1.00 0.00 H new ATOM 672 N MET A 46 2.124 0.309 3.956 1.00 0.00 N ATOM 673 CA MET A 46 3.044 1.354 4.419 1.00 0.00 C ATOM 674 C MET A 46 2.494 2.754 4.152 1.00 0.00 C ATOM 675 O MET A 46 2.271 3.527 5.084 1.00 0.00 O ATOM 676 CB MET A 46 4.427 1.220 3.766 1.00 0.00 C ATOM 677 CG MET A 46 4.571 0.043 2.815 1.00 0.00 C ATOM 678 SD MET A 46 5.694 -1.221 3.443 1.00 0.00 S ATOM 679 CE MET A 46 6.981 -1.182 2.200 1.00 0.00 C ATOM 0 H MET A 46 2.537 -0.361 3.307 1.00 0.00 H new ATOM 0 HA MET A 46 3.145 1.217 5.496 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.647 2.138 3.221 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.177 1.128 4.552 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.591 -0.401 2.641 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.935 0.401 1.852 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.432 -2.170 2.112 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.552 -0.892 1.241 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.744 -0.459 2.489 1.00 0.00 H new ATOM 689 N LEU A 47 2.307 3.087 2.880 1.00 0.00 N ATOM 690 CA LEU A 47 1.831 4.415 2.500 1.00 0.00 C ATOM 691 C LEU A 47 0.371 4.629 2.887 1.00 0.00 C ATOM 692 O LEU A 47 -0.196 5.687 2.613 1.00 0.00 O ATOM 693 CB LEU A 47 2.006 4.641 0.992 1.00 0.00 C ATOM 694 CG LEU A 47 3.437 4.503 0.452 1.00 0.00 C ATOM 695 CD1 LEU A 47 4.445 5.141 1.399 1.00 0.00 C ATOM 696 CD2 LEU A 47 3.782 3.041 0.213 1.00 0.00 C ATOM 0 H LEU A 47 2.477 2.458 2.095 1.00 0.00 H new ATOM 0 HA LEU A 47 2.434 5.140 3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.369 3.933 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.642 5.640 0.750 1.00 0.00 H new ATOM 0 HG LEU A 47 3.487 5.031 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.449 5.028 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.217 6.201 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.391 4.651 2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.800 2.965 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.705 2.491 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.089 2.618 -0.514 1.00 0.00 H new ATOM 708 N LEU A 48 -0.238 3.634 3.525 1.00 0.00 N ATOM 709 CA LEU A 48 -1.633 3.749 3.936 1.00 0.00 C ATOM 710 C LEU A 48 -1.803 4.812 5.010 1.00 0.00 C ATOM 711 O LEU A 48 -2.925 5.197 5.339 1.00 0.00 O ATOM 712 CB LEU A 48 -2.178 2.415 4.428 1.00 0.00 C ATOM 713 CG LEU A 48 -3.368 1.895 3.629 1.00 0.00 C ATOM 714 CD1 LEU A 48 -3.329 0.385 3.549 1.00 0.00 C ATOM 715 CD2 LEU A 48 -4.670 2.369 4.245 1.00 0.00 C ATOM 0 H LEU A 48 0.207 2.748 3.766 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.204 4.050 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.380 1.674 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.473 2.518 5.472 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.307 2.293 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.185 0.029 2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.408 0.070 3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.366 -0.034 4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.508 1.988 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.743 2.001 5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.695 3.459 4.248 1.00 0.00 H new ATOM 727 N GLU A 49 -0.687 5.318 5.521 1.00 0.00 N ATOM 728 CA GLU A 49 -0.725 6.390 6.504 1.00 0.00 C ATOM 729 C GLU A 49 -1.076 7.703 5.813 1.00 0.00 C ATOM 730 O GLU A 49 -0.917 8.786 6.375 1.00 0.00 O ATOM 731 CB GLU A 49 0.618 6.504 7.224 1.00 0.00 C ATOM 732 CG GLU A 49 0.858 5.391 8.231 1.00 0.00 C ATOM 733 CD GLU A 49 0.943 5.904 9.656 1.00 0.00 C ATOM 734 OE1 GLU A 49 0.154 6.806 10.010 1.00 0.00 O ATOM 735 OE2 GLU A 49 1.795 5.403 10.419 1.00 0.00 O ATOM 0 H GLU A 49 0.251 5.004 5.271 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.489 6.165 7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.420 6.495 6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.667 7.465 7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.052 4.660 8.159 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.783 4.871 7.980 1.00 0.00 H new ATOM 742 N ILE A 50 -1.594 7.577 4.593 1.00 0.00 N ATOM 743 CA ILE A 50 -1.985 8.718 3.783 1.00 0.00 C ATOM 744 C ILE A 50 -3.380 9.207 4.181 1.00 0.00 C ATOM 745 O ILE A 50 -4.126 8.497 4.855 1.00 0.00 O ATOM 746 CB ILE A 50 -1.953 8.338 2.281 1.00 0.00 C ATOM 747 CG1 ILE A 50 -1.062 9.301 1.499 1.00 0.00 C ATOM 748 CG2 ILE A 50 -3.351 8.291 1.677 1.00 0.00 C ATOM 749 CD1 ILE A 50 -0.673 8.777 0.133 1.00 0.00 C ATOM 0 H ILE A 50 -1.753 6.676 4.141 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.277 9.528 3.956 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.532 7.335 2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.581 10.252 1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.159 9.500 2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.283 8.021 0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.950 7.549 2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.821 9.270 1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.041 9.508 -0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.127 7.840 0.245 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.571 8.605 -0.460 1.00 0.00 H new ATOM 761 N ASP A 51 -3.714 10.429 3.781 1.00 0.00 N ATOM 762 CA ASP A 51 -5.003 11.022 4.118 1.00 0.00 C ATOM 763 C ASP A 51 -6.148 10.356 3.366 1.00 0.00 C ATOM 764 O ASP A 51 -5.941 9.724 2.330 1.00 0.00 O ATOM 765 CB ASP A 51 -4.994 12.514 3.789 1.00 0.00 C ATOM 766 CG ASP A 51 -4.316 13.342 4.864 1.00 0.00 C ATOM 767 OD1 ASP A 51 -5.004 13.750 5.822 1.00 0.00 O ATOM 768 OD2 ASP A 51 -3.095 13.578 4.748 1.00 0.00 O ATOM 0 H ASP A 51 -3.108 11.030 3.222 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.160 10.871 5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.483 12.670 2.839 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.019 12.861 3.661 1.00 0.00 H new ATOM 773 N ASN A 52 -7.362 10.536 3.877 1.00 0.00 N ATOM 774 CA ASN A 52 -8.552 10.004 3.226 1.00 0.00 C ATOM 775 C ASN A 52 -9.094 11.026 2.231 1.00 0.00 C ATOM 776 O ASN A 52 -9.686 10.673 1.213 1.00 0.00 O ATOM 777 CB ASN A 52 -9.620 9.644 4.260 1.00 0.00 C ATOM 778 CG ASN A 52 -9.483 8.220 4.764 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.151 7.285 4.095 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -8.787 7.962 5.745 1.00 0.00 N flip ATOM 0 H ASN A 52 -7.547 11.047 4.740 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.283 9.094 2.690 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -9.552 10.332 5.102 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.608 9.776 3.819 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.291 8.710 6.229 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.706 7.000 6.074 1.00 0.00 H new ATOM 787 N SER A 53 -8.865 12.301 2.522 1.00 0.00 N ATOM 788 CA SER A 53 -9.271 13.364 1.616 1.00 0.00 C ATOM 789 C SER A 53 -8.336 13.386 0.415 1.00 0.00 C ATOM 790 O SER A 53 -8.736 13.716 -0.703 1.00 0.00 O ATOM 791 CB SER A 53 -9.246 14.718 2.329 1.00 0.00 C ATOM 792 OG SER A 53 -10.560 15.197 2.561 1.00 0.00 O ATOM 0 H SER A 53 -8.403 12.621 3.373 1.00 0.00 H new ATOM 0 HA SER A 53 -10.291 13.175 1.280 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.717 14.623 3.278 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.694 15.439 1.727 1.00 0.00 H new ATOM 0 HG SER A 53 -10.517 16.062 3.019 1.00 0.00 H new ATOM 798 N GLU A 54 -7.088 12.991 0.658 1.00 0.00 N ATOM 799 CA GLU A 54 -6.084 12.936 -0.391 1.00 0.00 C ATOM 800 C GLU A 54 -6.272 11.690 -1.252 1.00 0.00 C ATOM 801 O GLU A 54 -5.951 11.696 -2.439 1.00 0.00 O ATOM 802 CB GLU A 54 -4.676 12.962 0.220 1.00 0.00 C ATOM 803 CG GLU A 54 -4.035 11.590 0.364 1.00 0.00 C ATOM 804 CD GLU A 54 -3.150 11.236 -0.815 1.00 0.00 C ATOM 805 OE1 GLU A 54 -2.485 12.147 -1.352 1.00 0.00 O ATOM 806 OE2 GLU A 54 -3.131 10.050 -1.208 1.00 0.00 O ATOM 0 H GLU A 54 -6.751 12.704 1.577 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.202 13.811 -1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.034 13.588 -0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.727 13.432 1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.443 11.563 1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.816 10.837 0.467 1.00 0.00 H new ATOM 813 N LEU A 55 -6.816 10.629 -0.654 1.00 0.00 N ATOM 814 CA LEU A 55 -7.053 9.390 -1.384 1.00 0.00 C ATOM 815 C LEU A 55 -7.969 9.660 -2.566 1.00 0.00 C ATOM 816 O LEU A 55 -7.695 9.238 -3.688 1.00 0.00 O ATOM 817 CB LEU A 55 -7.639 8.315 -0.452 1.00 0.00 C ATOM 818 CG LEU A 55 -9.166 8.321 -0.258 1.00 0.00 C ATOM 819 CD1 LEU A 55 -9.881 7.626 -1.408 1.00 0.00 C ATOM 820 CD2 LEU A 55 -9.532 7.655 1.058 1.00 0.00 C ATOM 0 H LEU A 55 -7.098 10.605 0.326 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.105 9.010 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.350 7.337 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.172 8.423 0.527 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.492 9.361 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.957 7.650 -1.235 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.652 8.139 -2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.547 6.590 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.615 7.666 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.178 6.624 1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.066 8.196 1.882 1.00 0.00 H new ATOM 832 N LEU A 56 -9.023 10.424 -2.313 1.00 0.00 N ATOM 833 CA LEU A 56 -9.960 10.805 -3.359 1.00 0.00 C ATOM 834 C LEU A 56 -9.233 11.537 -4.482 1.00 0.00 C ATOM 835 O LEU A 56 -9.374 11.200 -5.658 1.00 0.00 O ATOM 836 CB LEU A 56 -11.059 11.695 -2.778 1.00 0.00 C ATOM 837 CG LEU A 56 -12.271 11.913 -3.683 1.00 0.00 C ATOM 838 CD1 LEU A 56 -13.517 12.147 -2.844 1.00 0.00 C ATOM 839 CD2 LEU A 56 -12.033 13.083 -4.625 1.00 0.00 C ATOM 0 H LEU A 56 -9.250 10.793 -1.389 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.413 9.902 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.401 11.256 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.627 12.666 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 56 -12.420 11.017 -4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.374 12.301 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.697 11.279 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.375 13.029 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.907 13.222 -5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.860 13.989 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.161 12.878 -5.246 1.00 0.00 H new ATOM 851 N HIS A 57 -8.429 12.524 -4.104 1.00 0.00 N ATOM 852 CA HIS A 57 -7.676 13.314 -5.074 1.00 0.00 C ATOM 853 C HIS A 57 -6.780 12.433 -5.947 1.00 0.00 C ATOM 854 O HIS A 57 -6.405 12.823 -7.053 1.00 0.00 O ATOM 855 CB HIS A 57 -6.825 14.361 -4.350 1.00 0.00 C ATOM 856 CG HIS A 57 -6.678 15.643 -5.108 1.00 0.00 C ATOM 857 ND1 HIS A 57 -7.335 16.787 -4.718 1.00 0.00 N ATOM 858 CD2 HIS A 57 -5.944 15.910 -6.216 1.00 0.00 C ATOM 859 CE1 HIS A 57 -6.989 17.718 -5.590 1.00 0.00 C ATOM 860 NE2 HIS A 57 -6.148 17.231 -6.514 1.00 0.00 N ATOM 0 H HIS A 57 -8.281 12.797 -3.133 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.395 13.812 -5.725 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -7.273 14.572 -3.379 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.835 13.945 -4.161 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.320 15.216 -6.758 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -7.339 18.739 -5.562 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.738 17.747 -7.292 1.00 0.00 H new ATOM 868 N MET A 58 -6.443 11.244 -5.449 1.00 0.00 N ATOM 869 CA MET A 58 -5.570 10.326 -6.178 1.00 0.00 C ATOM 870 C MET A 58 -6.269 9.718 -7.392 1.00 0.00 C ATOM 871 O MET A 58 -5.747 9.791 -8.505 1.00 0.00 O ATOM 872 CB MET A 58 -5.076 9.222 -5.245 1.00 0.00 C ATOM 873 CG MET A 58 -4.027 9.686 -4.242 1.00 0.00 C ATOM 874 SD MET A 58 -3.739 11.469 -4.273 1.00 0.00 S ATOM 875 CE MET A 58 -2.290 11.570 -5.317 1.00 0.00 C ATOM 0 H MET A 58 -6.761 10.895 -4.545 1.00 0.00 H new ATOM 0 HA MET A 58 -4.718 10.900 -6.544 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.927 8.811 -4.702 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.659 8.413 -5.844 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.340 9.394 -3.240 1.00 0.00 H new ATOM 0 HG3 MET A 58 -3.088 9.171 -4.446 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.702 12.445 -5.039 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.686 10.671 -5.190 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.598 11.656 -6.359 1.00 0.00 H new ATOM 885 N LEU A 59 -7.441 9.112 -7.191 1.00 0.00 N ATOM 886 CA LEU A 59 -8.158 8.513 -8.318 1.00 0.00 C ATOM 887 C LEU A 59 -8.662 9.593 -9.272 1.00 0.00 C ATOM 888 O LEU A 59 -9.118 9.297 -10.377 1.00 0.00 O ATOM 889 CB LEU A 59 -9.282 7.558 -7.884 1.00 0.00 C ATOM 890 CG LEU A 59 -10.333 8.077 -6.900 1.00 0.00 C ATOM 891 CD1 LEU A 59 -9.760 8.212 -5.500 1.00 0.00 C ATOM 892 CD2 LEU A 59 -10.953 9.383 -7.367 1.00 0.00 C ATOM 0 H LEU A 59 -7.903 9.024 -6.286 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.441 7.891 -8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.802 7.226 -8.783 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.818 6.677 -7.441 1.00 0.00 H new ATOM 0 HG LEU A 59 -11.131 7.335 -6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.532 8.583 -4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.412 7.239 -5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.924 8.912 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.693 9.715 -6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -10.175 10.140 -7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.436 9.232 -8.332 1.00 0.00 H new ATOM 904 N GLU A 60 -8.514 10.852 -8.863 1.00 0.00 N ATOM 905 CA GLU A 60 -8.879 11.981 -9.713 1.00 0.00 C ATOM 906 C GLU A 60 -7.634 12.552 -10.381 1.00 0.00 C ATOM 907 O GLU A 60 -7.724 13.370 -11.296 1.00 0.00 O ATOM 908 CB GLU A 60 -9.569 13.080 -8.902 1.00 0.00 C ATOM 909 CG GLU A 60 -10.700 12.577 -8.028 1.00 0.00 C ATOM 910 CD GLU A 60 -11.907 13.494 -8.049 1.00 0.00 C ATOM 911 OE1 GLU A 60 -11.715 14.728 -8.035 1.00 0.00 O ATOM 912 OE2 GLU A 60 -13.044 12.978 -8.081 1.00 0.00 O ATOM 0 H GLU A 60 -8.144 11.114 -7.949 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.573 11.621 -10.472 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.828 13.574 -8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.959 13.833 -9.587 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.998 11.583 -8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.344 12.475 -7.003 1.00 0.00 H new ATOM 919 N SER A 61 -6.473 12.108 -9.910 1.00 0.00 N ATOM 920 CA SER A 61 -5.196 12.578 -10.434 1.00 0.00 C ATOM 921 C SER A 61 -4.355 11.419 -10.957 1.00 0.00 C ATOM 922 O SER A 61 -3.506 10.893 -10.244 1.00 0.00 O ATOM 923 CB SER A 61 -4.415 13.316 -9.343 1.00 0.00 C ATOM 924 OG SER A 61 -4.804 14.676 -9.264 1.00 0.00 O ATOM 0 H SER A 61 -6.391 11.419 -9.162 1.00 0.00 H new ATOM 0 HA SER A 61 -5.407 13.258 -11.259 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.582 12.831 -8.381 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.347 13.252 -9.551 1.00 0.00 H new ATOM 0 HG SER A 61 -4.291 15.123 -8.559 1.00 0.00 H new ATOM 930 N PRO A 62 -4.562 11.012 -12.220 1.00 0.00 N ATOM 931 CA PRO A 62 -3.787 9.929 -12.827 1.00 0.00 C ATOM 932 C PRO A 62 -2.305 10.277 -12.912 1.00 0.00 C ATOM 933 O PRO A 62 -1.444 9.405 -12.806 1.00 0.00 O ATOM 934 CB PRO A 62 -4.386 9.791 -14.230 1.00 0.00 C ATOM 935 CG PRO A 62 -5.046 11.102 -14.495 1.00 0.00 C ATOM 936 CD PRO A 62 -5.539 11.588 -13.162 1.00 0.00 C ATOM 0 HA PRO A 62 -3.841 9.010 -12.244 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.614 9.580 -14.970 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.103 8.971 -14.275 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -4.345 11.811 -14.935 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.870 10.990 -15.200 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.557 12.677 -13.110 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.552 11.242 -12.955 1.00 0.00 H new ATOM 944 N GLU A 63 -2.022 11.560 -13.116 1.00 0.00 N ATOM 945 CA GLU A 63 -0.648 12.038 -13.219 1.00 0.00 C ATOM 946 C GLU A 63 0.003 12.168 -11.845 1.00 0.00 C ATOM 947 O GLU A 63 1.140 11.741 -11.645 1.00 0.00 O ATOM 948 CB GLU A 63 -0.611 13.386 -13.942 1.00 0.00 C ATOM 949 CG GLU A 63 -1.254 13.359 -15.319 1.00 0.00 C ATOM 950 CD GLU A 63 -1.028 14.641 -16.096 1.00 0.00 C ATOM 951 OE1 GLU A 63 -1.241 15.729 -15.522 1.00 0.00 O ATOM 952 OE2 GLU A 63 -0.634 14.557 -17.278 1.00 0.00 O ATOM 0 H GLU A 63 -2.729 12.289 -13.213 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.083 11.303 -13.793 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.118 14.131 -13.329 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.426 13.707 -14.041 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.852 12.520 -15.887 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.325 13.188 -15.212 1.00 0.00 H new ATOM 959 N SER A 64 -0.714 12.783 -10.907 1.00 0.00 N ATOM 960 CA SER A 64 -0.188 13.002 -9.564 1.00 0.00 C ATOM 961 C SER A 64 -0.103 11.700 -8.776 1.00 0.00 C ATOM 962 O SER A 64 0.951 11.348 -8.249 1.00 0.00 O ATOM 963 CB SER A 64 -1.072 13.998 -8.810 1.00 0.00 C ATOM 964 OG SER A 64 -1.500 15.048 -9.661 1.00 0.00 O ATOM 0 H SER A 64 -1.659 13.138 -11.053 1.00 0.00 H new ATOM 0 HA SER A 64 0.819 13.406 -9.666 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.940 13.481 -8.401 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.520 14.412 -7.966 1.00 0.00 H new ATOM 0 HG SER A 64 -2.064 15.669 -9.155 1.00 0.00 H new ATOM 970 N LEU A 65 -1.229 11.007 -8.685 1.00 0.00 N ATOM 971 CA LEU A 65 -1.312 9.767 -7.924 1.00 0.00 C ATOM 972 C LEU A 65 -0.318 8.726 -8.431 1.00 0.00 C ATOM 973 O LEU A 65 0.550 8.285 -7.680 1.00 0.00 O ATOM 974 CB LEU A 65 -2.755 9.235 -7.966 1.00 0.00 C ATOM 975 CG LEU A 65 -2.982 7.764 -7.568 1.00 0.00 C ATOM 976 CD1 LEU A 65 -2.903 6.866 -8.790 1.00 0.00 C ATOM 977 CD2 LEU A 65 -2.014 7.300 -6.489 1.00 0.00 C ATOM 0 H LEU A 65 -2.103 11.284 -9.131 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.042 9.975 -6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.363 9.859 -7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.135 9.372 -8.978 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.983 7.694 -7.143 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.066 5.830 -8.492 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.668 7.161 -9.508 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.919 6.961 -9.249 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.215 6.257 -6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.991 7.396 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.142 7.914 -5.597 1.00 0.00 H new ATOM 989 N ARG A 66 -0.460 8.303 -9.682 1.00 0.00 N ATOM 990 CA ARG A 66 0.414 7.268 -10.223 1.00 0.00 C ATOM 991 C ARG A 66 1.885 7.598 -9.977 1.00 0.00 C ATOM 992 O ARG A 66 2.686 6.710 -9.691 1.00 0.00 O ATOM 993 CB ARG A 66 0.161 7.066 -11.713 1.00 0.00 C ATOM 994 CG ARG A 66 0.405 5.636 -12.170 1.00 0.00 C ATOM 995 CD ARG A 66 -0.746 5.116 -13.015 1.00 0.00 C ATOM 996 NE ARG A 66 -1.844 4.614 -12.194 1.00 0.00 N ATOM 997 CZ ARG A 66 -2.921 4.012 -12.693 1.00 0.00 C ATOM 998 NH1 ARG A 66 -3.043 3.840 -14.003 1.00 0.00 N ATOM 999 NH2 ARG A 66 -3.878 3.583 -11.881 1.00 0.00 N ATOM 0 H ARG A 66 -1.162 8.655 -10.333 1.00 0.00 H new ATOM 0 HA ARG A 66 0.182 6.339 -9.702 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.868 7.344 -11.942 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.806 7.737 -12.280 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.330 5.590 -12.745 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.538 4.993 -11.300 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.112 5.915 -13.660 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.387 4.319 -13.666 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.782 4.731 -11.183 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.310 4.170 -14.631 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.870 3.378 -14.382 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.789 3.714 -10.873 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.703 3.122 -12.264 1.00 0.00 H new ATOM 1013 N SER A 67 2.231 8.879 -10.071 1.00 0.00 N ATOM 1014 CA SER A 67 3.600 9.316 -9.817 1.00 0.00 C ATOM 1015 C SER A 67 3.931 9.174 -8.335 1.00 0.00 C ATOM 1016 O SER A 67 5.058 8.847 -7.959 1.00 0.00 O ATOM 1017 CB SER A 67 3.789 10.768 -10.256 1.00 0.00 C ATOM 1018 OG SER A 67 5.134 11.020 -10.625 1.00 0.00 O ATOM 0 H SER A 67 1.586 9.629 -10.320 1.00 0.00 H new ATOM 0 HA SER A 67 4.276 8.685 -10.395 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.131 10.985 -11.098 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.500 11.437 -9.445 1.00 0.00 H new ATOM 0 HG SER A 67 5.227 11.955 -10.903 1.00 0.00 H new ATOM 1024 N LYS A 68 2.926 9.404 -7.500 1.00 0.00 N ATOM 1025 CA LYS A 68 3.084 9.280 -6.061 1.00 0.00 C ATOM 1026 C LYS A 68 3.354 7.830 -5.686 1.00 0.00 C ATOM 1027 O LYS A 68 4.385 7.510 -5.094 1.00 0.00 O ATOM 1028 CB LYS A 68 1.824 9.780 -5.352 1.00 0.00 C ATOM 1029 CG LYS A 68 2.077 10.267 -3.938 1.00 0.00 C ATOM 1030 CD LYS A 68 1.175 11.437 -3.587 1.00 0.00 C ATOM 1031 CE LYS A 68 -0.043 10.982 -2.805 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.130 11.200 -1.343 1.00 0.00 N ATOM 0 H LYS A 68 1.990 9.678 -7.798 1.00 0.00 H new ATOM 0 HA LYS A 68 3.932 9.887 -5.746 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.387 10.591 -5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.089 8.976 -5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.908 9.451 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.120 10.566 -3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.734 12.166 -3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.856 11.939 -4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.922 11.524 -3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.225 9.924 -2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.780 11.055 -0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.830 10.526 -0.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.461 12.171 -1.174 1.00 0.00 H new ATOM 1046 N VAL A 69 2.437 6.951 -6.072 1.00 0.00 N ATOM 1047 CA VAL A 69 2.583 5.527 -5.810 1.00 0.00 C ATOM 1048 C VAL A 69 3.782 4.970 -6.572 1.00 0.00 C ATOM 1049 O VAL A 69 4.324 3.924 -6.219 1.00 0.00 O ATOM 1050 CB VAL A 69 1.300 4.754 -6.182 1.00 0.00 C ATOM 1051 CG1 VAL A 69 1.551 3.254 -6.251 1.00 0.00 C ATOM 1052 CG2 VAL A 69 0.198 5.058 -5.181 1.00 0.00 C ATOM 0 H VAL A 69 1.582 7.202 -6.569 1.00 0.00 H new ATOM 0 HA VAL A 69 2.752 5.396 -4.741 1.00 0.00 H new ATOM 0 HB VAL A 69 0.986 5.084 -7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.626 2.742 -6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.309 3.046 -7.006 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.898 2.898 -5.281 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.703 4.507 -5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.519 4.758 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.015 6.127 -5.187 1.00 0.00 H new ATOM 1062 N ASP A 70 4.225 5.700 -7.593 1.00 0.00 N ATOM 1063 CA ASP A 70 5.406 5.303 -8.348 1.00 0.00 C ATOM 1064 C ASP A 70 6.571 5.103 -7.390 1.00 0.00 C ATOM 1065 O ASP A 70 7.237 4.066 -7.405 1.00 0.00 O ATOM 1066 CB ASP A 70 5.759 6.361 -9.391 1.00 0.00 C ATOM 1067 CG ASP A 70 7.058 6.054 -10.109 1.00 0.00 C ATOM 1068 OD1 ASP A 70 7.105 5.051 -10.850 1.00 0.00 O ATOM 1069 OD2 ASP A 70 8.030 6.818 -9.930 1.00 0.00 O ATOM 0 H ASP A 70 3.786 6.563 -7.913 1.00 0.00 H new ATOM 0 HA ASP A 70 5.197 4.369 -8.869 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.952 6.432 -10.120 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.836 7.334 -8.906 1.00 0.00 H new ATOM 1074 N GLU A 71 6.773 6.086 -6.516 1.00 0.00 N ATOM 1075 CA GLU A 71 7.809 5.994 -5.498 1.00 0.00 C ATOM 1076 C GLU A 71 7.466 4.881 -4.516 1.00 0.00 C ATOM 1077 O GLU A 71 8.346 4.175 -4.025 1.00 0.00 O ATOM 1078 CB GLU A 71 7.956 7.322 -4.755 1.00 0.00 C ATOM 1079 CG GLU A 71 9.238 7.426 -3.943 1.00 0.00 C ATOM 1080 CD GLU A 71 9.617 8.860 -3.637 1.00 0.00 C ATOM 1081 OE1 GLU A 71 10.330 9.474 -4.458 1.00 0.00 O ATOM 1082 OE2 GLU A 71 9.201 9.371 -2.575 1.00 0.00 O ATOM 0 H GLU A 71 6.234 6.951 -6.494 1.00 0.00 H new ATOM 0 HA GLU A 71 8.758 5.767 -5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.926 8.138 -5.477 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.103 7.453 -4.090 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.117 6.878 -3.008 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.050 6.948 -4.490 1.00 0.00 H new ATOM 1089 N ALA A 72 6.169 4.721 -4.254 1.00 0.00 N ATOM 1090 CA ALA A 72 5.681 3.672 -3.368 1.00 0.00 C ATOM 1091 C ALA A 72 6.172 2.307 -3.841 1.00 0.00 C ATOM 1092 O ALA A 72 6.595 1.471 -3.041 1.00 0.00 O ATOM 1093 CB ALA A 72 4.163 3.712 -3.303 1.00 0.00 C ATOM 0 H ALA A 72 5.435 5.310 -4.647 1.00 0.00 H new ATOM 0 HA ALA A 72 6.073 3.842 -2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.806 2.925 -2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.841 4.681 -2.923 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.752 3.559 -4.301 1.00 0.00 H new ATOM 1099 N VAL A 73 6.151 2.109 -5.154 1.00 0.00 N ATOM 1100 CA VAL A 73 6.640 0.875 -5.750 1.00 0.00 C ATOM 1101 C VAL A 73 8.115 0.685 -5.420 1.00 0.00 C ATOM 1102 O VAL A 73 8.581 -0.437 -5.220 1.00 0.00 O ATOM 1103 CB VAL A 73 6.450 0.885 -7.284 1.00 0.00 C ATOM 1104 CG1 VAL A 73 7.361 -0.131 -7.958 1.00 0.00 C ATOM 1105 CG2 VAL A 73 4.993 0.628 -7.643 1.00 0.00 C ATOM 0 H VAL A 73 5.799 2.790 -5.826 1.00 0.00 H new ATOM 0 HA VAL A 73 6.063 0.048 -5.335 1.00 0.00 H new ATOM 0 HB VAL A 73 6.726 1.873 -7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.205 -0.101 -9.036 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.401 0.108 -7.735 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.131 -1.129 -7.586 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.878 0.639 -8.727 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.689 -0.344 -7.255 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.368 1.405 -7.204 1.00 0.00 H new ATOM 1115 N ALA A 74 8.839 1.797 -5.343 1.00 0.00 N ATOM 1116 CA ALA A 74 10.263 1.762 -5.045 1.00 0.00 C ATOM 1117 C ALA A 74 10.524 1.432 -3.581 1.00 0.00 C ATOM 1118 O ALA A 74 11.505 0.764 -3.258 1.00 0.00 O ATOM 1119 CB ALA A 74 10.915 3.085 -5.416 1.00 0.00 C ATOM 0 H ALA A 74 8.461 2.734 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 74 10.707 0.968 -5.646 1.00 0.00 H new ATOM 0 HB1 ALA A 74 11.980 3.043 -5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.780 3.271 -6.482 1.00 0.00 H new ATOM 0 HB3 ALA A 74 10.453 3.891 -4.846 1.00 0.00 H new ATOM 1125 N VAL A 75 9.653 1.909 -2.692 1.00 0.00 N ATOM 1126 CA VAL A 75 9.815 1.636 -1.267 1.00 0.00 C ATOM 1127 C VAL A 75 9.846 0.129 -1.027 1.00 0.00 C ATOM 1128 O VAL A 75 10.511 -0.354 -0.110 1.00 0.00 O ATOM 1129 CB VAL A 75 8.709 2.300 -0.404 1.00 0.00 C ATOM 1130 CG1 VAL A 75 8.222 3.587 -1.052 1.00 0.00 C ATOM 1131 CG2 VAL A 75 7.542 1.354 -0.155 1.00 0.00 C ATOM 0 H VAL A 75 8.840 2.478 -2.929 1.00 0.00 H new ATOM 0 HA VAL A 75 10.763 2.076 -0.957 1.00 0.00 H new ATOM 0 HB VAL A 75 9.151 2.540 0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.447 4.036 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.056 4.282 -1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.814 3.366 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.789 1.857 0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 75 7.102 1.060 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.898 0.467 0.369 1.00 0.00 H new ATOM 1141 N LEU A 76 9.152 -0.609 -1.892 1.00 0.00 N ATOM 1142 CA LEU A 76 9.122 -2.067 -1.813 1.00 0.00 C ATOM 1143 C LEU A 76 10.454 -2.657 -2.241 1.00 0.00 C ATOM 1144 O LEU A 76 11.071 -3.429 -1.506 1.00 0.00 O ATOM 1145 CB LEU A 76 8.013 -2.624 -2.703 1.00 0.00 C ATOM 1146 CG LEU A 76 6.639 -2.699 -2.046 1.00 0.00 C ATOM 1147 CD1 LEU A 76 6.593 -3.828 -1.029 1.00 0.00 C ATOM 1148 CD2 LEU A 76 6.296 -1.371 -1.391 1.00 0.00 C ATOM 0 H LEU A 76 8.602 -0.219 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 76 8.928 -2.343 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.939 -2.005 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.298 -3.624 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 76 5.896 -2.907 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.605 -3.865 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.798 -4.775 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.344 -3.654 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.313 -1.438 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.042 -1.137 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.287 -0.585 -2.146 1.00 0.00 H new ATOM 1160 N GLN A 77 10.886 -2.291 -3.444 1.00 0.00 N ATOM 1161 CA GLN A 77 12.149 -2.771 -3.983 1.00 0.00 C ATOM 1162 C GLN A 77 13.270 -2.553 -2.974 1.00 0.00 C ATOM 1163 O GLN A 77 14.195 -3.357 -2.870 1.00 0.00 O ATOM 1164 CB GLN A 77 12.468 -2.050 -5.295 1.00 0.00 C ATOM 1165 CG GLN A 77 11.575 -2.470 -6.451 1.00 0.00 C ATOM 1166 CD GLN A 77 12.245 -3.469 -7.374 1.00 0.00 C ATOM 1167 OE1 GLN A 77 12.243 -3.303 -8.593 1.00 0.00 O ATOM 1168 NE2 GLN A 77 12.823 -4.515 -6.794 1.00 0.00 N ATOM 0 H GLN A 77 10.376 -1.661 -4.064 1.00 0.00 H new ATOM 0 HA GLN A 77 12.063 -3.839 -4.182 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.370 -0.975 -5.143 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.508 -2.241 -5.562 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.657 -2.905 -6.056 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.289 -1.587 -7.023 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.800 -4.612 -5.779 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.290 -5.221 -7.364 1.00 0.00 H new ATOM 1177 N ALA A 78 13.161 -1.465 -2.216 1.00 0.00 N ATOM 1178 CA ALA A 78 14.132 -1.153 -1.177 1.00 0.00 C ATOM 1179 C ALA A 78 13.831 -1.941 0.096 1.00 0.00 C ATOM 1180 O ALA A 78 14.738 -2.315 0.839 1.00 0.00 O ATOM 1181 CB ALA A 78 14.137 0.341 -0.888 1.00 0.00 C ATOM 0 H ALA A 78 12.407 -0.784 -2.304 1.00 0.00 H new ATOM 0 HA ALA A 78 15.121 -1.442 -1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 78 14.868 0.558 -0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.400 0.886 -1.795 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.147 0.650 -0.553 1.00 0.00 H new ATOM 1187 N HIS A 79 12.546 -2.189 0.338 1.00 0.00 N ATOM 1188 CA HIS A 79 12.115 -2.928 1.519 1.00 0.00 C ATOM 1189 C HIS A 79 12.685 -4.343 1.519 1.00 0.00 C ATOM 1190 O HIS A 79 12.926 -4.924 2.576 1.00 0.00 O ATOM 1191 CB HIS A 79 10.584 -2.981 1.587 1.00 0.00 C ATOM 1192 CG HIS A 79 10.062 -3.683 2.802 1.00 0.00 C ATOM 1193 ND1 HIS A 79 10.079 -3.084 4.039 1.00 0.00 N ATOM 1194 CD2 HIS A 79 9.525 -4.923 2.917 1.00 0.00 C ATOM 1195 CE1 HIS A 79 9.555 -3.964 4.875 1.00 0.00 C ATOM 1196 NE2 HIS A 79 9.205 -5.092 4.239 1.00 0.00 N ATOM 0 H HIS A 79 11.785 -1.888 -0.270 1.00 0.00 H new ATOM 0 HA HIS A 79 12.493 -2.405 2.398 1.00 0.00 H new ATOM 0 HB2 HIS A 79 10.192 -1.964 1.569 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.206 -3.484 0.697 1.00 0.00 H new ATOM 0 HD2 HIS A 79 9.378 -5.638 2.121 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.425 -3.796 5.934 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.781 -5.919 4.660 1.00 0.00 H new ATOM 1204 N GLN A 80 12.865 -4.905 0.329 1.00 0.00 N ATOM 1205 CA GLN A 80 13.396 -6.256 0.199 1.00 0.00 C ATOM 1206 C GLN A 80 14.922 -6.271 0.238 1.00 0.00 C ATOM 1207 O GLN A 80 15.520 -6.865 1.132 1.00 0.00 O ATOM 1208 CB GLN A 80 12.911 -6.897 -1.100 1.00 0.00 C ATOM 1209 CG GLN A 80 11.631 -7.698 -0.934 1.00 0.00 C ATOM 1210 CD GLN A 80 11.836 -9.181 -1.175 1.00 0.00 C ATOM 1211 OE1 GLN A 80 11.985 -9.960 -0.234 1.00 0.00 O ATOM 1212 NE2 GLN A 80 11.847 -9.578 -2.443 1.00 0.00 N ATOM 0 H GLN A 80 12.652 -4.447 -0.557 1.00 0.00 H new ATOM 0 HA GLN A 80 13.029 -6.831 1.049 1.00 0.00 H new ATOM 0 HB2 GLN A 80 12.749 -6.117 -1.844 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.692 -7.550 -1.488 1.00 0.00 H new ATOM 0 HG2 GLN A 80 11.241 -7.548 0.073 1.00 0.00 H new ATOM 0 HG3 GLN A 80 10.879 -7.322 -1.627 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.719 -8.897 -3.192 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.983 -10.564 -2.668 1.00 0.00 H new ATOM 1221 N ALA A 81 15.542 -5.642 -0.757 1.00 0.00 N ATOM 1222 CA ALA A 81 16.998 -5.640 -0.880 1.00 0.00 C ATOM 1223 C ALA A 81 17.668 -4.628 0.048 1.00 0.00 C ATOM 1224 O ALA A 81 18.531 -4.990 0.848 1.00 0.00 O ATOM 1225 CB ALA A 81 17.395 -5.367 -2.322 1.00 0.00 C ATOM 0 H ALA A 81 15.058 -5.126 -1.492 1.00 0.00 H new ATOM 0 HA ALA A 81 17.347 -6.628 -0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 81 18.482 -5.367 -2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.981 -6.143 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.007 -4.395 -2.628 1.00 0.00 H new ATOM 1231 N LYS A 82 17.302 -3.357 -0.090 1.00 0.00 N ATOM 1232 CA LYS A 82 17.923 -2.293 0.696 1.00 0.00 C ATOM 1233 C LYS A 82 17.751 -2.517 2.196 1.00 0.00 C ATOM 1234 O LYS A 82 18.497 -1.958 3.001 1.00 0.00 O ATOM 1235 CB LYS A 82 17.340 -0.933 0.306 1.00 0.00 C ATOM 1236 CG LYS A 82 18.175 -0.184 -0.720 1.00 0.00 C ATOM 1237 CD LYS A 82 19.307 0.587 -0.061 1.00 0.00 C ATOM 1238 CE LYS A 82 20.509 0.710 -0.984 1.00 0.00 C ATOM 1239 NZ LYS A 82 21.697 1.266 -0.279 1.00 0.00 N ATOM 0 H LYS A 82 16.581 -3.038 -0.737 1.00 0.00 H new ATOM 0 HA LYS A 82 18.990 -2.309 0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.336 -1.078 -0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.243 -0.319 1.201 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.586 -0.890 -1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.539 0.505 -1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 82 18.958 1.581 0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 82 19.604 0.084 0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.755 -0.270 -1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 82 20.255 1.352 -1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 22.327 1.723 -0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 21.387 1.967 0.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 22.208 0.497 0.200 1.00 0.00 H new ATOM 1253 N GLU A 83 16.772 -3.333 2.570 1.00 0.00 N ATOM 1254 CA GLU A 83 16.521 -3.619 3.979 1.00 0.00 C ATOM 1255 C GLU A 83 17.225 -4.901 4.414 1.00 0.00 C ATOM 1256 O GLU A 83 17.740 -4.988 5.530 1.00 0.00 O ATOM 1257 CB GLU A 83 15.019 -3.733 4.239 1.00 0.00 C ATOM 1258 CG GLU A 83 14.620 -3.385 5.663 1.00 0.00 C ATOM 1259 CD GLU A 83 14.092 -4.581 6.430 1.00 0.00 C ATOM 1260 OE1 GLU A 83 14.668 -5.680 6.288 1.00 0.00 O ATOM 1261 OE2 GLU A 83 13.103 -4.418 7.176 1.00 0.00 O ATOM 0 H GLU A 83 16.142 -3.806 1.922 1.00 0.00 H new ATOM 0 HA GLU A 83 16.923 -2.793 4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.489 -3.075 3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.697 -4.751 4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.482 -2.974 6.188 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.858 -2.606 5.643 1.00 0.00 H new ATOM 1268 N ALA A 84 17.241 -5.895 3.530 1.00 0.00 N ATOM 1269 CA ALA A 84 17.878 -7.173 3.829 1.00 0.00 C ATOM 1270 C ALA A 84 19.398 -7.045 3.819 1.00 0.00 C ATOM 1271 O ALA A 84 20.103 -7.878 4.388 1.00 0.00 O ATOM 1272 CB ALA A 84 17.430 -8.232 2.834 1.00 0.00 C ATOM 0 H ALA A 84 16.821 -5.840 2.602 1.00 0.00 H new ATOM 0 HA ALA A 84 17.571 -7.477 4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 84 17.913 -9.180 3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 84 16.348 -8.352 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 84 17.707 -7.924 1.826 1.00 0.00 H new ATOM 1278 N ALA A 85 19.894 -6.001 3.164 1.00 0.00 N ATOM 1279 CA ALA A 85 21.330 -5.764 3.080 1.00 0.00 C ATOM 1280 C ALA A 85 21.875 -5.239 4.404 1.00 0.00 C ATOM 1281 O ALA A 85 22.591 -5.944 5.114 1.00 0.00 O ATOM 1282 CB ALA A 85 21.640 -4.789 1.954 1.00 0.00 C ATOM 0 H ALA A 85 19.323 -5.306 2.684 1.00 0.00 H new ATOM 0 HA ALA A 85 21.820 -6.714 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 85 22.716 -4.622 1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 85 21.292 -5.204 1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 85 21.134 -3.842 2.143 1.00 0.00 H new ATOM 1288 N GLN A 86 21.527 -3.998 4.730 1.00 0.00 N ATOM 1289 CA GLN A 86 21.975 -3.380 5.972 1.00 0.00 C ATOM 1290 C GLN A 86 20.976 -3.641 7.096 1.00 0.00 C ATOM 1291 O GLN A 86 20.045 -2.865 7.307 1.00 0.00 O ATOM 1292 CB GLN A 86 22.161 -1.872 5.783 1.00 0.00 C ATOM 1293 CG GLN A 86 22.581 -1.480 4.374 1.00 0.00 C ATOM 1294 CD GLN A 86 21.908 -0.206 3.899 1.00 0.00 C ATOM 1295 OE1 GLN A 86 21.010 0.319 4.557 1.00 0.00 O ATOM 1296 NE2 GLN A 86 22.340 0.296 2.748 1.00 0.00 N ATOM 0 H GLN A 86 20.936 -3.401 4.151 1.00 0.00 H new ATOM 0 HA GLN A 86 22.932 -3.824 6.244 1.00 0.00 H new ATOM 0 HB2 GLN A 86 21.227 -1.366 6.028 1.00 0.00 H new ATOM 0 HB3 GLN A 86 22.912 -1.516 6.489 1.00 0.00 H new ATOM 0 HG2 GLN A 86 23.663 -1.348 4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 86 22.340 -2.292 3.688 1.00 0.00 H new ATOM 0 HE21 GLN A 86 23.087 -0.173 2.236 1.00 0.00 H new ATOM 0 HE22 GLN A 86 21.925 1.150 2.376 1.00 0.00 H new ATOM 1305 N LYS A 87 21.174 -4.745 7.808 1.00 0.00 N ATOM 1306 CA LYS A 87 20.294 -5.110 8.913 1.00 0.00 C ATOM 1307 C LYS A 87 20.778 -4.488 10.219 1.00 0.00 C ATOM 1308 O LYS A 87 20.259 -3.461 10.658 1.00 0.00 O ATOM 1309 CB LYS A 87 20.211 -6.634 9.055 1.00 0.00 C ATOM 1310 CG LYS A 87 21.471 -7.364 8.615 1.00 0.00 C ATOM 1311 CD LYS A 87 21.954 -8.333 9.683 1.00 0.00 C ATOM 1312 CE LYS A 87 23.256 -9.006 9.277 1.00 0.00 C ATOM 1313 NZ LYS A 87 23.085 -10.471 9.077 1.00 0.00 N ATOM 0 H LYS A 87 21.935 -5.403 7.640 1.00 0.00 H new ATOM 0 HA LYS A 87 19.299 -4.724 8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 87 20.005 -6.881 10.096 1.00 0.00 H new ATOM 0 HB3 LYS A 87 19.368 -6.998 8.468 1.00 0.00 H new ATOM 0 HG2 LYS A 87 21.274 -7.908 7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 87 22.256 -6.639 8.398 1.00 0.00 H new ATOM 0 HD2 LYS A 87 22.097 -7.799 10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 87 21.191 -9.091 9.860 1.00 0.00 H new ATOM 0 HE2 LYS A 87 23.626 -8.555 8.356 1.00 0.00 H new ATOM 0 HE3 LYS A 87 24.010 -8.830 10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 23.995 -10.892 8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 22.756 -10.906 9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 22.384 -10.640 8.327 1.00 0.00 H new ATOM 1327 N ALA A 88 21.779 -5.112 10.834 1.00 0.00 N ATOM 1328 CA ALA A 88 22.338 -4.610 12.084 1.00 0.00 C ATOM 1329 C ALA A 88 23.429 -3.580 11.815 1.00 0.00 C ATOM 1330 O ALA A 88 23.982 -2.988 12.743 1.00 0.00 O ATOM 1331 CB ALA A 88 22.885 -5.759 12.918 1.00 0.00 C ATOM 0 H ALA A 88 22.218 -5.965 10.487 1.00 0.00 H new ATOM 0 HA ALA A 88 21.540 -4.122 12.644 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.299 -5.369 13.848 1.00 0.00 H new ATOM 0 HB2 ALA A 88 22.081 -6.459 13.144 1.00 0.00 H new ATOM 0 HB3 ALA A 88 23.668 -6.273 12.360 1.00 0.00 H new ATOM 1337 N VAL A 89 23.734 -3.372 10.538 1.00 0.00 N ATOM 1338 CA VAL A 89 24.757 -2.414 10.139 1.00 0.00 C ATOM 1339 C VAL A 89 24.156 -1.026 9.940 1.00 0.00 C ATOM 1340 O VAL A 89 24.877 -0.034 9.842 1.00 0.00 O ATOM 1341 CB VAL A 89 25.460 -2.849 8.838 1.00 0.00 C ATOM 1342 CG1 VAL A 89 26.793 -2.131 8.684 1.00 0.00 C ATOM 1343 CG2 VAL A 89 25.653 -4.358 8.809 1.00 0.00 C ATOM 0 H VAL A 89 23.285 -3.856 9.760 1.00 0.00 H new ATOM 0 HA VAL A 89 25.492 -2.380 10.943 1.00 0.00 H new ATOM 0 HB VAL A 89 24.825 -2.573 7.997 1.00 0.00 H new ATOM 0 HG11 VAL A 89 27.274 -2.451 7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 89 26.625 -1.055 8.651 1.00 0.00 H new ATOM 0 HG13 VAL A 89 27.436 -2.372 9.530 1.00 0.00 H new ATOM 0 HG21 VAL A 89 26.151 -4.643 7.882 1.00 0.00 H new ATOM 0 HG22 VAL A 89 26.264 -4.663 9.658 1.00 0.00 H new ATOM 0 HG23 VAL A 89 24.682 -4.850 8.866 1.00 0.00 H new ATOM 1353 N ASN A 90 22.829 -0.965 9.886 1.00 0.00 N ATOM 1354 CA ASN A 90 22.127 0.298 9.699 1.00 0.00 C ATOM 1355 C ASN A 90 22.045 1.075 11.010 1.00 0.00 C ATOM 1356 O ASN A 90 20.980 1.168 11.623 1.00 0.00 O ATOM 1357 CB ASN A 90 20.720 0.046 9.151 1.00 0.00 C ATOM 1358 CG ASN A 90 20.213 1.198 8.305 1.00 0.00 C ATOM 1359 OD1 ASN A 90 20.033 1.062 7.095 1.00 0.00 O ATOM 1360 ND2 ASN A 90 19.979 2.340 8.941 1.00 0.00 N ATOM 0 H ASN A 90 22.218 -1.778 9.969 1.00 0.00 H new ATOM 0 HA ASN A 90 22.688 0.895 8.980 1.00 0.00 H new ATOM 0 HB2 ASN A 90 20.724 -0.866 8.553 1.00 0.00 H new ATOM 0 HB3 ASN A 90 20.034 -0.120 9.982 1.00 0.00 H new ATOM 0 HD21 ASN A 90 19.636 3.150 8.425 1.00 0.00 H new ATOM 0 HD22 ASN A 90 20.142 2.407 9.946 1.00 0.00 H new ATOM 1367 N SER A 91 23.175 1.631 11.434 1.00 0.00 N ATOM 1368 CA SER A 91 23.232 2.402 12.670 1.00 0.00 C ATOM 1369 C SER A 91 23.152 3.897 12.380 1.00 0.00 C ATOM 1370 O SER A 91 23.755 4.711 13.082 1.00 0.00 O ATOM 1371 CB SER A 91 24.519 2.087 13.434 1.00 0.00 C ATOM 1372 OG SER A 91 25.590 1.822 12.545 1.00 0.00 O ATOM 0 H SER A 91 24.064 1.562 10.939 1.00 0.00 H new ATOM 0 HA SER A 91 22.376 2.122 13.284 1.00 0.00 H new ATOM 0 HB2 SER A 91 24.777 2.927 14.079 1.00 0.00 H new ATOM 0 HB3 SER A 91 24.359 1.225 14.082 1.00 0.00 H new ATOM 0 HG SER A 91 26.401 1.625 13.059 1.00 0.00 H new ATOM 1378 N ALA A 92 22.405 4.253 11.340 1.00 0.00 N ATOM 1379 CA ALA A 92 22.243 5.649 10.956 1.00 0.00 C ATOM 1380 C ALA A 92 21.308 6.375 11.917 1.00 0.00 C ATOM 1381 O ALA A 92 20.779 5.776 12.854 1.00 0.00 O ATOM 1382 CB ALA A 92 21.719 5.750 9.532 1.00 0.00 C ATOM 0 H ALA A 92 21.902 3.592 10.748 1.00 0.00 H new ATOM 0 HA ALA A 92 23.220 6.129 11.005 1.00 0.00 H new ATOM 0 HB1 ALA A 92 21.603 6.799 9.260 1.00 0.00 H new ATOM 0 HB2 ALA A 92 22.424 5.274 8.850 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.753 5.249 9.463 1.00 0.00 H new ATOM 1388 N THR A 93 21.106 7.666 11.675 1.00 0.00 N ATOM 1389 CA THR A 93 20.233 8.473 12.517 1.00 0.00 C ATOM 1390 C THR A 93 18.984 8.902 11.755 1.00 0.00 C ATOM 1391 O THR A 93 18.996 8.992 10.527 1.00 0.00 O ATOM 1392 CB THR A 93 20.981 9.706 13.026 1.00 0.00 C ATOM 1393 OG1 THR A 93 21.796 10.254 12.004 1.00 0.00 O ATOM 1394 CG2 THR A 93 21.868 9.420 14.218 1.00 0.00 C ATOM 0 H THR A 93 21.535 8.175 10.902 1.00 0.00 H new ATOM 0 HA THR A 93 19.926 7.864 13.367 1.00 0.00 H new ATOM 0 HB THR A 93 20.206 10.408 13.333 1.00 0.00 H new ATOM 0 HG1 THR A 93 22.265 11.043 12.348 1.00 0.00 H new ATOM 0 HG21 THR A 93 22.369 10.337 14.527 1.00 0.00 H new ATOM 0 HG22 THR A 93 21.261 9.042 15.041 1.00 0.00 H new ATOM 0 HG23 THR A 93 22.614 8.674 13.945 1.00 0.00 H new ATOM 1402 N GLY A 94 17.908 9.162 12.491 1.00 0.00 N ATOM 1403 CA GLY A 94 16.666 9.579 11.868 1.00 0.00 C ATOM 1404 C GLY A 94 16.609 11.076 11.636 1.00 0.00 C ATOM 1405 O GLY A 94 17.305 11.841 12.305 1.00 0.00 O ATOM 0 H GLY A 94 17.874 9.091 13.508 1.00 0.00 H new ATOM 0 HA2 GLY A 94 16.549 9.062 10.916 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.828 9.280 12.498 1.00 0.00 H new ATOM 1409 N VAL A 95 15.784 11.494 10.681 1.00 0.00 N ATOM 1410 CA VAL A 95 15.641 12.910 10.361 1.00 0.00 C ATOM 1411 C VAL A 95 14.293 13.451 10.837 1.00 0.00 C ATOM 1412 O VAL A 95 13.278 13.296 10.159 1.00 0.00 O ATOM 1413 CB VAL A 95 15.781 13.166 8.846 1.00 0.00 C ATOM 1414 CG1 VAL A 95 17.242 13.364 8.474 1.00 0.00 C ATOM 1415 CG2 VAL A 95 15.169 12.024 8.047 1.00 0.00 C ATOM 0 H VAL A 95 15.205 10.873 10.116 1.00 0.00 H new ATOM 0 HA VAL A 95 16.443 13.432 10.883 1.00 0.00 H new ATOM 0 HB VAL A 95 15.238 14.078 8.599 1.00 0.00 H new ATOM 0 HG11 VAL A 95 17.323 13.543 7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 95 17.643 14.220 9.017 1.00 0.00 H new ATOM 0 HG13 VAL A 95 17.809 12.471 8.736 1.00 0.00 H new ATOM 0 HG21 VAL A 95 15.279 12.226 6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 95 15.678 11.093 8.295 1.00 0.00 H new ATOM 0 HG23 VAL A 95 14.111 11.935 8.292 1.00 0.00 H new ATOM 1425 N PRO A 96 14.266 14.101 12.017 1.00 0.00 N ATOM 1426 CA PRO A 96 13.035 14.665 12.578 1.00 0.00 C ATOM 1427 C PRO A 96 12.555 15.891 11.808 1.00 0.00 C ATOM 1428 O PRO A 96 11.372 16.230 11.838 1.00 0.00 O ATOM 1429 CB PRO A 96 13.438 15.053 14.002 1.00 0.00 C ATOM 1430 CG PRO A 96 14.906 15.294 13.925 1.00 0.00 C ATOM 1431 CD PRO A 96 15.431 14.333 12.895 1.00 0.00 C ATOM 0 HA PRO A 96 12.206 13.958 12.533 1.00 0.00 H new ATOM 0 HB2 PRO A 96 12.907 15.945 14.335 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.203 14.259 14.711 1.00 0.00 H new ATOM 0 HG2 PRO A 96 15.118 16.325 13.640 1.00 0.00 H new ATOM 0 HG3 PRO A 96 15.380 15.127 14.892 1.00 0.00 H new ATOM 0 HD2 PRO A 96 16.272 14.755 12.344 1.00 0.00 H new ATOM 0 HD3 PRO A 96 15.781 13.407 13.351 1.00 0.00 H new ATOM 1439 N THR A 97 13.481 16.551 11.120 1.00 0.00 N ATOM 1440 CA THR A 97 13.153 17.742 10.345 1.00 0.00 C ATOM 1441 C THR A 97 12.597 17.366 8.975 1.00 0.00 C ATOM 1442 O THR A 97 13.193 16.570 8.249 1.00 0.00 O ATOM 1443 CB THR A 97 14.390 18.626 10.180 1.00 0.00 C ATOM 1444 OG1 THR A 97 15.570 17.842 10.188 1.00 0.00 O ATOM 1445 CG2 THR A 97 14.527 19.674 11.263 1.00 0.00 C ATOM 0 H THR A 97 14.464 16.281 11.083 1.00 0.00 H new ATOM 0 HA THR A 97 12.388 18.297 10.888 1.00 0.00 H new ATOM 0 HB THR A 97 14.258 19.132 9.224 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.454 17.070 9.596 1.00 0.00 H new ATOM 0 HG21 THR A 97 15.425 20.266 11.085 1.00 0.00 H new ATOM 0 HG22 THR A 97 13.654 20.327 11.250 1.00 0.00 H new ATOM 0 HG23 THR A 97 14.601 19.186 12.235 1.00 0.00 H new ATOM 1453 N VAL A 98 11.452 17.947 8.629 1.00 0.00 N ATOM 1454 CA VAL A 98 10.813 17.680 7.345 1.00 0.00 C ATOM 1455 C VAL A 98 10.890 18.900 6.433 1.00 0.00 C ATOM 1456 O VAL A 98 11.408 19.941 6.888 1.00 0.00 O ATOM 1457 CB VAL A 98 9.337 17.276 7.522 1.00 0.00 C ATOM 1458 CG1 VAL A 98 9.231 15.826 7.972 1.00 0.00 C ATOM 1459 CG2 VAL A 98 8.642 18.202 8.508 1.00 0.00 C ATOM 1460 OXT VAL A 98 10.302 18.849 5.333 1.00 0.00 O ATOM 0 H VAL A 98 10.947 18.607 9.221 1.00 0.00 H new ATOM 0 HA VAL A 98 11.353 16.851 6.888 1.00 0.00 H new ATOM 0 HB VAL A 98 8.836 17.371 6.559 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.181 15.558 8.092 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.688 15.178 7.223 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.748 15.702 8.923 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.601 17.900 8.619 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.142 18.145 9.475 1.00 0.00 H new ATOM 0 HG23 VAL A 98 8.685 19.226 8.138 1.00 0.00 H new TER 1470 VAL A 98 ATOM 1471 N VAL B 1 13.668 1.996 12.260 1.00 0.00 N ATOM 1472 CA VAL B 1 14.320 2.244 10.949 1.00 0.00 C ATOM 1473 C VAL B 1 13.332 2.831 9.946 1.00 0.00 C ATOM 1474 O VAL B 1 12.289 2.239 9.667 1.00 0.00 O ATOM 1475 CB VAL B 1 14.919 0.951 10.362 1.00 0.00 C ATOM 1476 CG1 VAL B 1 16.259 0.642 11.012 1.00 0.00 C ATOM 1477 CG2 VAL B 1 13.955 -0.214 10.533 1.00 0.00 C ATOM 0 H1 VAL B 1 14.279 1.388 12.842 1.00 0.00 H new ATOM 0 H2 VAL B 1 13.514 2.901 12.748 1.00 0.00 H new ATOM 0 H3 VAL B 1 12.753 1.524 12.109 1.00 0.00 H new ATOM 0 HA VAL B 1 15.123 2.959 11.128 1.00 0.00 H new ATOM 0 HB VAL B 1 15.083 1.101 9.295 1.00 0.00 H new ATOM 0 HG11 VAL B 1 16.668 -0.274 10.586 1.00 0.00 H new ATOM 0 HG12 VAL B 1 16.950 1.466 10.831 1.00 0.00 H new ATOM 0 HG13 VAL B 1 16.121 0.513 12.086 1.00 0.00 H new ATOM 0 HG21 VAL B 1 14.397 -1.117 10.112 1.00 0.00 H new ATOM 0 HG22 VAL B 1 13.755 -0.368 11.593 1.00 0.00 H new ATOM 0 HG23 VAL B 1 13.021 0.008 10.016 1.00 0.00 H new ATOM 1489 N VAL B 2 13.668 4.000 9.408 1.00 0.00 N ATOM 1490 CA VAL B 2 12.814 4.670 8.434 1.00 0.00 C ATOM 1491 C VAL B 2 13.313 4.425 7.012 1.00 0.00 C ATOM 1492 O VAL B 2 13.874 5.318 6.377 1.00 0.00 O ATOM 1493 CB VAL B 2 12.743 6.188 8.691 1.00 0.00 C ATOM 1494 CG1 VAL B 2 11.557 6.799 7.961 1.00 0.00 C ATOM 1495 CG2 VAL B 2 12.668 6.475 10.183 1.00 0.00 C ATOM 0 H VAL B 2 14.527 4.503 9.631 1.00 0.00 H new ATOM 0 HA VAL B 2 11.815 4.249 8.546 1.00 0.00 H new ATOM 0 HB VAL B 2 13.653 6.646 8.303 1.00 0.00 H new ATOM 0 HG11 VAL B 2 11.524 7.871 8.155 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.661 6.627 6.890 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.635 6.338 8.315 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.619 7.552 10.344 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.778 6.004 10.600 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.554 6.075 10.676 1.00 0.00 H new ATOM 1505 N LYS B 3 13.107 3.206 6.522 1.00 0.00 N ATOM 1506 CA LYS B 3 13.538 2.839 5.178 1.00 0.00 C ATOM 1507 C LYS B 3 12.468 3.188 4.148 1.00 0.00 C ATOM 1508 O LYS B 3 12.429 2.615 3.059 1.00 0.00 O ATOM 1509 CB LYS B 3 13.857 1.343 5.116 1.00 0.00 C ATOM 1510 CG LYS B 3 14.757 0.864 6.243 1.00 0.00 C ATOM 1511 CD LYS B 3 16.221 1.156 5.952 1.00 0.00 C ATOM 1512 CE LYS B 3 16.839 0.090 5.063 1.00 0.00 C ATOM 1513 NZ LYS B 3 17.716 0.679 4.014 1.00 0.00 N ATOM 0 H LYS B 3 12.644 2.456 7.036 1.00 0.00 H new ATOM 0 HA LYS B 3 14.438 3.406 4.943 1.00 0.00 H new ATOM 0 HB2 LYS B 3 12.924 0.780 5.143 1.00 0.00 H new ATOM 0 HB3 LYS B 3 14.335 1.122 4.162 1.00 0.00 H new ATOM 0 HG2 LYS B 3 14.466 1.351 7.174 1.00 0.00 H new ATOM 0 HG3 LYS B 3 14.621 -0.208 6.388 1.00 0.00 H new ATOM 0 HD2 LYS B 3 16.309 2.129 5.469 1.00 0.00 H new ATOM 0 HD3 LYS B 3 16.774 1.214 6.889 1.00 0.00 H new ATOM 0 HE2 LYS B 3 17.419 -0.601 5.675 1.00 0.00 H new ATOM 0 HE3 LYS B 3 16.047 -0.491 4.590 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 18.170 -0.084 3.473 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 17.145 1.265 3.373 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 18.447 1.268 4.463 1.00 0.00 H new ATOM 1527 N SER B 4 11.604 4.134 4.502 1.00 0.00 N ATOM 1528 CA SER B 4 10.532 4.565 3.613 1.00 0.00 C ATOM 1529 C SER B 4 10.967 5.766 2.779 1.00 0.00 C ATOM 1530 O SER B 4 11.966 6.417 3.087 1.00 0.00 O ATOM 1531 CB SER B 4 9.284 4.919 4.424 1.00 0.00 C ATOM 1532 OG SER B 4 9.629 5.351 5.729 1.00 0.00 O ATOM 0 H SER B 4 11.626 4.617 5.400 1.00 0.00 H new ATOM 0 HA SER B 4 10.299 3.742 2.938 1.00 0.00 H new ATOM 0 HB2 SER B 4 8.725 5.704 3.914 1.00 0.00 H new ATOM 0 HB3 SER B 4 8.629 4.050 4.487 1.00 0.00 H new ATOM 0 HG SER B 4 8.814 5.573 6.226 1.00 0.00 H new ATOM 1538 N ASN B 5 10.214 6.052 1.722 1.00 0.00 N ATOM 1539 CA ASN B 5 10.526 7.171 0.841 1.00 0.00 C ATOM 1540 C ASN B 5 9.375 8.170 0.799 1.00 0.00 C ATOM 1541 O ASN B 5 9.544 9.342 1.139 1.00 0.00 O ATOM 1542 CB ASN B 5 10.828 6.665 -0.570 1.00 0.00 C ATOM 1543 CG ASN B 5 12.282 6.271 -0.746 1.00 0.00 C ATOM 1544 OD1 ASN B 5 12.837 5.523 0.059 1.00 0.00 O ATOM 1545 ND2 ASN B 5 12.907 6.776 -1.803 1.00 0.00 N ATOM 0 H ASN B 5 9.383 5.524 1.455 1.00 0.00 H new ATOM 0 HA ASN B 5 11.407 7.677 1.236 1.00 0.00 H new ATOM 0 HB2 ASN B 5 10.193 5.806 -0.788 1.00 0.00 H new ATOM 0 HB3 ASN B 5 10.575 7.441 -1.293 1.00 0.00 H new ATOM 0 HD21 ASN B 5 13.886 6.548 -1.974 1.00 0.00 H new ATOM 0 HD22 ASN B 5 12.408 7.392 -2.444 1.00 0.00 H new ATOM 1552 N LEU B 6 8.206 7.701 0.376 1.00 0.00 N ATOM 1553 CA LEU B 6 7.027 8.554 0.284 1.00 0.00 C ATOM 1554 C LEU B 6 6.522 8.944 1.670 1.00 0.00 C ATOM 1555 O LEU B 6 6.679 10.089 2.097 1.00 0.00 O ATOM 1556 CB LEU B 6 5.919 7.840 -0.497 1.00 0.00 C ATOM 1557 CG LEU B 6 5.070 8.742 -1.399 1.00 0.00 C ATOM 1558 CD1 LEU B 6 5.952 9.546 -2.344 1.00 0.00 C ATOM 1559 CD2 LEU B 6 4.069 7.910 -2.184 1.00 0.00 C ATOM 0 H LEU B 6 8.050 6.734 0.091 1.00 0.00 H new ATOM 0 HA LEU B 6 7.308 9.465 -0.245 1.00 0.00 H new ATOM 0 HB2 LEU B 6 6.373 7.063 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU B 6 5.260 7.340 0.213 1.00 0.00 H new ATOM 0 HG LEU B 6 4.523 9.442 -0.767 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.328 10.179 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.632 10.170 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.529 8.866 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.473 8.564 -2.821 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.602 7.188 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.414 7.381 -1.492 1.00 0.00 H new ATOM 1571 N ASN B 7 5.920 7.988 2.370 1.00 0.00 N ATOM 1572 CA ASN B 7 5.399 8.232 3.712 1.00 0.00 C ATOM 1573 C ASN B 7 6.465 7.966 4.768 1.00 0.00 C ATOM 1574 O ASN B 7 7.082 6.903 4.777 1.00 0.00 O ATOM 1575 CB ASN B 7 4.192 7.338 3.989 1.00 0.00 C ATOM 1576 CG ASN B 7 3.130 8.038 4.813 1.00 0.00 C ATOM 1577 OD1 ASN B 7 3.217 7.894 6.130 1.00 0.00 O flip ATOM 1578 ND2 ASN B 7 2.244 8.701 4.274 1.00 0.00 N flip ATOM 0 H ASN B 7 5.780 7.036 2.031 1.00 0.00 H new ATOM 0 HA ASN B 7 5.099 9.279 3.763 1.00 0.00 H new ATOM 0 HB2 ASN B 7 3.759 7.014 3.043 1.00 0.00 H new ATOM 0 HB3 ASN B 7 4.521 6.440 4.513 1.00 0.00 H new ATOM 0 HD21 ASN B 7 2.216 8.784 3.258 1.00 0.00 H new ATOM 0 HD22 ASN B 7 1.538 9.167 4.844 1.00 0.00 H new ATOM 1585 N PRO B 8 6.673 8.911 5.702 1.00 0.00 N ATOM 1586 CA PRO B 8 7.658 8.756 6.768 1.00 0.00 C ATOM 1587 C PRO B 8 7.167 7.822 7.868 1.00 0.00 C ATOM 1588 O PRO B 8 7.872 7.572 8.846 1.00 0.00 O ATOM 1589 CB PRO B 8 7.843 10.182 7.316 1.00 0.00 C ATOM 1590 CG PRO B 8 7.030 11.076 6.431 1.00 0.00 C ATOM 1591 CD PRO B 8 5.991 10.207 5.785 1.00 0.00 C ATOM 0 HA PRO B 8 8.584 8.312 6.401 1.00 0.00 H new ATOM 0 HB2 PRO B 8 7.507 10.248 8.351 1.00 0.00 H new ATOM 0 HB3 PRO B 8 8.894 10.471 7.303 1.00 0.00 H new ATOM 0 HG2 PRO B 8 6.563 11.874 7.009 1.00 0.00 H new ATOM 0 HG3 PRO B 8 7.659 11.553 5.679 1.00 0.00 H new ATOM 0 HD2 PRO B 8 5.081 10.150 6.382 1.00 0.00 H new ATOM 0 HD3 PRO B 8 5.704 10.579 4.801 1.00 0.00 H new ATOM 1599 N ASN B 9 5.947 7.317 7.705 1.00 0.00 N ATOM 1600 CA ASN B 9 5.353 6.411 8.683 1.00 0.00 C ATOM 1601 C ASN B 9 4.948 5.091 8.031 1.00 0.00 C ATOM 1602 O ASN B 9 3.824 4.623 8.202 1.00 0.00 O ATOM 1603 CB ASN B 9 4.135 7.063 9.336 1.00 0.00 C ATOM 1604 CG ASN B 9 4.446 8.431 9.911 1.00 0.00 C ATOM 1605 OD1 ASN B 9 5.408 8.599 10.660 1.00 0.00 O ATOM 1606 ND2 ASN B 9 3.630 9.419 9.561 1.00 0.00 N ATOM 0 H ASN B 9 5.350 7.520 6.903 1.00 0.00 H new ATOM 0 HA ASN B 9 6.101 6.202 9.448 1.00 0.00 H new ATOM 0 HB2 ASN B 9 3.338 7.155 8.599 1.00 0.00 H new ATOM 0 HB3 ASN B 9 3.762 6.415 10.129 1.00 0.00 H new ATOM 0 HD21 ASN B 9 3.789 10.362 9.916 1.00 0.00 H new ATOM 0 HD22 ASN B 9 2.844 9.235 8.937 1.00 0.00 H new ATOM 1613 N ALA B 10 5.859 4.516 7.257 1.00 0.00 N ATOM 1614 CA ALA B 10 5.599 3.255 6.570 1.00 0.00 C ATOM 1615 C ALA B 10 5.289 2.126 7.553 1.00 0.00 C ATOM 1616 O ALA B 10 6.200 1.514 8.113 1.00 0.00 O ATOM 1617 CB ALA B 10 6.784 2.882 5.694 1.00 0.00 C ATOM 0 H ALA B 10 6.787 4.903 7.088 1.00 0.00 H new ATOM 0 HA ALA B 10 4.718 3.395 5.943 1.00 0.00 H new ATOM 0 HB1 ALA B 10 6.579 1.940 5.186 1.00 0.00 H new ATOM 0 HB2 ALA B 10 6.950 3.664 4.953 1.00 0.00 H new ATOM 0 HB3 ALA B 10 7.675 2.774 6.313 1.00 0.00 H new ATOM 1623 N LYS B 11 4.003 1.833 7.735 1.00 0.00 N ATOM 1624 CA LYS B 11 3.580 0.750 8.624 1.00 0.00 C ATOM 1625 C LYS B 11 2.739 -0.273 7.865 1.00 0.00 C ATOM 1626 O LYS B 11 2.092 0.059 6.875 1.00 0.00 O ATOM 1627 CB LYS B 11 2.781 1.301 9.808 1.00 0.00 C ATOM 1628 CG LYS B 11 3.214 2.687 10.251 1.00 0.00 C ATOM 1629 CD LYS B 11 3.574 2.716 11.727 1.00 0.00 C ATOM 1630 CE LYS B 11 4.470 3.898 12.058 1.00 0.00 C ATOM 1631 NZ LYS B 11 3.737 4.958 12.807 1.00 0.00 N ATOM 0 H LYS B 11 3.236 2.329 7.280 1.00 0.00 H new ATOM 0 HA LYS B 11 4.476 0.259 9.003 1.00 0.00 H new ATOM 0 HB2 LYS B 11 1.725 1.330 9.539 1.00 0.00 H new ATOM 0 HB3 LYS B 11 2.877 0.615 10.649 1.00 0.00 H new ATOM 0 HG2 LYS B 11 4.072 3.007 9.660 1.00 0.00 H new ATOM 0 HG3 LYS B 11 2.411 3.399 10.058 1.00 0.00 H new ATOM 0 HD2 LYS B 11 2.663 2.770 12.324 1.00 0.00 H new ATOM 0 HD3 LYS B 11 4.078 1.788 11.998 1.00 0.00 H new ATOM 0 HE2 LYS B 11 5.319 3.556 12.650 1.00 0.00 H new ATOM 0 HE3 LYS B 11 4.873 4.317 11.136 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 4.391 5.731 13.043 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 2.963 5.327 12.218 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 3.345 4.556 13.683 1.00 0.00 H new ATOM 1645 N GLU B 12 2.743 -1.516 8.341 1.00 0.00 N ATOM 1646 CA GLU B 12 1.986 -2.591 7.696 1.00 0.00 C ATOM 1647 C GLU B 12 0.508 -2.230 7.557 1.00 0.00 C ATOM 1648 O GLU B 12 0.041 -1.245 8.129 1.00 0.00 O ATOM 1649 CB GLU B 12 2.132 -3.889 8.495 1.00 0.00 C ATOM 1650 CG GLU B 12 2.138 -5.139 7.629 1.00 0.00 C ATOM 1651 CD GLU B 12 2.812 -6.316 8.307 1.00 0.00 C ATOM 1652 OE1 GLU B 12 3.966 -6.160 8.761 1.00 0.00 O ATOM 1653 OE2 GLU B 12 2.187 -7.395 8.384 1.00 0.00 O ATOM 0 H GLU B 12 3.261 -1.806 9.171 1.00 0.00 H new ATOM 0 HA GLU B 12 2.394 -2.732 6.695 1.00 0.00 H new ATOM 0 HB2 GLU B 12 3.058 -3.850 9.069 1.00 0.00 H new ATOM 0 HB3 GLU B 12 1.314 -3.958 9.213 1.00 0.00 H new ATOM 0 HG2 GLU B 12 1.112 -5.408 7.379 1.00 0.00 H new ATOM 0 HG3 GLU B 12 2.649 -4.924 6.691 1.00 0.00 H new ATOM 1660 N PHE B 13 -0.227 -3.045 6.799 1.00 0.00 N ATOM 1661 CA PHE B 13 -1.655 -2.820 6.591 1.00 0.00 C ATOM 1662 C PHE B 13 -2.470 -3.504 7.683 1.00 0.00 C ATOM 1663 O PHE B 13 -2.514 -4.732 7.764 1.00 0.00 O ATOM 1664 CB PHE B 13 -2.087 -3.346 5.212 1.00 0.00 C ATOM 1665 CG PHE B 13 -3.411 -2.806 4.713 1.00 0.00 C ATOM 1666 CD1 PHE B 13 -4.325 -2.221 5.582 1.00 0.00 C ATOM 1667 CD2 PHE B 13 -3.747 -2.899 3.367 1.00 0.00 C ATOM 1668 CE1 PHE B 13 -5.534 -1.733 5.118 1.00 0.00 C ATOM 1669 CE2 PHE B 13 -4.957 -2.413 2.902 1.00 0.00 C ATOM 1670 CZ PHE B 13 -5.849 -1.831 3.779 1.00 0.00 C ATOM 0 H PHE B 13 0.144 -3.866 6.320 1.00 0.00 H new ATOM 0 HA PHE B 13 -1.839 -1.747 6.634 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -1.313 -3.099 4.486 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.147 -4.433 5.256 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -4.088 -2.146 6.633 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.055 -3.356 2.675 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.231 -1.275 5.805 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.203 -2.489 1.853 1.00 0.00 H new ATOM 0 HZ PHE B 13 -6.793 -1.452 3.417 1.00 0.00 H new ATOM 1680 N VAL B 14 -3.120 -2.698 8.515 1.00 0.00 N ATOM 1681 CA VAL B 14 -3.949 -3.215 9.593 1.00 0.00 C ATOM 1682 C VAL B 14 -5.419 -2.883 9.345 1.00 0.00 C ATOM 1683 O VAL B 14 -5.911 -1.846 9.790 1.00 0.00 O ATOM 1684 CB VAL B 14 -3.522 -2.646 10.959 1.00 0.00 C ATOM 1685 CG1 VAL B 14 -2.386 -3.468 11.548 1.00 0.00 C ATOM 1686 CG2 VAL B 14 -3.119 -1.184 10.830 1.00 0.00 C ATOM 0 H VAL B 14 -3.087 -1.680 8.461 1.00 0.00 H new ATOM 0 HA VAL B 14 -3.816 -4.297 9.612 1.00 0.00 H new ATOM 0 HB VAL B 14 -4.374 -2.705 11.637 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -2.098 -3.051 12.513 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -2.714 -4.499 11.681 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -1.531 -3.444 10.872 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -2.821 -0.801 11.806 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -2.284 -1.097 10.135 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -3.964 -0.605 10.456 1.00 0.00 H new ATOM 1696 N PRO B 15 -6.133 -3.746 8.596 1.00 0.00 N ATOM 1697 CA PRO B 15 -7.549 -3.535 8.275 1.00 0.00 C ATOM 1698 C PRO B 15 -8.415 -3.351 9.517 1.00 0.00 C ATOM 1699 O PRO B 15 -7.911 -3.263 10.636 1.00 0.00 O ATOM 1700 CB PRO B 15 -7.955 -4.812 7.525 1.00 0.00 C ATOM 1701 CG PRO B 15 -6.874 -5.801 7.807 1.00 0.00 C ATOM 1702 CD PRO B 15 -5.624 -4.999 8.017 1.00 0.00 C ATOM 0 HA PRO B 15 -7.691 -2.624 7.694 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -8.922 -5.179 7.869 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -8.047 -4.626 6.455 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -7.109 -6.395 8.690 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -6.756 -6.497 6.977 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -4.929 -5.502 8.689 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -5.093 -4.826 7.081 1.00 0.00 H new ATOM 1710 N GLY B 16 -9.726 -3.316 9.309 1.00 0.00 N ATOM 1711 CA GLY B 16 -10.650 -3.132 10.413 1.00 0.00 C ATOM 1712 C GLY B 16 -10.856 -1.669 10.752 1.00 0.00 C ATOM 1713 O GLY B 16 -11.991 -1.200 10.841 1.00 0.00 O ATOM 0 H GLY B 16 -10.166 -3.412 8.394 1.00 0.00 H new ATOM 0 HA2 GLY B 16 -11.610 -3.583 10.160 1.00 0.00 H new ATOM 0 HA3 GLY B 16 -10.273 -3.657 11.291 1.00 0.00 H new ATOM 1717 N VAL B 17 -9.756 -0.945 10.936 1.00 0.00 N ATOM 1718 CA VAL B 17 -9.819 0.476 11.256 1.00 0.00 C ATOM 1719 C VAL B 17 -9.205 1.315 10.139 1.00 0.00 C ATOM 1720 O VAL B 17 -8.269 0.881 9.468 1.00 0.00 O ATOM 1721 CB VAL B 17 -9.098 0.800 12.581 1.00 0.00 C ATOM 1722 CG1 VAL B 17 -10.097 1.259 13.632 1.00 0.00 C ATOM 1723 CG2 VAL B 17 -8.306 -0.402 13.076 1.00 0.00 C ATOM 0 H VAL B 17 -8.810 -1.320 10.869 1.00 0.00 H new ATOM 0 HA VAL B 17 -10.875 0.724 11.363 1.00 0.00 H new ATOM 0 HB VAL B 17 -8.395 1.613 12.398 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -9.571 1.483 14.560 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -10.610 2.154 13.280 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -10.827 0.469 13.810 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -7.807 -0.149 14.011 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -8.983 -1.240 13.241 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -7.561 -0.679 12.330 1.00 0.00 H new ATOM 1733 N LYS B 18 -9.736 2.520 9.948 1.00 0.00 N ATOM 1734 CA LYS B 18 -9.232 3.421 8.916 1.00 0.00 C ATOM 1735 C LYS B 18 -7.832 3.914 9.267 1.00 0.00 C ATOM 1736 O LYS B 18 -7.670 4.954 9.906 1.00 0.00 O ATOM 1737 CB LYS B 18 -10.175 4.614 8.730 1.00 0.00 C ATOM 1738 CG LYS B 18 -10.840 5.076 10.016 1.00 0.00 C ATOM 1739 CD LYS B 18 -12.268 5.539 9.768 1.00 0.00 C ATOM 1740 CE LYS B 18 -12.578 6.819 10.527 1.00 0.00 C ATOM 1741 NZ LYS B 18 -12.889 6.555 11.958 1.00 0.00 N ATOM 0 H LYS B 18 -10.513 2.894 10.493 1.00 0.00 H new ATOM 0 HA LYS B 18 -9.183 2.865 7.980 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -9.614 5.445 8.303 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -10.947 4.346 8.009 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.841 4.261 10.740 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.263 5.891 10.454 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -12.419 5.702 8.701 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.963 4.757 10.072 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -11.726 7.496 10.460 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.424 7.323 10.059 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -13.095 7.453 12.440 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -13.717 5.929 12.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.073 6.097 12.412 1.00 0.00 H new ATOM 1755 N TYR B 19 -6.824 3.156 8.850 1.00 0.00 N ATOM 1756 CA TYR B 19 -5.437 3.507 9.125 1.00 0.00 C ATOM 1757 C TYR B 19 -5.036 4.775 8.378 1.00 0.00 C ATOM 1758 O TYR B 19 -5.002 4.797 7.148 1.00 0.00 O ATOM 1759 CB TYR B 19 -4.515 2.352 8.727 1.00 0.00 C ATOM 1760 CG TYR B 19 -3.294 2.203 9.610 1.00 0.00 C ATOM 1761 CD1 TYR B 19 -3.354 2.466 10.974 1.00 0.00 C ATOM 1762 CD2 TYR B 19 -2.080 1.786 9.079 1.00 0.00 C ATOM 1763 CE1 TYR B 19 -2.239 2.327 11.779 1.00 0.00 C ATOM 1764 CE2 TYR B 19 -0.962 1.644 9.877 1.00 0.00 C ATOM 1765 CZ TYR B 19 -1.046 1.915 11.225 1.00 0.00 C ATOM 1766 OH TYR B 19 0.066 1.774 12.023 1.00 0.00 O ATOM 0 H TYR B 19 -6.943 2.293 8.319 1.00 0.00 H new ATOM 0 HA TYR B 19 -5.338 3.694 10.194 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -5.084 1.422 8.752 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -4.190 2.499 7.697 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -4.288 2.785 11.412 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -2.009 1.569 8.023 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -2.302 2.540 12.836 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -0.026 1.322 9.446 1.00 0.00 H new ATOM 0 HH TYR B 19 0.643 1.071 11.658 1.00 0.00 H new ATOM 1776 N GLY B 20 -4.731 5.827 9.131 1.00 0.00 N ATOM 1777 CA GLY B 20 -4.335 7.084 8.525 1.00 0.00 C ATOM 1778 C GLY B 20 -5.504 8.032 8.335 1.00 0.00 C ATOM 1779 O GLY B 20 -5.551 8.779 7.357 1.00 0.00 O ATOM 0 H GLY B 20 -4.751 5.831 10.151 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -3.581 7.563 9.150 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -3.870 6.887 7.559 1.00 0.00 H new ATOM 1783 N ASN B 21 -6.447 8.003 9.271 1.00 0.00 N ATOM 1784 CA ASN B 21 -7.618 8.870 9.204 1.00 0.00 C ATOM 1785 C ASN B 21 -7.447 10.087 10.107 1.00 0.00 C ATOM 1786 O ASN B 21 -8.411 10.791 10.408 1.00 0.00 O ATOM 1787 CB ASN B 21 -8.876 8.097 9.606 1.00 0.00 C ATOM 1788 CG ASN B 21 -10.064 8.423 8.722 1.00 0.00 C ATOM 1789 OD1 ASN B 21 -10.458 7.625 7.872 1.00 0.00 O ATOM 1790 ND2 ASN B 21 -10.644 9.601 8.920 1.00 0.00 N ATOM 0 H ASN B 21 -6.423 7.389 10.085 1.00 0.00 H new ATOM 0 HA ASN B 21 -7.724 9.214 8.175 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -8.673 7.027 9.556 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -9.124 8.327 10.642 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -11.449 9.874 8.356 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -10.285 10.232 9.636 1.00 0.00 H new ATOM 1797 N ILE B 22 -6.211 10.329 10.533 1.00 0.00 N ATOM 1798 CA ILE B 22 -5.909 11.461 11.402 1.00 0.00 C ATOM 1799 C ILE B 22 -5.070 12.503 10.669 1.00 0.00 C ATOM 1800 O ILE B 22 -4.605 13.457 11.327 1.00 0.00 O ATOM 1801 CB ILE B 22 -5.161 11.014 12.674 1.00 0.00 C ATOM 1802 CG1 ILE B 22 -5.500 9.560 13.013 1.00 0.00 C ATOM 1803 CG2 ILE B 22 -5.506 11.927 13.841 1.00 0.00 C ATOM 1804 CD1 ILE B 22 -4.421 8.578 12.610 1.00 0.00 C ATOM 1805 OXT ILE B 22 -4.886 12.355 9.442 1.00 0.00 O ATOM 0 H ILE B 22 -5.403 9.756 10.290 1.00 0.00 H new ATOM 0 HA ILE B 22 -6.863 11.902 11.691 1.00 0.00 H new ATOM 0 HB ILE B 22 -4.089 11.083 12.486 1.00 0.00 H new ATOM 0 HG12 ILE B 22 -5.674 9.477 14.086 1.00 0.00 H new ATOM 0 HG13 ILE B 22 -6.432 9.287 12.517 1.00 0.00 H new ATOM 0 HG21 ILE B 22 -4.970 11.598 14.731 1.00 0.00 H new ATOM 0 HG22 ILE B 22 -5.217 12.950 13.601 1.00 0.00 H new ATOM 0 HG23 ILE B 22 -6.579 11.888 14.029 1.00 0.00 H new ATOM 0 HD11 ILE B 22 -4.729 7.568 12.880 1.00 0.00 H new ATOM 0 HD12 ILE B 22 -4.263 8.633 11.533 1.00 0.00 H new ATOM 0 HD13 ILE B 22 -3.493 8.825 13.126 1.00 0.00 H new TER 1817 ILE B 22