USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 955 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 28 ASN : amide:sc= -0.577 K(o=-0.74,f=-1.3) USER MOD Set 1.2: A 29 THR OG1 : rot -140:sc= -0.479 USER MOD Set 1.3: A 32 THR OG1 : rot 141:sc= 0.321 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0656 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 15:sc= 0.455 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 50:sc= -1.51 USER MOD Single : A 15 SER OG : rot -110:sc= -3.61! USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.107 USER MOD Single : A 26 CYS SG : rot 93:sc= 0.869 USER MOD Single : A 27 GLN : amide:sc= -0.0202 K(o=-0.02,f=-1.3) USER MOD Single : A 37 SER OG : rot -40:sc= 0.715 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 73:sc= 0.00102 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.11) USER MOD Single : A 50 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.29) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.4) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -22:sc= -0.0874 USER MOD Single : A 79 CYS SG : rot -30:sc= -2.8 USER MOD Single : A 83 MET CE :methyl -123:sc= -1.82! (180deg=-2.18) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.758 K(o=-0.76,f=-4.3!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -2.13! C(o=-3.3!,f=-2.1!) USER MOD Single : A 104 GLN : amide:sc= -0.0682 K(o=-0.068,f=-0.71) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0.0681 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 42:sc= 0.183 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.941 -17.089 11.614 1.00 33.04 N ATOM 2 CA GLY A 1 -5.504 -18.043 12.619 1.00 61.22 C ATOM 3 C GLY A 1 -4.057 -18.456 12.434 1.00 30.31 C ATOM 4 O GLY A 1 -3.354 -17.961 11.552 1.00 31.24 O ATOM 0 H1 GLY A 1 -6.430 -16.296 12.077 1.00 33.04 H new ATOM 0 H2 GLY A 1 -5.115 -16.730 11.094 1.00 33.04 H new ATOM 0 H3 GLY A 1 -6.592 -17.557 10.951 1.00 33.04 H new ATOM 0 HA2 GLY A 1 -5.630 -17.606 13.610 1.00 61.22 H new ATOM 0 HA3 GLY A 1 -6.140 -18.928 12.577 1.00 61.22 H new ATOM 7 N PRO A 2 -3.590 -19.385 13.283 1.00 33.41 N ATOM 8 CA PRO A 2 -2.213 -19.884 13.230 1.00 35.35 C ATOM 9 C PRO A 2 -1.954 -20.742 11.996 1.00 74.10 C ATOM 10 O PRO A 2 -2.385 -21.893 11.927 1.00 22.31 O ATOM 11 CB PRO A 2 -2.094 -20.727 14.502 1.00 21.33 C ATOM 12 CG PRO A 2 -3.489 -21.149 14.810 1.00 55.54 C ATOM 13 CD PRO A 2 -4.371 -20.018 14.359 1.00 71.01 C ATOM 0 HA PRO A 2 -1.487 -19.073 13.169 1.00 35.35 H new ATOM 0 HB2 PRO A 2 -1.445 -21.589 14.346 1.00 21.33 H new ATOM 0 HB3 PRO A 2 -1.665 -20.149 15.321 1.00 21.33 H new ATOM 0 HG2 PRO A 2 -3.742 -22.073 14.289 1.00 55.54 H new ATOM 0 HG3 PRO A 2 -3.613 -21.340 15.876 1.00 55.54 H new ATOM 0 HD2 PRO A 2 -5.334 -20.379 13.998 1.00 71.01 H new ATOM 0 HD3 PRO A 2 -4.576 -19.320 15.171 1.00 71.01 H new ATOM 21 N LEU A 3 -1.250 -20.174 11.024 1.00 2.14 N ATOM 22 CA LEU A 3 -0.932 -20.886 9.793 1.00 63.42 C ATOM 23 C LEU A 3 0.390 -20.401 9.207 1.00 22.55 C ATOM 24 O LEU A 3 0.568 -20.370 7.990 1.00 73.21 O ATOM 25 CB LEU A 3 -2.054 -20.701 8.769 1.00 43.23 C ATOM 26 CG LEU A 3 -3.352 -21.457 9.052 1.00 31.42 C ATOM 27 CD1 LEU A 3 -4.403 -20.519 9.626 1.00 45.33 C ATOM 28 CD2 LEU A 3 -3.867 -22.128 7.787 1.00 72.25 C ATOM 0 H LEU A 3 -0.888 -19.221 11.065 1.00 2.14 H new ATOM 0 HA LEU A 3 -0.835 -21.945 10.031 1.00 63.42 H new ATOM 0 HB2 LEU A 3 -2.284 -19.638 8.700 1.00 43.23 H new ATOM 0 HB3 LEU A 3 -1.682 -21.011 7.792 1.00 43.23 H new ATOM 0 HG LEU A 3 -3.144 -22.231 9.790 1.00 31.42 H new ATOM 0 HD11 LEU A 3 -5.320 -21.075 9.821 1.00 45.33 H new ATOM 0 HD12 LEU A 3 -4.036 -20.087 10.557 1.00 45.33 H new ATOM 0 HD13 LEU A 3 -4.608 -19.721 8.912 1.00 45.33 H new ATOM 0 HD21 LEU A 3 -4.792 -22.661 8.009 1.00 72.25 H new ATOM 0 HD22 LEU A 3 -4.058 -21.372 7.026 1.00 72.25 H new ATOM 0 HD23 LEU A 3 -3.121 -22.833 7.419 1.00 72.25 H new ATOM 40 N GLY A 4 1.317 -20.026 10.082 1.00 0.10 N ATOM 41 CA GLY A 4 2.611 -19.549 9.634 1.00 2.53 C ATOM 42 C GLY A 4 3.690 -20.609 9.747 1.00 4.24 C ATOM 43 O GLY A 4 4.233 -20.840 10.826 1.00 33.01 O ATOM 0 H GLY A 4 1.194 -20.044 11.094 1.00 0.10 H new ATOM 0 HA2 GLY A 4 2.535 -19.221 8.597 1.00 2.53 H new ATOM 0 HA3 GLY A 4 2.898 -18.678 10.224 1.00 2.53 H new ATOM 47 N SER A 5 4.001 -21.255 8.628 1.00 0.00 N ATOM 48 CA SER A 5 5.017 -22.301 8.606 1.00 3.15 C ATOM 49 C SER A 5 6.026 -22.054 7.488 1.00 70.31 C ATOM 50 O SER A 5 5.977 -21.029 6.808 1.00 31.55 O ATOM 51 CB SER A 5 4.366 -23.672 8.426 1.00 74.40 C ATOM 52 OG SER A 5 2.960 -23.594 8.587 1.00 60.02 O ATOM 0 H SER A 5 3.564 -21.073 7.725 1.00 0.00 H new ATOM 0 HA SER A 5 5.544 -22.280 9.560 1.00 3.15 H new ATOM 0 HB2 SER A 5 4.601 -24.062 7.436 1.00 74.40 H new ATOM 0 HB3 SER A 5 4.780 -24.373 9.151 1.00 74.40 H new ATOM 0 HG SER A 5 2.567 -24.483 8.465 1.00 60.02 H new ATOM 58 N MET A 6 6.939 -23.002 7.305 1.00 43.13 N ATOM 59 CA MET A 6 7.960 -22.889 6.268 1.00 20.43 C ATOM 60 C MET A 6 7.321 -22.730 4.891 1.00 71.14 C ATOM 61 O MET A 6 6.138 -23.017 4.709 1.00 1.30 O ATOM 62 CB MET A 6 8.870 -24.119 6.282 1.00 51.12 C ATOM 63 CG MET A 6 10.323 -23.802 5.971 1.00 11.31 C ATOM 64 SD MET A 6 11.246 -23.278 7.430 1.00 70.03 S ATOM 65 CE MET A 6 12.673 -22.507 6.668 1.00 61.13 C ATOM 0 H MET A 6 6.993 -23.856 7.860 1.00 43.13 H new ATOM 0 HA MET A 6 8.558 -22.002 6.476 1.00 20.43 H new ATOM 0 HB2 MET A 6 8.812 -24.593 7.262 1.00 51.12 H new ATOM 0 HB3 MET A 6 8.501 -24.843 5.555 1.00 51.12 H new ATOM 0 HG2 MET A 6 10.799 -24.683 5.541 1.00 11.31 H new ATOM 0 HG3 MET A 6 10.366 -23.016 5.217 1.00 11.31 H new ATOM 0 HE1 MET A 6 13.341 -22.131 7.443 1.00 61.13 H new ATOM 0 HE2 MET A 6 13.201 -23.240 6.058 1.00 61.13 H new ATOM 0 HE3 MET A 6 12.346 -21.679 6.038 1.00 61.13 H new ATOM 75 N ALA A 7 8.111 -22.272 3.926 1.00 13.34 N ATOM 76 CA ALA A 7 7.623 -22.076 2.567 1.00 4.54 C ATOM 77 C ALA A 7 7.082 -23.379 1.987 1.00 22.21 C ATOM 78 O ALA A 7 7.394 -24.465 2.475 1.00 54.32 O ATOM 79 CB ALA A 7 8.731 -21.522 1.683 1.00 12.22 C ATOM 0 H ALA A 7 9.093 -22.030 4.060 1.00 13.34 H new ATOM 0 HA ALA A 7 6.806 -21.355 2.600 1.00 4.54 H new ATOM 0 HB1 ALA A 7 8.352 -21.381 0.671 1.00 12.22 H new ATOM 0 HB2 ALA A 7 9.070 -20.565 2.081 1.00 12.22 H new ATOM 0 HB3 ALA A 7 9.566 -22.223 1.664 1.00 12.22 H new ATOM 85 N SER A 8 6.269 -23.262 0.940 1.00 1.22 N ATOM 86 CA SER A 8 5.682 -24.429 0.295 1.00 31.54 C ATOM 87 C SER A 8 5.367 -24.141 -1.169 1.00 32.13 C ATOM 88 O SER A 8 4.399 -23.448 -1.482 1.00 44.33 O ATOM 89 CB SER A 8 4.408 -24.856 1.027 1.00 11.24 C ATOM 90 OG SER A 8 4.716 -25.583 2.206 1.00 41.33 O ATOM 0 H SER A 8 6.003 -22.370 0.522 1.00 1.22 H new ATOM 0 HA SER A 8 6.408 -25.240 0.339 1.00 31.54 H new ATOM 0 HB2 SER A 8 3.819 -23.975 1.283 1.00 11.24 H new ATOM 0 HB3 SER A 8 3.794 -25.470 0.368 1.00 11.24 H new ATOM 0 HG SER A 8 5.662 -25.458 2.429 1.00 41.33 H new ATOM 96 N ALA A 9 6.192 -24.677 -2.062 1.00 25.30 N ATOM 97 CA ALA A 9 6.002 -24.479 -3.494 1.00 34.10 C ATOM 98 C ALA A 9 6.111 -23.003 -3.863 1.00 71.42 C ATOM 99 O ALA A 9 5.110 -22.286 -3.898 1.00 2.42 O ATOM 100 CB ALA A 9 4.654 -25.037 -3.929 1.00 52.20 C ATOM 0 H ALA A 9 6.999 -25.252 -1.819 1.00 25.30 H new ATOM 0 HA ALA A 9 6.792 -25.016 -4.019 1.00 34.10 H new ATOM 0 HB1 ALA A 9 4.525 -24.883 -5.000 1.00 52.20 H new ATOM 0 HB2 ALA A 9 4.614 -26.104 -3.709 1.00 52.20 H new ATOM 0 HB3 ALA A 9 3.857 -24.525 -3.390 1.00 52.20 H new ATOM 106 N THR A 10 7.331 -22.557 -4.140 1.00 51.41 N ATOM 107 CA THR A 10 7.571 -21.166 -4.505 1.00 14.44 C ATOM 108 C THR A 10 8.729 -21.047 -5.487 1.00 23.20 C ATOM 109 O THR A 10 9.541 -21.964 -5.621 1.00 0.11 O ATOM 110 CB THR A 10 7.874 -20.303 -3.265 1.00 20.33 C ATOM 111 OG1 THR A 10 8.136 -18.952 -3.659 1.00 62.31 O ATOM 112 CG2 THR A 10 9.069 -20.855 -2.501 1.00 73.31 C ATOM 0 H THR A 10 8.169 -23.138 -4.119 1.00 51.41 H new ATOM 0 HA THR A 10 6.659 -20.802 -4.977 1.00 14.44 H new ATOM 0 HB THR A 10 7.002 -20.327 -2.612 1.00 20.33 H new ATOM 0 HG1 THR A 10 8.326 -18.411 -2.865 1.00 62.31 H new ATOM 0 HG21 THR A 10 9.264 -20.230 -1.630 1.00 73.31 H new ATOM 0 HG22 THR A 10 8.854 -21.873 -2.176 1.00 73.31 H new ATOM 0 HG23 THR A 10 9.945 -20.858 -3.149 1.00 73.31 H new ATOM 120 N LEU A 11 8.803 -19.912 -6.174 1.00 11.23 N ATOM 121 CA LEU A 11 9.865 -19.674 -7.145 1.00 62.24 C ATOM 122 C LEU A 11 10.717 -18.476 -6.738 1.00 11.42 C ATOM 123 O LEU A 11 11.853 -18.633 -6.293 1.00 32.31 O ATOM 124 CB LEU A 11 9.269 -19.439 -8.535 1.00 11.11 C ATOM 125 CG LEU A 11 8.828 -20.691 -9.295 1.00 44.43 C ATOM 126 CD1 LEU A 11 7.376 -21.019 -8.987 1.00 32.24 C ATOM 127 CD2 LEU A 11 9.028 -20.503 -10.792 1.00 73.23 C ATOM 0 H LEU A 11 8.140 -19.143 -6.077 1.00 11.23 H new ATOM 0 HA LEU A 11 10.502 -20.558 -7.173 1.00 62.24 H new ATOM 0 HB2 LEU A 11 8.408 -18.778 -8.433 1.00 11.11 H new ATOM 0 HB3 LEU A 11 10.006 -18.911 -9.140 1.00 11.11 H new ATOM 0 HG LEU A 11 9.445 -21.528 -8.968 1.00 44.43 H new ATOM 0 HD11 LEU A 11 7.080 -21.913 -9.537 1.00 32.24 H new ATOM 0 HD12 LEU A 11 7.262 -21.197 -7.918 1.00 32.24 H new ATOM 0 HD13 LEU A 11 6.743 -20.183 -9.286 1.00 32.24 H new ATOM 0 HD21 LEU A 11 8.709 -21.403 -11.318 1.00 73.23 H new ATOM 0 HD22 LEU A 11 8.436 -19.654 -11.134 1.00 73.23 H new ATOM 0 HD23 LEU A 11 10.082 -20.317 -10.998 1.00 73.23 H new ATOM 139 N GLY A 12 10.159 -17.279 -6.890 1.00 43.22 N ATOM 140 CA GLY A 12 10.881 -16.073 -6.531 1.00 11.40 C ATOM 141 C GLY A 12 10.602 -14.926 -7.481 1.00 4.21 C ATOM 142 O GLY A 12 10.433 -15.134 -8.682 1.00 71.20 O ATOM 0 H GLY A 12 9.220 -17.123 -7.255 1.00 43.22 H new ATOM 0 HA2 GLY A 12 10.607 -15.777 -5.518 1.00 11.40 H new ATOM 0 HA3 GLY A 12 11.951 -16.282 -6.523 1.00 11.40 H new ATOM 146 N SER A 13 10.557 -13.711 -6.943 1.00 34.50 N ATOM 147 CA SER A 13 10.291 -12.526 -7.752 1.00 63.01 C ATOM 148 C SER A 13 10.334 -11.264 -6.897 1.00 4.22 C ATOM 149 O SER A 13 10.045 -11.301 -5.700 1.00 61.44 O ATOM 150 CB SER A 13 8.929 -12.645 -8.437 1.00 74.33 C ATOM 151 OG SER A 13 7.918 -12.989 -7.506 1.00 74.20 O ATOM 0 H SER A 13 10.701 -13.521 -5.951 1.00 34.50 H new ATOM 0 HA SER A 13 11.068 -12.455 -8.514 1.00 63.01 H new ATOM 0 HB2 SER A 13 8.677 -11.700 -8.919 1.00 74.33 H new ATOM 0 HB3 SER A 13 8.978 -13.400 -9.221 1.00 74.33 H new ATOM 0 HG SER A 13 7.057 -13.057 -7.969 1.00 74.20 H new ATOM 157 N SER A 14 10.700 -10.147 -7.519 1.00 60.52 N ATOM 158 CA SER A 14 10.786 -8.874 -6.815 1.00 70.01 C ATOM 159 C SER A 14 11.782 -8.955 -5.662 1.00 30.54 C ATOM 160 O SER A 14 12.487 -9.952 -5.505 1.00 65.25 O ATOM 161 CB SER A 14 9.410 -8.465 -6.288 1.00 55.14 C ATOM 162 OG SER A 14 9.264 -7.055 -6.283 1.00 14.53 O ATOM 0 H SER A 14 10.941 -10.099 -8.509 1.00 60.52 H new ATOM 0 HA SER A 14 11.136 -8.120 -7.521 1.00 70.01 H new ATOM 0 HB2 SER A 14 8.632 -8.912 -6.907 1.00 55.14 H new ATOM 0 HB3 SER A 14 9.274 -8.851 -5.278 1.00 55.14 H new ATOM 0 HG SER A 14 9.522 -6.696 -7.158 1.00 14.53 H new ATOM 168 N SER A 15 11.832 -7.901 -4.855 1.00 41.12 N ATOM 169 CA SER A 15 12.743 -7.850 -3.718 1.00 44.24 C ATOM 170 C SER A 15 12.586 -9.088 -2.841 1.00 61.21 C ATOM 171 O SER A 15 13.559 -9.593 -2.279 1.00 51.35 O ATOM 172 CB SER A 15 12.491 -6.589 -2.890 1.00 73.31 C ATOM 173 OG SER A 15 11.897 -5.572 -3.678 1.00 3.53 O ATOM 0 H SER A 15 11.252 -7.070 -4.967 1.00 41.12 H new ATOM 0 HA SER A 15 13.763 -7.825 -4.102 1.00 44.24 H new ATOM 0 HB2 SER A 15 11.841 -6.827 -2.048 1.00 73.31 H new ATOM 0 HB3 SER A 15 13.432 -6.229 -2.475 1.00 73.31 H new ATOM 0 HG SER A 15 12.543 -4.848 -3.819 1.00 3.53 H new ATOM 179 N SER A 16 11.354 -9.574 -2.728 1.00 53.12 N ATOM 180 CA SER A 16 11.067 -10.751 -1.917 1.00 2.14 C ATOM 181 C SER A 16 11.234 -10.441 -0.432 1.00 3.25 C ATOM 182 O SER A 16 10.255 -10.282 0.295 1.00 20.13 O ATOM 183 CB SER A 16 11.985 -11.907 -2.316 1.00 35.35 C ATOM 184 OG SER A 16 11.244 -12.976 -2.880 1.00 53.43 O ATOM 0 H SER A 16 10.538 -9.170 -3.188 1.00 53.12 H new ATOM 0 HA SER A 16 10.032 -11.042 -2.095 1.00 2.14 H new ATOM 0 HB2 SER A 16 12.726 -11.556 -3.034 1.00 35.35 H new ATOM 0 HB3 SER A 16 12.531 -12.261 -1.441 1.00 35.35 H new ATOM 0 HG SER A 16 11.854 -13.702 -3.128 1.00 53.43 H new ATOM 190 N SER A 17 12.486 -10.357 0.011 1.00 61.43 N ATOM 191 CA SER A 17 12.784 -10.071 1.409 1.00 52.34 C ATOM 192 C SER A 17 12.698 -8.574 1.687 1.00 42.12 C ATOM 193 O SER A 17 13.715 -7.905 1.864 1.00 45.33 O ATOM 194 CB SER A 17 14.178 -10.590 1.770 1.00 61.15 C ATOM 195 OG SER A 17 14.136 -11.961 2.125 1.00 41.42 O ATOM 0 H SER A 17 13.309 -10.483 -0.578 1.00 61.43 H new ATOM 0 HA SER A 17 12.043 -10.580 2.026 1.00 52.34 H new ATOM 0 HB2 SER A 17 14.851 -10.451 0.924 1.00 61.15 H new ATOM 0 HB3 SER A 17 14.582 -10.009 2.599 1.00 61.15 H new ATOM 0 HG SER A 17 15.039 -12.269 2.349 1.00 41.42 H new ATOM 201 N ALA A 18 11.475 -8.054 1.723 1.00 11.42 N ATOM 202 CA ALA A 18 11.254 -6.638 1.982 1.00 43.40 C ATOM 203 C ALA A 18 9.770 -6.335 2.147 1.00 73.24 C ATOM 204 O ALA A 18 8.918 -7.034 1.599 1.00 63.43 O ATOM 205 CB ALA A 18 11.845 -5.797 0.859 1.00 23.01 C ATOM 0 H ALA A 18 10.622 -8.594 1.576 1.00 11.42 H new ATOM 0 HA ALA A 18 11.756 -6.382 2.915 1.00 43.40 H new ATOM 0 HB1 ALA A 18 11.672 -4.741 1.066 1.00 23.01 H new ATOM 0 HB2 ALA A 18 12.917 -5.983 0.791 1.00 23.01 H new ATOM 0 HB3 ALA A 18 11.369 -6.064 -0.085 1.00 23.01 H new ATOM 211 N SER A 19 9.464 -5.287 2.905 1.00 54.41 N ATOM 212 CA SER A 19 8.080 -4.893 3.145 1.00 21.15 C ATOM 213 C SER A 19 7.338 -5.972 3.930 1.00 43.50 C ATOM 214 O SER A 19 6.440 -6.641 3.417 1.00 41.44 O ATOM 215 CB SER A 19 7.366 -4.627 1.819 1.00 23.43 C ATOM 216 OG SER A 19 8.273 -4.158 0.837 1.00 74.13 O ATOM 0 H SER A 19 10.156 -4.695 3.364 1.00 54.41 H new ATOM 0 HA SER A 19 8.085 -3.977 3.735 1.00 21.15 H new ATOM 0 HB2 SER A 19 6.888 -5.542 1.470 1.00 23.43 H new ATOM 0 HB3 SER A 19 6.575 -3.892 1.969 1.00 23.43 H new ATOM 0 HG SER A 19 7.793 -3.997 -0.002 1.00 74.13 H new ATOM 222 N PRO A 20 7.720 -6.145 5.204 1.00 63.30 N ATOM 223 CA PRO A 20 7.104 -7.140 6.087 1.00 62.42 C ATOM 224 C PRO A 20 5.673 -6.774 6.463 1.00 70.11 C ATOM 225 O PRO A 20 4.791 -7.632 6.498 1.00 41.44 O ATOM 226 CB PRO A 20 8.004 -7.121 7.325 1.00 62.24 C ATOM 227 CG PRO A 20 8.618 -5.765 7.326 1.00 52.42 C ATOM 228 CD PRO A 20 8.783 -5.382 5.880 1.00 35.54 C ATOM 0 HA PRO A 20 7.031 -8.118 5.611 1.00 62.42 H new ATOM 0 HB2 PRO A 20 7.430 -7.296 8.235 1.00 62.24 H new ATOM 0 HB3 PRO A 20 8.765 -7.900 7.273 1.00 62.24 H new ATOM 0 HG2 PRO A 20 7.983 -5.050 7.849 1.00 52.42 H new ATOM 0 HG3 PRO A 20 9.579 -5.773 7.840 1.00 52.42 H new ATOM 0 HD2 PRO A 20 8.664 -4.309 5.732 1.00 35.54 H new ATOM 0 HD3 PRO A 20 9.771 -5.648 5.504 1.00 35.54 H new ATOM 236 N ALA A 21 5.448 -5.494 6.744 1.00 44.24 N ATOM 237 CA ALA A 21 4.123 -5.014 7.115 1.00 64.13 C ATOM 238 C ALA A 21 3.118 -5.253 5.995 1.00 23.04 C ATOM 239 O ALA A 21 1.955 -5.566 6.247 1.00 75.51 O ATOM 240 CB ALA A 21 4.178 -3.535 7.470 1.00 35.11 C ATOM 0 H ALA A 21 6.167 -4.771 6.722 1.00 44.24 H new ATOM 0 HA ALA A 21 3.793 -5.575 7.989 1.00 64.13 H new ATOM 0 HB1 ALA A 21 3.181 -3.190 7.745 1.00 35.11 H new ATOM 0 HB2 ALA A 21 4.858 -3.387 8.309 1.00 35.11 H new ATOM 0 HB3 ALA A 21 4.534 -2.967 6.610 1.00 35.11 H new ATOM 246 N VAL A 22 3.576 -5.106 4.754 1.00 35.03 N ATOM 247 CA VAL A 22 2.716 -5.308 3.594 1.00 52.14 C ATOM 248 C VAL A 22 2.312 -6.771 3.457 1.00 25.20 C ATOM 249 O VAL A 22 1.138 -7.086 3.259 1.00 32.01 O ATOM 250 CB VAL A 22 3.410 -4.854 2.296 1.00 51.24 C ATOM 251 CG1 VAL A 22 2.411 -4.792 1.149 1.00 12.04 C ATOM 252 CG2 VAL A 22 4.087 -3.506 2.497 1.00 34.34 C ATOM 0 H VAL A 22 4.537 -4.848 4.528 1.00 35.03 H new ATOM 0 HA VAL A 22 1.824 -4.702 3.752 1.00 52.14 H new ATOM 0 HB VAL A 22 4.176 -5.585 2.040 1.00 51.24 H new ATOM 0 HG11 VAL A 22 2.920 -4.469 0.241 1.00 12.04 H new ATOM 0 HG12 VAL A 22 1.977 -5.779 0.991 1.00 12.04 H new ATOM 0 HG13 VAL A 22 1.620 -4.083 1.393 1.00 12.04 H new ATOM 0 HG21 VAL A 22 4.572 -3.201 1.570 1.00 34.34 H new ATOM 0 HG22 VAL A 22 3.341 -2.763 2.778 1.00 34.34 H new ATOM 0 HG23 VAL A 22 4.833 -3.588 3.287 1.00 34.34 H new ATOM 262 N ALA A 23 3.291 -7.662 3.563 1.00 20.12 N ATOM 263 CA ALA A 23 3.037 -9.093 3.454 1.00 41.31 C ATOM 264 C ALA A 23 2.229 -9.601 4.642 1.00 41.32 C ATOM 265 O ALA A 23 1.401 -10.501 4.503 1.00 43.24 O ATOM 266 CB ALA A 23 4.350 -9.855 3.343 1.00 3.52 C ATOM 0 H ALA A 23 4.268 -7.418 3.724 1.00 20.12 H new ATOM 0 HA ALA A 23 2.451 -9.264 2.551 1.00 41.31 H new ATOM 0 HB1 ALA A 23 4.145 -10.923 3.262 1.00 3.52 H new ATOM 0 HB2 ALA A 23 4.891 -9.521 2.457 1.00 3.52 H new ATOM 0 HB3 ALA A 23 4.955 -9.668 4.230 1.00 3.52 H new ATOM 272 N GLU A 24 2.473 -9.016 5.812 1.00 43.54 N ATOM 273 CA GLU A 24 1.768 -9.411 7.025 1.00 73.31 C ATOM 274 C GLU A 24 0.261 -9.230 6.861 1.00 13.23 C ATOM 275 O GLU A 24 -0.529 -10.055 7.324 1.00 44.50 O ATOM 276 CB GLU A 24 2.263 -8.593 8.220 1.00 63.32 C ATOM 277 CG GLU A 24 1.632 -8.999 9.540 1.00 35.54 C ATOM 278 CD GLU A 24 2.638 -9.068 10.671 1.00 2.21 C ATOM 279 OE1 GLU A 24 3.589 -9.873 10.572 1.00 34.52 O ATOM 280 OE2 GLU A 24 2.477 -8.319 11.657 1.00 43.44 O ATOM 0 H GLU A 24 3.153 -8.268 5.944 1.00 43.54 H new ATOM 0 HA GLU A 24 1.973 -10.466 7.206 1.00 73.31 H new ATOM 0 HB2 GLU A 24 3.345 -8.697 8.297 1.00 63.32 H new ATOM 0 HB3 GLU A 24 2.057 -7.538 8.038 1.00 63.32 H new ATOM 0 HG2 GLU A 24 0.849 -8.286 9.798 1.00 35.54 H new ATOM 0 HG3 GLU A 24 1.153 -9.971 9.425 1.00 35.54 H new ATOM 287 N LEU A 25 -0.130 -8.148 6.199 1.00 52.34 N ATOM 288 CA LEU A 25 -1.543 -7.857 5.974 1.00 45.45 C ATOM 289 C LEU A 25 -2.134 -8.805 4.936 1.00 73.24 C ATOM 290 O LEU A 25 -3.316 -9.147 4.996 1.00 11.05 O ATOM 291 CB LEU A 25 -1.718 -6.407 5.517 1.00 31.53 C ATOM 292 CG LEU A 25 -1.591 -6.158 4.014 1.00 62.42 C ATOM 293 CD1 LEU A 25 -2.966 -6.023 3.376 1.00 3.44 C ATOM 294 CD2 LEU A 25 -0.753 -4.916 3.748 1.00 75.33 C ATOM 0 H LEU A 25 0.510 -7.457 5.808 1.00 52.34 H new ATOM 0 HA LEU A 25 -2.074 -8.001 6.915 1.00 45.45 H new ATOM 0 HB2 LEU A 25 -2.700 -6.061 5.841 1.00 31.53 H new ATOM 0 HB3 LEU A 25 -0.978 -5.793 6.031 1.00 31.53 H new ATOM 0 HG LEU A 25 -1.088 -7.014 3.565 1.00 62.42 H new ATOM 0 HD11 LEU A 25 -2.855 -5.846 2.306 1.00 3.44 H new ATOM 0 HD12 LEU A 25 -3.533 -6.940 3.535 1.00 3.44 H new ATOM 0 HD13 LEU A 25 -3.497 -5.186 3.829 1.00 3.44 H new ATOM 0 HD21 LEU A 25 -0.673 -4.754 2.673 1.00 75.33 H new ATOM 0 HD22 LEU A 25 -1.228 -4.051 4.211 1.00 75.33 H new ATOM 0 HD23 LEU A 25 0.243 -5.052 4.169 1.00 75.33 H new ATOM 306 N CYS A 26 -1.305 -9.227 3.987 1.00 73.42 N ATOM 307 CA CYS A 26 -1.747 -10.137 2.936 1.00 33.15 C ATOM 308 C CYS A 26 -2.247 -11.451 3.529 1.00 55.13 C ATOM 309 O CYS A 26 -2.983 -12.194 2.882 1.00 53.14 O ATOM 310 CB CYS A 26 -0.605 -10.408 1.955 1.00 53.13 C ATOM 311 SG CYS A 26 -1.064 -11.466 0.563 1.00 2.22 S ATOM 0 H CYS A 26 -0.324 -8.954 3.924 1.00 73.42 H new ATOM 0 HA CYS A 26 -2.571 -9.664 2.402 1.00 33.15 H new ATOM 0 HB2 CYS A 26 -0.238 -9.457 1.569 1.00 53.13 H new ATOM 0 HB3 CYS A 26 0.220 -10.873 2.494 1.00 53.13 H new ATOM 0 HG CYS A 26 -1.427 -10.727 -0.443 1.00 2.22 H new ATOM 317 N GLN A 27 -1.839 -11.730 4.764 1.00 53.45 N ATOM 318 CA GLN A 27 -2.245 -12.954 5.442 1.00 14.34 C ATOM 319 C GLN A 27 -3.743 -12.949 5.727 1.00 1.34 C ATOM 320 O GLN A 27 -4.326 -13.982 6.051 1.00 25.33 O ATOM 321 CB GLN A 27 -1.465 -13.120 6.748 1.00 43.20 C ATOM 322 CG GLN A 27 0.041 -12.988 6.580 1.00 73.02 C ATOM 323 CD GLN A 27 0.805 -13.404 7.820 1.00 31.33 C ATOM 324 OE1 GLN A 27 0.248 -14.024 8.729 1.00 61.01 O ATOM 325 NE2 GLN A 27 2.087 -13.066 7.867 1.00 4.21 N ATOM 0 H GLN A 27 -1.229 -11.125 5.314 1.00 53.45 H new ATOM 0 HA GLN A 27 -2.023 -13.794 4.784 1.00 14.34 H new ATOM 0 HB2 GLN A 27 -1.809 -12.374 7.464 1.00 43.20 H new ATOM 0 HB3 GLN A 27 -1.690 -14.098 7.174 1.00 43.20 H new ATOM 0 HG2 GLN A 27 0.364 -13.599 5.737 1.00 73.02 H new ATOM 0 HG3 GLN A 27 0.286 -11.954 6.337 1.00 73.02 H new ATOM 0 HE21 GLN A 27 2.508 -12.553 7.092 1.00 4.21 H new ATOM 0 HE22 GLN A 27 2.652 -13.319 8.678 1.00 4.21 H new ATOM 334 N ASN A 28 -4.360 -11.778 5.604 1.00 41.12 N ATOM 335 CA ASN A 28 -5.790 -11.637 5.850 1.00 23.44 C ATOM 336 C ASN A 28 -6.595 -12.045 4.619 1.00 11.04 C ATOM 337 O ASN A 28 -7.578 -12.781 4.721 1.00 44.11 O ATOM 338 CB ASN A 28 -6.123 -10.196 6.236 1.00 14.11 C ATOM 339 CG ASN A 28 -7.462 -10.082 6.942 1.00 45.04 C ATOM 340 OD1 ASN A 28 -8.495 -10.481 6.406 1.00 1.11 O ATOM 341 ND2 ASN A 28 -7.446 -9.533 8.152 1.00 22.41 N ATOM 0 H ASN A 28 -3.891 -10.913 5.335 1.00 41.12 H new ATOM 0 HA ASN A 28 -6.059 -12.297 6.675 1.00 23.44 H new ATOM 0 HB2 ASN A 28 -5.339 -9.806 6.885 1.00 14.11 H new ATOM 0 HB3 ASN A 28 -6.134 -9.576 5.340 1.00 14.11 H new ATOM 0 HD21 ASN A 28 -8.315 -9.428 8.676 1.00 22.41 H new ATOM 0 HD22 ASN A 28 -6.565 -9.216 8.557 1.00 22.41 H new ATOM 348 N THR A 29 -6.172 -11.563 3.455 1.00 25.14 N ATOM 349 CA THR A 29 -6.853 -11.876 2.205 1.00 33.53 C ATOM 350 C THR A 29 -6.075 -11.344 1.007 1.00 51.03 C ATOM 351 O THR A 29 -5.432 -10.294 1.069 1.00 33.44 O ATOM 352 CB THR A 29 -8.277 -11.289 2.179 1.00 21.44 C ATOM 353 OG1 THR A 29 -8.474 -10.430 3.307 1.00 42.41 O ATOM 354 CG2 THR A 29 -9.318 -12.398 2.194 1.00 54.14 C ATOM 0 H THR A 29 -5.360 -10.954 3.352 1.00 25.14 H new ATOM 0 HA THR A 29 -6.914 -12.962 2.142 1.00 33.53 H new ATOM 0 HB THR A 29 -8.392 -10.714 1.260 1.00 21.44 H new ATOM 0 HG1 THR A 29 -9.377 -10.562 3.665 1.00 42.41 H new ATOM 0 HG21 THR A 29 -10.316 -11.960 2.175 1.00 54.14 H new ATOM 0 HG22 THR A 29 -9.184 -13.034 1.319 1.00 54.14 H new ATOM 0 HG23 THR A 29 -9.201 -12.995 3.098 1.00 54.14 H new ATOM 362 N PRO A 30 -6.132 -12.082 -0.111 1.00 54.34 N ATOM 363 CA PRO A 30 -5.439 -11.702 -1.347 1.00 11.15 C ATOM 364 C PRO A 30 -6.061 -10.476 -2.007 1.00 3.22 C ATOM 365 O PRO A 30 -5.364 -9.515 -2.329 1.00 71.35 O ATOM 366 CB PRO A 30 -5.608 -12.934 -2.240 1.00 42.51 C ATOM 367 CG PRO A 30 -6.842 -13.600 -1.739 1.00 11.45 C ATOM 368 CD PRO A 30 -6.878 -13.343 -0.258 1.00 12.12 C ATOM 0 HA PRO A 30 -4.399 -11.429 -1.165 1.00 11.15 H new ATOM 0 HB2 PRO A 30 -5.708 -12.652 -3.288 1.00 42.51 H new ATOM 0 HB3 PRO A 30 -4.745 -13.596 -2.169 1.00 42.51 H new ATOM 0 HG2 PRO A 30 -7.729 -13.196 -2.227 1.00 11.45 H new ATOM 0 HG3 PRO A 30 -6.821 -14.669 -1.949 1.00 11.45 H new ATOM 0 HD2 PRO A 30 -7.900 -13.250 0.109 1.00 12.12 H new ATOM 0 HD3 PRO A 30 -6.411 -14.153 0.302 1.00 12.12 H new ATOM 376 N GLU A 31 -7.375 -10.517 -2.204 1.00 15.53 N ATOM 377 CA GLU A 31 -8.088 -9.408 -2.826 1.00 13.52 C ATOM 378 C GLU A 31 -8.056 -8.171 -1.932 1.00 41.24 C ATOM 379 O GLU A 31 -7.885 -7.049 -2.411 1.00 33.24 O ATOM 380 CB GLU A 31 -9.538 -9.804 -3.114 1.00 52.21 C ATOM 381 CG GLU A 31 -10.324 -8.737 -3.857 1.00 64.15 C ATOM 382 CD GLU A 31 -10.592 -9.109 -5.302 1.00 1.22 C ATOM 383 OE1 GLU A 31 -9.622 -9.430 -6.022 1.00 40.34 O ATOM 384 OE2 GLU A 31 -11.770 -9.081 -5.714 1.00 42.32 O ATOM 0 H GLU A 31 -7.967 -11.306 -1.942 1.00 15.53 H new ATOM 0 HA GLU A 31 -7.589 -9.170 -3.765 1.00 13.52 H new ATOM 0 HB2 GLU A 31 -9.545 -10.723 -3.700 1.00 52.21 H new ATOM 0 HB3 GLU A 31 -10.040 -10.023 -2.172 1.00 52.21 H new ATOM 0 HG2 GLU A 31 -11.273 -8.569 -3.347 1.00 64.15 H new ATOM 0 HG3 GLU A 31 -9.774 -7.797 -3.824 1.00 64.15 H new ATOM 391 N THR A 32 -8.223 -8.383 -0.629 1.00 21.41 N ATOM 392 CA THR A 32 -8.214 -7.288 0.330 1.00 73.03 C ATOM 393 C THR A 32 -6.865 -6.578 0.342 1.00 53.13 C ATOM 394 O THR A 32 -6.801 -5.347 0.347 1.00 10.44 O ATOM 395 CB THR A 32 -8.533 -7.785 1.753 1.00 12.51 C ATOM 396 OG1 THR A 32 -9.842 -8.363 1.788 1.00 12.02 O ATOM 397 CG2 THR A 32 -8.449 -6.644 2.757 1.00 32.42 C ATOM 0 H THR A 32 -8.366 -9.304 -0.215 1.00 21.41 H new ATOM 0 HA THR A 32 -8.987 -6.587 0.016 1.00 73.03 H new ATOM 0 HB THR A 32 -7.796 -8.541 2.024 1.00 12.51 H new ATOM 0 HG1 THR A 32 -9.834 -9.156 2.364 1.00 12.02 H new ATOM 0 HG21 THR A 32 -8.678 -7.019 3.754 1.00 32.42 H new ATOM 0 HG22 THR A 32 -7.442 -6.226 2.749 1.00 32.42 H new ATOM 0 HG23 THR A 32 -9.166 -5.869 2.487 1.00 32.42 H new ATOM 405 N PHE A 33 -5.790 -7.358 0.346 1.00 32.03 N ATOM 406 CA PHE A 33 -4.442 -6.803 0.357 1.00 54.21 C ATOM 407 C PHE A 33 -4.135 -6.091 -0.957 1.00 71.11 C ATOM 408 O PHE A 33 -3.509 -5.031 -0.971 1.00 1.21 O ATOM 409 CB PHE A 33 -3.415 -7.909 0.604 1.00 43.31 C ATOM 410 CG PHE A 33 -2.137 -7.723 -0.166 1.00 74.40 C ATOM 411 CD1 PHE A 33 -1.303 -6.651 0.101 1.00 50.42 C ATOM 412 CD2 PHE A 33 -1.773 -8.622 -1.156 1.00 41.42 C ATOM 413 CE1 PHE A 33 -0.127 -6.477 -0.606 1.00 13.22 C ATOM 414 CE2 PHE A 33 -0.600 -8.453 -1.866 1.00 31.52 C ATOM 415 CZ PHE A 33 0.225 -7.380 -1.589 1.00 21.43 C ATOM 0 H PHE A 33 -5.826 -8.377 0.342 1.00 32.03 H new ATOM 0 HA PHE A 33 -4.383 -6.074 1.166 1.00 54.21 H new ATOM 0 HB2 PHE A 33 -3.186 -7.950 1.669 1.00 43.31 H new ATOM 0 HB3 PHE A 33 -3.855 -8.869 0.336 1.00 43.31 H new ATOM 0 HD1 PHE A 33 -1.574 -5.943 0.870 1.00 50.42 H new ATOM 0 HD2 PHE A 33 -2.413 -9.464 -1.375 1.00 41.42 H new ATOM 0 HE1 PHE A 33 0.515 -5.636 -0.389 1.00 13.22 H new ATOM 0 HE2 PHE A 33 -0.328 -9.159 -2.637 1.00 31.52 H new ATOM 0 HZ PHE A 33 1.144 -7.248 -2.141 1.00 21.43 H new ATOM 425 N LEU A 34 -4.582 -6.681 -2.060 1.00 4.42 N ATOM 426 CA LEU A 34 -4.355 -6.105 -3.381 1.00 31.52 C ATOM 427 C LEU A 34 -4.974 -4.716 -3.482 1.00 52.12 C ATOM 428 O LEU A 34 -4.333 -3.773 -3.944 1.00 71.31 O ATOM 429 CB LEU A 34 -4.940 -7.016 -4.462 1.00 24.23 C ATOM 430 CG LEU A 34 -4.034 -7.299 -5.661 1.00 70.55 C ATOM 431 CD1 LEU A 34 -3.495 -6.002 -6.241 1.00 45.30 C ATOM 432 CD2 LEU A 34 -2.892 -8.222 -5.263 1.00 22.04 C ATOM 0 H LEU A 34 -5.104 -7.558 -2.066 1.00 4.42 H new ATOM 0 HA LEU A 34 -3.279 -6.015 -3.532 1.00 31.52 H new ATOM 0 HB2 LEU A 34 -5.208 -7.967 -4.002 1.00 24.23 H new ATOM 0 HB3 LEU A 34 -5.863 -6.567 -4.827 1.00 24.23 H new ATOM 0 HG LEU A 34 -4.626 -7.798 -6.428 1.00 70.55 H new ATOM 0 HD11 LEU A 34 -2.853 -6.224 -7.093 1.00 45.30 H new ATOM 0 HD12 LEU A 34 -4.326 -5.376 -6.566 1.00 45.30 H new ATOM 0 HD13 LEU A 34 -2.919 -5.475 -5.480 1.00 45.30 H new ATOM 0 HD21 LEU A 34 -2.259 -8.412 -6.130 1.00 22.04 H new ATOM 0 HD22 LEU A 34 -2.301 -7.752 -4.477 1.00 22.04 H new ATOM 0 HD23 LEU A 34 -3.297 -9.165 -4.897 1.00 22.04 H new ATOM 444 N GLU A 35 -6.225 -4.596 -3.044 1.00 5.01 N ATOM 445 CA GLU A 35 -6.929 -3.320 -3.085 1.00 23.12 C ATOM 446 C GLU A 35 -6.409 -2.376 -2.004 1.00 11.13 C ATOM 447 O GLU A 35 -6.148 -1.202 -2.262 1.00 24.51 O ATOM 448 CB GLU A 35 -8.433 -3.536 -2.909 1.00 13.44 C ATOM 449 CG GLU A 35 -9.233 -3.324 -4.183 1.00 3.43 C ATOM 450 CD GLU A 35 -8.607 -4.004 -5.384 1.00 71.03 C ATOM 451 OE1 GLU A 35 -8.842 -5.216 -5.571 1.00 40.22 O ATOM 452 OE2 GLU A 35 -7.881 -3.322 -6.139 1.00 73.20 O ATOM 0 H GLU A 35 -6.770 -5.367 -2.657 1.00 5.01 H new ATOM 0 HA GLU A 35 -6.746 -2.865 -4.058 1.00 23.12 H new ATOM 0 HB2 GLU A 35 -8.606 -4.549 -2.546 1.00 13.44 H new ATOM 0 HB3 GLU A 35 -8.802 -2.856 -2.141 1.00 13.44 H new ATOM 0 HG2 GLU A 35 -10.244 -3.705 -4.040 1.00 3.43 H new ATOM 0 HG3 GLU A 35 -9.320 -2.255 -4.379 1.00 3.43 H new ATOM 459 N ALA A 36 -6.261 -2.901 -0.791 1.00 10.44 N ATOM 460 CA ALA A 36 -5.770 -2.107 0.329 1.00 32.34 C ATOM 461 C ALA A 36 -4.370 -1.569 0.050 1.00 73.24 C ATOM 462 O ALA A 36 -3.978 -0.531 0.580 1.00 54.32 O ATOM 463 CB ALA A 36 -5.774 -2.937 1.605 1.00 50.23 C ATOM 0 H ALA A 36 -6.474 -3.871 -0.560 1.00 10.44 H new ATOM 0 HA ALA A 36 -6.438 -1.256 0.459 1.00 32.34 H new ATOM 0 HB1 ALA A 36 -5.405 -2.332 2.434 1.00 50.23 H new ATOM 0 HB2 ALA A 36 -6.790 -3.267 1.821 1.00 50.23 H new ATOM 0 HB3 ALA A 36 -5.130 -3.807 1.475 1.00 50.23 H new ATOM 469 N SER A 37 -3.622 -2.284 -0.784 1.00 73.52 N ATOM 470 CA SER A 37 -2.265 -1.879 -1.130 1.00 22.43 C ATOM 471 C SER A 37 -2.273 -0.866 -2.270 1.00 74.30 C ATOM 472 O SER A 37 -1.551 0.131 -2.236 1.00 1.31 O ATOM 473 CB SER A 37 -1.432 -3.101 -1.525 1.00 2.43 C ATOM 474 OG SER A 37 -1.852 -3.624 -2.772 1.00 75.43 O ATOM 0 H SER A 37 -3.933 -3.146 -1.232 1.00 73.52 H new ATOM 0 HA SER A 37 -1.818 -1.409 -0.254 1.00 22.43 H new ATOM 0 HB2 SER A 37 -0.379 -2.825 -1.579 1.00 2.43 H new ATOM 0 HB3 SER A 37 -1.521 -3.869 -0.757 1.00 2.43 H new ATOM 0 HG SER A 37 -2.830 -3.598 -2.825 1.00 75.43 H new ATOM 480 N LYS A 38 -3.096 -1.128 -3.281 1.00 15.52 N ATOM 481 CA LYS A 38 -3.201 -0.240 -4.432 1.00 15.32 C ATOM 482 C LYS A 38 -3.527 1.185 -3.992 1.00 31.43 C ATOM 483 O LYS A 38 -2.896 2.143 -4.440 1.00 62.41 O ATOM 484 CB LYS A 38 -4.278 -0.745 -5.395 1.00 5.14 C ATOM 485 CG LYS A 38 -4.106 -0.240 -6.818 1.00 33.23 C ATOM 486 CD LYS A 38 -5.378 -0.418 -7.629 1.00 42.22 C ATOM 487 CE LYS A 38 -5.328 -1.682 -8.474 1.00 43.31 C ATOM 488 NZ LYS A 38 -5.876 -1.459 -9.840 1.00 13.11 N ATOM 0 H LYS A 38 -3.700 -1.949 -3.326 1.00 15.52 H new ATOM 0 HA LYS A 38 -2.238 -0.233 -4.943 1.00 15.32 H new ATOM 0 HB2 LYS A 38 -4.266 -1.835 -5.401 1.00 5.14 H new ATOM 0 HB3 LYS A 38 -5.257 -0.439 -5.025 1.00 5.14 H new ATOM 0 HG2 LYS A 38 -3.829 0.814 -6.800 1.00 33.23 H new ATOM 0 HG3 LYS A 38 -3.288 -0.776 -7.299 1.00 33.23 H new ATOM 0 HD2 LYS A 38 -6.236 -0.462 -6.958 1.00 42.22 H new ATOM 0 HD3 LYS A 38 -5.523 0.448 -8.275 1.00 42.22 H new ATOM 0 HE2 LYS A 38 -4.297 -2.028 -8.549 1.00 43.31 H new ATOM 0 HE3 LYS A 38 -5.894 -2.471 -7.980 1.00 43.31 H new ATOM 0 HZ1 LYS A 38 -5.824 -2.344 -10.384 1.00 13.11 H new ATOM 0 HZ2 LYS A 38 -6.868 -1.153 -9.771 1.00 13.11 H new ATOM 0 HZ3 LYS A 38 -5.320 -0.724 -10.321 1.00 13.11 H new ATOM 502 N LEU A 39 -4.514 1.316 -3.113 1.00 10.10 N ATOM 503 CA LEU A 39 -4.923 2.625 -2.611 1.00 70.43 C ATOM 504 C LEU A 39 -3.762 3.328 -1.918 1.00 4.42 C ATOM 505 O LEU A 39 -3.510 4.511 -2.152 1.00 50.11 O ATOM 506 CB LEU A 39 -6.097 2.476 -1.643 1.00 75.32 C ATOM 507 CG LEU A 39 -7.423 2.026 -2.259 1.00 35.14 C ATOM 508 CD1 LEU A 39 -7.991 0.842 -1.492 1.00 72.52 C ATOM 509 CD2 LEU A 39 -8.418 3.177 -2.282 1.00 34.13 C ATOM 0 H LEU A 39 -5.046 0.533 -2.733 1.00 10.10 H new ATOM 0 HA LEU A 39 -5.236 3.233 -3.460 1.00 70.43 H new ATOM 0 HB2 LEU A 39 -5.817 1.760 -0.871 1.00 75.32 H new ATOM 0 HB3 LEU A 39 -6.256 3.433 -1.147 1.00 75.32 H new ATOM 0 HG LEU A 39 -7.238 1.713 -3.286 1.00 35.14 H new ATOM 0 HD11 LEU A 39 -8.934 0.535 -1.944 1.00 72.52 H new ATOM 0 HD12 LEU A 39 -7.285 0.013 -1.528 1.00 72.52 H new ATOM 0 HD13 LEU A 39 -8.162 1.129 -0.454 1.00 72.52 H new ATOM 0 HD21 LEU A 39 -9.355 2.839 -2.723 1.00 34.13 H new ATOM 0 HD22 LEU A 39 -8.600 3.521 -1.264 1.00 34.13 H new ATOM 0 HD23 LEU A 39 -8.013 3.997 -2.875 1.00 34.13 H new ATOM 521 N LEU A 40 -3.057 2.594 -1.065 1.00 31.21 N ATOM 522 CA LEU A 40 -1.920 3.148 -0.337 1.00 21.24 C ATOM 523 C LEU A 40 -0.853 3.658 -1.301 1.00 31.01 C ATOM 524 O LEU A 40 -0.236 4.698 -1.067 1.00 52.11 O ATOM 525 CB LEU A 40 -1.320 2.091 0.593 1.00 22.30 C ATOM 526 CG LEU A 40 -1.640 2.244 2.079 1.00 63.00 C ATOM 527 CD1 LEU A 40 -2.239 0.960 2.632 1.00 44.31 C ATOM 528 CD2 LEU A 40 -0.390 2.629 2.857 1.00 54.25 C ATOM 0 H LEU A 40 -3.252 1.614 -0.860 1.00 31.21 H new ATOM 0 HA LEU A 40 -2.276 3.988 0.260 1.00 21.24 H new ATOM 0 HB2 LEU A 40 -1.666 1.110 0.267 1.00 22.30 H new ATOM 0 HB3 LEU A 40 -0.237 2.103 0.472 1.00 22.30 H new ATOM 0 HG LEU A 40 -2.375 3.041 2.192 1.00 63.00 H new ATOM 0 HD11 LEU A 40 -2.460 1.089 3.692 1.00 44.31 H new ATOM 0 HD12 LEU A 40 -3.158 0.727 2.095 1.00 44.31 H new ATOM 0 HD13 LEU A 40 -1.528 0.143 2.506 1.00 44.31 H new ATOM 0 HD21 LEU A 40 -0.637 2.734 3.914 1.00 54.25 H new ATOM 0 HD22 LEU A 40 0.367 1.854 2.736 1.00 54.25 H new ATOM 0 HD23 LEU A 40 -0.003 3.576 2.479 1.00 54.25 H new ATOM 540 N LEU A 41 -0.644 2.922 -2.386 1.00 2.24 N ATOM 541 CA LEU A 41 0.347 3.300 -3.388 1.00 40.31 C ATOM 542 C LEU A 41 -0.049 4.599 -4.081 1.00 41.33 C ATOM 543 O LEU A 41 0.783 5.483 -4.293 1.00 42.41 O ATOM 544 CB LEU A 41 0.508 2.185 -4.422 1.00 0.50 C ATOM 545 CG LEU A 41 1.886 2.068 -5.074 1.00 72.51 C ATOM 546 CD1 LEU A 41 1.902 0.934 -6.089 1.00 12.34 C ATOM 547 CD2 LEU A 41 2.275 3.382 -5.737 1.00 22.12 C ATOM 0 H LEU A 41 -1.147 2.060 -2.595 1.00 2.24 H new ATOM 0 HA LEU A 41 1.299 3.456 -2.881 1.00 40.31 H new ATOM 0 HB2 LEU A 41 0.274 1.235 -3.942 1.00 0.50 H new ATOM 0 HB3 LEU A 41 -0.232 2.336 -5.208 1.00 0.50 H new ATOM 0 HG LEU A 41 2.617 1.844 -4.297 1.00 72.51 H new ATOM 0 HD11 LEU A 41 2.891 0.866 -6.543 1.00 12.34 H new ATOM 0 HD12 LEU A 41 1.667 -0.005 -5.589 1.00 12.34 H new ATOM 0 HD13 LEU A 41 1.160 1.128 -6.863 1.00 12.34 H new ATOM 0 HD21 LEU A 41 3.258 3.281 -6.196 1.00 22.12 H new ATOM 0 HD22 LEU A 41 1.541 3.634 -6.503 1.00 22.12 H new ATOM 0 HD23 LEU A 41 2.304 4.173 -4.988 1.00 22.12 H new ATOM 559 N THR A 42 -1.327 4.712 -4.432 1.00 3.01 N ATOM 560 CA THR A 42 -1.834 5.904 -5.099 1.00 71.45 C ATOM 561 C THR A 42 -1.655 7.142 -4.229 1.00 32.05 C ATOM 562 O THR A 42 -1.244 8.197 -4.709 1.00 60.33 O ATOM 563 CB THR A 42 -3.324 5.754 -5.460 1.00 51.10 C ATOM 564 OG1 THR A 42 -3.490 4.730 -6.447 1.00 50.55 O ATOM 565 CG2 THR A 42 -3.890 7.066 -5.983 1.00 12.23 C ATOM 0 H THR A 42 -2.029 3.992 -4.265 1.00 3.01 H new ATOM 0 HA THR A 42 -1.255 6.023 -6.015 1.00 71.45 H new ATOM 0 HB THR A 42 -3.867 5.477 -4.556 1.00 51.10 H new ATOM 0 HG1 THR A 42 -3.347 3.852 -6.035 1.00 50.55 H new ATOM 0 HG21 THR A 42 -4.943 6.935 -6.231 1.00 12.23 H new ATOM 0 HG22 THR A 42 -3.791 7.836 -5.218 1.00 12.23 H new ATOM 0 HG23 THR A 42 -3.342 7.369 -6.875 1.00 12.23 H new ATOM 573 N TYR A 43 -1.965 7.005 -2.944 1.00 60.41 N ATOM 574 CA TYR A 43 -1.840 8.113 -2.005 1.00 64.34 C ATOM 575 C TYR A 43 -0.377 8.499 -1.811 1.00 31.24 C ATOM 576 O TYR A 43 -0.033 9.680 -1.784 1.00 1.45 O ATOM 577 CB TYR A 43 -2.465 7.742 -0.659 1.00 64.24 C ATOM 578 CG TYR A 43 -3.977 7.767 -0.666 1.00 42.44 C ATOM 579 CD1 TYR A 43 -4.670 8.834 -1.226 1.00 32.00 C ATOM 580 CD2 TYR A 43 -4.711 6.726 -0.115 1.00 52.34 C ATOM 581 CE1 TYR A 43 -6.052 8.862 -1.234 1.00 62.32 C ATOM 582 CE2 TYR A 43 -6.093 6.745 -0.119 1.00 31.21 C ATOM 583 CZ TYR A 43 -6.758 7.815 -0.680 1.00 52.23 C ATOM 584 OH TYR A 43 -8.134 7.838 -0.686 1.00 52.34 O ATOM 0 H TYR A 43 -2.305 6.137 -2.529 1.00 60.41 H new ATOM 0 HA TYR A 43 -2.371 8.970 -2.420 1.00 64.34 H new ATOM 0 HB2 TYR A 43 -2.128 6.746 -0.374 1.00 64.24 H new ATOM 0 HB3 TYR A 43 -2.102 8.432 0.103 1.00 64.24 H new ATOM 0 HD1 TYR A 43 -4.120 9.655 -1.662 1.00 32.00 H new ATOM 0 HD2 TYR A 43 -4.193 5.886 0.325 1.00 52.34 H new ATOM 0 HE1 TYR A 43 -6.576 9.699 -1.672 1.00 62.32 H new ATOM 0 HE2 TYR A 43 -6.649 5.927 0.315 1.00 31.21 H new ATOM 0 HH TYR A 43 -8.477 7.026 -0.258 1.00 52.34 H new ATOM 594 N ALA A 44 0.480 7.493 -1.675 1.00 32.42 N ATOM 595 CA ALA A 44 1.907 7.725 -1.485 1.00 2.15 C ATOM 596 C ALA A 44 2.541 8.307 -2.743 1.00 2.20 C ATOM 597 O ALA A 44 3.501 9.073 -2.668 1.00 22.02 O ATOM 598 CB ALA A 44 2.605 6.431 -1.090 1.00 33.35 C ATOM 0 H ALA A 44 0.211 6.509 -1.693 1.00 32.42 H new ATOM 0 HA ALA A 44 2.027 8.450 -0.680 1.00 2.15 H new ATOM 0 HB1 ALA A 44 3.670 6.619 -0.952 1.00 33.35 H new ATOM 0 HB2 ALA A 44 2.179 6.057 -0.159 1.00 33.35 H new ATOM 0 HB3 ALA A 44 2.467 5.689 -1.876 1.00 33.35 H new ATOM 604 N ASP A 45 1.999 7.938 -3.898 1.00 71.42 N ATOM 605 CA ASP A 45 2.512 8.424 -5.174 1.00 72.21 C ATOM 606 C ASP A 45 2.472 9.948 -5.230 1.00 73.21 C ATOM 607 O ASP A 45 3.304 10.576 -5.881 1.00 44.11 O ATOM 608 CB ASP A 45 1.701 7.837 -6.331 1.00 12.43 C ATOM 609 CG ASP A 45 2.567 7.086 -7.322 1.00 25.12 C ATOM 610 OD1 ASP A 45 3.430 7.725 -7.961 1.00 33.34 O ATOM 611 OD2 ASP A 45 2.383 5.858 -7.459 1.00 73.12 O ATOM 0 H ASP A 45 1.204 7.304 -3.977 1.00 71.42 H new ATOM 0 HA ASP A 45 3.549 8.102 -5.268 1.00 72.21 H new ATOM 0 HB2 ASP A 45 0.941 7.164 -5.934 1.00 12.43 H new ATOM 0 HB3 ASP A 45 1.176 8.641 -6.848 1.00 12.43 H new ATOM 616 N ASN A 46 1.497 10.535 -4.543 1.00 1.10 N ATOM 617 CA ASN A 46 1.347 11.986 -4.517 1.00 0.32 C ATOM 618 C ASN A 46 2.575 12.648 -3.896 1.00 74.22 C ATOM 619 O ASN A 46 3.025 13.698 -4.357 1.00 34.43 O ATOM 620 CB ASN A 46 0.093 12.375 -3.732 1.00 52.30 C ATOM 621 CG ASN A 46 -1.177 11.862 -4.381 1.00 32.03 C ATOM 622 OD1 ASN A 46 -1.994 11.201 -3.738 1.00 1.52 O ATOM 623 ND2 ASN A 46 -1.351 12.164 -5.663 1.00 12.15 N ATOM 0 H ASN A 46 0.800 10.029 -3.997 1.00 1.10 H new ATOM 0 HA ASN A 46 1.248 12.335 -5.545 1.00 0.32 H new ATOM 0 HB2 ASN A 46 0.165 11.980 -2.719 1.00 52.30 H new ATOM 0 HB3 ASN A 46 0.042 13.461 -3.648 1.00 52.30 H new ATOM 0 HD21 ASN A 46 -2.187 11.846 -6.153 1.00 12.15 H new ATOM 0 HD22 ASN A 46 -0.649 12.714 -6.157 1.00 12.15 H new ATOM 630 N ILE A 47 3.110 12.026 -2.852 1.00 12.53 N ATOM 631 CA ILE A 47 4.286 12.554 -2.171 1.00 31.25 C ATOM 632 C ILE A 47 5.512 12.509 -3.076 1.00 4.34 C ATOM 633 O ILE A 47 6.252 13.487 -3.186 1.00 43.23 O ATOM 634 CB ILE A 47 4.587 11.772 -0.879 1.00 31.11 C ATOM 635 CG1 ILE A 47 3.539 12.088 0.190 1.00 21.01 C ATOM 636 CG2 ILE A 47 5.984 12.101 -0.373 1.00 24.41 C ATOM 637 CD1 ILE A 47 2.375 11.122 0.200 1.00 22.24 C ATOM 0 H ILE A 47 2.749 11.157 -2.459 1.00 12.53 H new ATOM 0 HA ILE A 47 4.064 13.590 -1.916 1.00 31.25 H new ATOM 0 HB ILE A 47 4.544 10.705 -1.099 1.00 31.11 H new ATOM 0 HG12 ILE A 47 4.017 12.078 1.170 1.00 21.01 H new ATOM 0 HG13 ILE A 47 3.161 13.098 0.029 1.00 21.01 H new ATOM 0 HG21 ILE A 47 6.181 11.540 0.541 1.00 24.41 H new ATOM 0 HG22 ILE A 47 6.719 11.830 -1.131 1.00 24.41 H new ATOM 0 HG23 ILE A 47 6.054 13.169 -0.166 1.00 24.41 H new ATOM 0 HD11 ILE A 47 1.672 11.407 0.983 1.00 22.24 H new ATOM 0 HD12 ILE A 47 1.872 11.148 -0.767 1.00 22.24 H new ATOM 0 HD13 ILE A 47 2.741 10.113 0.391 1.00 22.24 H new ATOM 649 N LEU A 48 5.722 11.368 -3.724 1.00 12.51 N ATOM 650 CA LEU A 48 6.857 11.195 -4.622 1.00 51.11 C ATOM 651 C LEU A 48 6.692 12.045 -5.878 1.00 42.34 C ATOM 652 O LEU A 48 7.672 12.538 -6.438 1.00 74.24 O ATOM 653 CB LEU A 48 7.011 9.722 -5.006 1.00 35.22 C ATOM 654 CG LEU A 48 6.885 8.714 -3.862 1.00 41.55 C ATOM 655 CD1 LEU A 48 6.754 7.301 -4.407 1.00 41.33 C ATOM 656 CD2 LEU A 48 8.083 8.818 -2.927 1.00 42.14 C ATOM 0 H LEU A 48 5.120 10.549 -3.644 1.00 12.51 H new ATOM 0 HA LEU A 48 7.755 11.523 -4.099 1.00 51.11 H new ATOM 0 HB2 LEU A 48 6.260 9.483 -5.759 1.00 35.22 H new ATOM 0 HB3 LEU A 48 7.986 9.589 -5.475 1.00 35.22 H new ATOM 0 HG LEU A 48 5.984 8.947 -3.295 1.00 41.55 H new ATOM 0 HD11 LEU A 48 6.666 6.598 -3.579 1.00 41.33 H new ATOM 0 HD12 LEU A 48 5.866 7.234 -5.036 1.00 41.33 H new ATOM 0 HD13 LEU A 48 7.636 7.056 -4.998 1.00 41.33 H new ATOM 0 HD21 LEU A 48 7.978 8.094 -2.119 1.00 42.14 H new ATOM 0 HD22 LEU A 48 8.997 8.611 -3.483 1.00 42.14 H new ATOM 0 HD23 LEU A 48 8.132 9.824 -2.509 1.00 42.14 H new ATOM 668 N ARG A 49 5.447 12.213 -6.314 1.00 44.23 N ATOM 669 CA ARG A 49 5.154 13.004 -7.503 1.00 62.30 C ATOM 670 C ARG A 49 5.443 14.482 -7.257 1.00 4.43 C ATOM 671 O ARG A 49 6.051 15.152 -8.091 1.00 45.03 O ATOM 672 CB ARG A 49 3.693 12.820 -7.915 1.00 51.11 C ATOM 673 CG ARG A 49 3.439 11.549 -8.708 1.00 10.34 C ATOM 674 CD ARG A 49 4.209 11.545 -10.018 1.00 62.41 C ATOM 675 NE ARG A 49 3.320 11.537 -11.176 1.00 2.21 N ATOM 676 CZ ARG A 49 2.564 10.499 -11.515 1.00 63.51 C ATOM 677 NH1 ARG A 49 2.589 9.390 -10.787 1.00 0.42 N ATOM 678 NH2 ARG A 49 1.780 10.568 -12.583 1.00 31.01 N ATOM 0 H ARG A 49 4.626 11.812 -5.861 1.00 44.23 H new ATOM 0 HA ARG A 49 5.799 12.655 -8.310 1.00 62.30 H new ATOM 0 HB2 ARG A 49 3.071 12.810 -7.020 1.00 51.11 H new ATOM 0 HB3 ARG A 49 3.382 13.678 -8.511 1.00 51.11 H new ATOM 0 HG2 ARG A 49 3.729 10.683 -8.112 1.00 10.34 H new ATOM 0 HG3 ARG A 49 2.372 11.453 -8.912 1.00 10.34 H new ATOM 0 HD2 ARG A 49 4.854 12.423 -10.062 1.00 62.41 H new ATOM 0 HD3 ARG A 49 4.859 10.670 -10.054 1.00 62.41 H new ATOM 0 HE ARG A 49 3.277 12.375 -11.757 1.00 2.21 H new ATOM 0 HH11 ARG A 49 3.190 9.333 -9.965 1.00 0.42 H new ATOM 0 HH12 ARG A 49 2.007 8.594 -11.050 1.00 0.42 H new ATOM 0 HH21 ARG A 49 1.757 11.419 -13.145 1.00 31.01 H new ATOM 0 HH22 ARG A 49 1.200 9.770 -12.842 1.00 31.01 H new ATOM 692 N ASN A 50 5.003 14.982 -6.107 1.00 45.43 N ATOM 693 CA ASN A 50 5.214 16.381 -5.753 1.00 13.22 C ATOM 694 C ASN A 50 5.563 16.522 -4.275 1.00 35.40 C ATOM 695 O ASN A 50 4.779 17.030 -3.472 1.00 23.42 O ATOM 696 CB ASN A 50 3.964 17.204 -6.074 1.00 54.40 C ATOM 697 CG ASN A 50 3.407 16.897 -7.451 1.00 23.21 C ATOM 698 OD1 ASN A 50 3.821 17.490 -8.446 1.00 24.11 O ATOM 699 ND2 ASN A 50 2.463 15.964 -7.512 1.00 45.33 N ATOM 0 H ASN A 50 4.499 14.440 -5.405 1.00 45.43 H new ATOM 0 HA ASN A 50 6.050 16.757 -6.343 1.00 13.22 H new ATOM 0 HB2 ASN A 50 3.199 17.006 -5.323 1.00 54.40 H new ATOM 0 HB3 ASN A 50 4.205 18.265 -6.011 1.00 54.40 H new ATOM 0 HD21 ASN A 50 2.051 15.714 -8.411 1.00 45.33 H new ATOM 0 HD22 ASN A 50 2.151 15.498 -6.660 1.00 45.33 H new ATOM 706 N PRO A 51 6.767 16.061 -3.904 1.00 61.41 N ATOM 707 CA PRO A 51 7.248 16.124 -2.521 1.00 54.24 C ATOM 708 C PRO A 51 7.549 17.552 -2.077 1.00 74.22 C ATOM 709 O PRO A 51 7.717 17.818 -0.887 1.00 42.31 O ATOM 710 CB PRO A 51 8.532 15.293 -2.554 1.00 5.31 C ATOM 711 CG PRO A 51 8.997 15.367 -3.967 1.00 73.54 C ATOM 712 CD PRO A 51 7.752 15.444 -4.808 1.00 62.40 C ATOM 0 HA PRO A 51 6.505 15.757 -1.814 1.00 54.24 H new ATOM 0 HB2 PRO A 51 9.280 15.694 -1.870 1.00 5.31 H new ATOM 0 HB3 PRO A 51 8.344 14.262 -2.253 1.00 5.31 H new ATOM 0 HG2 PRO A 51 9.629 16.241 -4.125 1.00 73.54 H new ATOM 0 HG3 PRO A 51 9.592 14.492 -4.229 1.00 73.54 H new ATOM 0 HD2 PRO A 51 7.908 16.046 -5.703 1.00 62.40 H new ATOM 0 HD3 PRO A 51 7.430 14.457 -5.140 1.00 62.40 H new ATOM 720 N SER A 52 7.613 18.465 -3.040 1.00 74.34 N ATOM 721 CA SER A 52 7.897 19.866 -2.748 1.00 72.53 C ATOM 722 C SER A 52 6.650 20.576 -2.230 1.00 22.51 C ATOM 723 O SER A 52 6.733 21.454 -1.371 1.00 64.40 O ATOM 724 CB SER A 52 8.419 20.573 -3.999 1.00 43.03 C ATOM 725 OG SER A 52 9.641 20.004 -4.435 1.00 14.12 O ATOM 0 H SER A 52 7.472 18.261 -4.029 1.00 74.34 H new ATOM 0 HA SER A 52 8.663 19.903 -1.973 1.00 72.53 H new ATOM 0 HB2 SER A 52 7.678 20.504 -4.795 1.00 43.03 H new ATOM 0 HB3 SER A 52 8.563 21.633 -3.788 1.00 43.03 H new ATOM 0 HG SER A 52 9.952 20.473 -5.237 1.00 14.12 H new ATOM 731 N ASP A 53 5.493 20.190 -2.761 1.00 44.33 N ATOM 732 CA ASP A 53 4.229 20.789 -2.354 1.00 34.24 C ATOM 733 C ASP A 53 3.892 20.419 -0.912 1.00 70.22 C ATOM 734 O ASP A 53 3.632 19.257 -0.604 1.00 52.51 O ATOM 735 CB ASP A 53 3.102 20.336 -3.285 1.00 4.14 C ATOM 736 CG ASP A 53 2.121 21.451 -3.591 1.00 24.22 C ATOM 737 OD1 ASP A 53 1.821 22.245 -2.676 1.00 45.31 O ATOM 738 OD2 ASP A 53 1.652 21.527 -4.747 1.00 13.44 O ATOM 0 H ASP A 53 5.406 19.465 -3.474 1.00 44.33 H new ATOM 0 HA ASP A 53 4.331 21.872 -2.419 1.00 34.24 H new ATOM 0 HB2 ASP A 53 3.531 19.967 -4.217 1.00 4.14 H new ATOM 0 HB3 ASP A 53 2.569 19.503 -2.827 1.00 4.14 H new ATOM 743 N GLU A 54 3.900 21.417 -0.033 1.00 45.24 N ATOM 744 CA GLU A 54 3.599 21.197 1.376 1.00 61.35 C ATOM 745 C GLU A 54 2.241 20.519 1.542 1.00 14.22 C ATOM 746 O GLU A 54 1.979 19.866 2.551 1.00 31.13 O ATOM 747 CB GLU A 54 3.615 22.523 2.138 1.00 23.31 C ATOM 748 CG GLU A 54 5.013 23.060 2.395 1.00 50.44 C ATOM 749 CD GLU A 54 5.046 24.571 2.508 1.00 53.22 C ATOM 750 OE1 GLU A 54 4.664 25.096 3.576 1.00 43.13 O ATOM 751 OE2 GLU A 54 5.453 25.232 1.529 1.00 71.21 O ATOM 0 H GLU A 54 4.112 22.386 -0.273 1.00 45.24 H new ATOM 0 HA GLU A 54 4.367 20.542 1.787 1.00 61.35 H new ATOM 0 HB2 GLU A 54 3.048 23.264 1.574 1.00 23.31 H new ATOM 0 HB3 GLU A 54 3.105 22.390 3.092 1.00 23.31 H new ATOM 0 HG2 GLU A 54 5.403 22.622 3.314 1.00 50.44 H new ATOM 0 HG3 GLU A 54 5.673 22.745 1.587 1.00 50.44 H new ATOM 758 N LYS A 55 1.379 20.682 0.543 1.00 20.42 N ATOM 759 CA LYS A 55 0.049 20.085 0.576 1.00 50.34 C ATOM 760 C LYS A 55 0.134 18.563 0.562 1.00 63.31 C ATOM 761 O LYS A 55 -0.848 17.874 0.843 1.00 52.53 O ATOM 762 CB LYS A 55 -0.779 20.572 -0.617 1.00 44.34 C ATOM 763 CG LYS A 55 -0.207 20.161 -1.962 1.00 61.12 C ATOM 764 CD LYS A 55 -0.751 18.816 -2.412 1.00 74.22 C ATOM 765 CE LYS A 55 -0.514 18.588 -3.897 1.00 73.42 C ATOM 766 NZ LYS A 55 -1.429 17.549 -4.451 1.00 55.43 N ATOM 0 H LYS A 55 1.578 21.222 -0.299 1.00 20.42 H new ATOM 0 HA LYS A 55 -0.438 20.394 1.501 1.00 50.34 H new ATOM 0 HB2 LYS A 55 -1.793 20.182 -0.528 1.00 44.34 H new ATOM 0 HB3 LYS A 55 -0.851 21.659 -0.579 1.00 44.34 H new ATOM 0 HG2 LYS A 55 -0.447 20.919 -2.707 1.00 61.12 H new ATOM 0 HG3 LYS A 55 0.880 20.111 -1.896 1.00 61.12 H new ATOM 0 HD2 LYS A 55 -0.275 18.020 -1.840 1.00 74.22 H new ATOM 0 HD3 LYS A 55 -1.819 18.765 -2.201 1.00 74.22 H new ATOM 0 HE2 LYS A 55 -0.659 19.524 -4.436 1.00 73.42 H new ATOM 0 HE3 LYS A 55 0.520 18.284 -4.058 1.00 73.42 H new ATOM 0 HZ1 LYS A 55 -1.237 17.422 -5.465 1.00 55.43 H new ATOM 0 HZ2 LYS A 55 -1.274 16.649 -3.954 1.00 55.43 H new ATOM 0 HZ3 LYS A 55 -2.416 17.850 -4.321 1.00 55.43 H new ATOM 780 N TYR A 56 1.312 18.044 0.234 1.00 11.44 N ATOM 781 CA TYR A 56 1.524 16.602 0.184 1.00 53.52 C ATOM 782 C TYR A 56 1.481 15.996 1.583 1.00 43.42 C ATOM 783 O TYR A 56 1.430 14.776 1.743 1.00 65.43 O ATOM 784 CB TYR A 56 2.864 16.286 -0.481 1.00 70.44 C ATOM 785 CG TYR A 56 4.025 16.247 0.485 1.00 12.53 C ATOM 786 CD1 TYR A 56 4.244 17.286 1.382 1.00 41.11 C ATOM 787 CD2 TYR A 56 4.905 15.171 0.501 1.00 3.24 C ATOM 788 CE1 TYR A 56 5.305 17.255 2.266 1.00 30.51 C ATOM 789 CE2 TYR A 56 5.967 15.131 1.384 1.00 13.24 C ATOM 790 CZ TYR A 56 6.163 16.174 2.264 1.00 42.43 C ATOM 791 OH TYR A 56 7.221 16.140 3.143 1.00 12.44 O ATOM 0 H TYR A 56 2.134 18.600 -0.001 1.00 11.44 H new ATOM 0 HA TYR A 56 0.720 16.162 -0.407 1.00 53.52 H new ATOM 0 HB2 TYR A 56 2.791 15.323 -0.987 1.00 70.44 H new ATOM 0 HB3 TYR A 56 3.065 17.034 -1.247 1.00 70.44 H new ATOM 0 HD1 TYR A 56 3.573 18.132 1.388 1.00 41.11 H new ATOM 0 HD2 TYR A 56 4.756 14.353 -0.188 1.00 3.24 H new ATOM 0 HE1 TYR A 56 5.462 18.072 2.955 1.00 30.51 H new ATOM 0 HE2 TYR A 56 6.640 14.287 1.385 1.00 13.24 H new ATOM 0 HH TYR A 56 7.727 15.311 3.014 1.00 12.44 H new ATOM 801 N ARG A 57 1.505 16.858 2.595 1.00 23.21 N ATOM 802 CA ARG A 57 1.471 16.408 3.982 1.00 52.34 C ATOM 803 C ARG A 57 0.038 16.135 4.430 1.00 71.54 C ATOM 804 O ARG A 57 -0.207 15.802 5.589 1.00 54.02 O ATOM 805 CB ARG A 57 2.111 17.455 4.895 1.00 45.20 C ATOM 806 CG ARG A 57 1.243 18.683 5.117 1.00 4.14 C ATOM 807 CD ARG A 57 2.080 19.896 5.491 1.00 42.23 C ATOM 808 NE ARG A 57 1.361 21.148 5.265 1.00 31.31 N ATOM 809 CZ ARG A 57 0.401 21.598 6.066 1.00 11.20 C ATOM 810 NH1 ARG A 57 0.048 20.903 7.138 1.00 53.42 N ATOM 811 NH2 ARG A 57 -0.207 22.745 5.794 1.00 73.40 N ATOM 0 H ARG A 57 1.548 17.871 2.481 1.00 23.21 H new ATOM 0 HA ARG A 57 2.038 15.480 4.051 1.00 52.34 H new ATOM 0 HB2 ARG A 57 2.332 16.997 5.859 1.00 45.20 H new ATOM 0 HB3 ARG A 57 3.063 17.766 4.465 1.00 45.20 H new ATOM 0 HG2 ARG A 57 0.675 18.897 4.212 1.00 4.14 H new ATOM 0 HG3 ARG A 57 0.520 18.481 5.907 1.00 4.14 H new ATOM 0 HD2 ARG A 57 2.369 19.828 6.540 1.00 42.23 H new ATOM 0 HD3 ARG A 57 3.000 19.896 4.907 1.00 42.23 H new ATOM 0 HE ARG A 57 1.609 21.707 4.448 1.00 31.31 H new ATOM 0 HH11 ARG A 57 0.514 20.021 7.350 1.00 53.42 H new ATOM 0 HH12 ARG A 57 -0.689 21.251 7.751 1.00 53.42 H new ATOM 0 HH21 ARG A 57 0.062 23.282 4.970 1.00 73.40 H new ATOM 0 HH22 ARG A 57 -0.944 23.090 6.409 1.00 73.40 H new ATOM 825 N SER A 58 -0.905 16.280 3.503 1.00 40.21 N ATOM 826 CA SER A 58 -2.313 16.054 3.803 1.00 34.23 C ATOM 827 C SER A 58 -3.040 15.477 2.592 1.00 32.31 C ATOM 828 O SER A 58 -2.890 15.966 1.473 1.00 42.11 O ATOM 829 CB SER A 58 -2.980 17.361 4.238 1.00 22.33 C ATOM 830 OG SER A 58 -3.594 18.010 3.137 1.00 52.43 O ATOM 0 H SER A 58 -0.718 16.553 2.538 1.00 40.21 H new ATOM 0 HA SER A 58 -2.375 15.334 4.619 1.00 34.23 H new ATOM 0 HB2 SER A 58 -3.726 17.155 5.005 1.00 22.33 H new ATOM 0 HB3 SER A 58 -2.237 18.021 4.685 1.00 22.33 H new ATOM 0 HG SER A 58 -4.015 18.842 3.440 1.00 52.43 H new ATOM 836 N ILE A 59 -3.828 14.432 2.826 1.00 61.01 N ATOM 837 CA ILE A 59 -4.580 13.788 1.757 1.00 73.20 C ATOM 838 C ILE A 59 -6.073 13.762 2.072 1.00 43.44 C ATOM 839 O ILE A 59 -6.508 13.093 3.008 1.00 11.22 O ATOM 840 CB ILE A 59 -4.093 12.347 1.514 1.00 11.22 C ATOM 841 CG1 ILE A 59 -3.852 11.637 2.848 1.00 75.22 C ATOM 842 CG2 ILE A 59 -2.826 12.350 0.674 1.00 12.33 C ATOM 843 CD1 ILE A 59 -3.488 10.177 2.699 1.00 25.41 C ATOM 0 H ILE A 59 -3.962 14.014 3.747 1.00 61.01 H new ATOM 0 HA ILE A 59 -4.412 14.377 0.855 1.00 73.20 H new ATOM 0 HB ILE A 59 -4.865 11.805 0.968 1.00 11.22 H new ATOM 0 HG12 ILE A 59 -3.053 12.149 3.384 1.00 75.22 H new ATOM 0 HG13 ILE A 59 -4.750 11.718 3.461 1.00 75.22 H new ATOM 0 HG21 ILE A 59 -2.495 11.324 0.511 1.00 12.33 H new ATOM 0 HG22 ILE A 59 -3.028 12.823 -0.287 1.00 12.33 H new ATOM 0 HG23 ILE A 59 -2.046 12.905 1.195 1.00 12.33 H new ATOM 0 HD11 ILE A 59 -3.332 9.739 3.685 1.00 25.41 H new ATOM 0 HD12 ILE A 59 -4.296 9.650 2.192 1.00 25.41 H new ATOM 0 HD13 ILE A 59 -2.573 10.088 2.113 1.00 25.41 H new ATOM 855 N ARG A 60 -6.851 14.496 1.282 1.00 21.20 N ATOM 856 CA ARG A 60 -8.293 14.557 1.474 1.00 15.12 C ATOM 857 C ARG A 60 -8.978 13.343 0.853 1.00 44.12 C ATOM 858 O ARG A 60 -8.598 12.891 -0.228 1.00 21.23 O ATOM 859 CB ARG A 60 -8.857 15.842 0.865 1.00 62.24 C ATOM 860 CG ARG A 60 -8.755 15.892 -0.651 1.00 11.35 C ATOM 861 CD ARG A 60 -8.040 17.150 -1.119 1.00 61.40 C ATOM 862 NE ARG A 60 -8.612 18.356 -0.528 1.00 51.54 N ATOM 863 CZ ARG A 60 -9.769 18.884 -0.911 1.00 13.45 C ATOM 864 NH1 ARG A 60 -10.474 18.314 -1.878 1.00 32.00 N ATOM 865 NH2 ARG A 60 -10.223 19.985 -0.325 1.00 35.41 N ATOM 0 H ARG A 60 -6.505 15.056 0.503 1.00 21.20 H new ATOM 0 HA ARG A 60 -8.491 14.554 2.546 1.00 15.12 H new ATOM 0 HB2 ARG A 60 -9.903 15.943 1.154 1.00 62.24 H new ATOM 0 HB3 ARG A 60 -8.327 16.697 1.285 1.00 62.24 H new ATOM 0 HG2 ARG A 60 -8.220 15.013 -1.010 1.00 11.35 H new ATOM 0 HG3 ARG A 60 -9.754 15.857 -1.086 1.00 11.35 H new ATOM 0 HD2 ARG A 60 -6.984 17.085 -0.859 1.00 61.40 H new ATOM 0 HD3 ARG A 60 -8.097 17.217 -2.205 1.00 61.40 H new ATOM 0 HE ARG A 60 -8.095 18.818 0.220 1.00 51.54 H new ATOM 0 HH11 ARG A 60 -10.128 17.468 -2.330 1.00 32.00 H new ATOM 0 HH12 ARG A 60 -11.362 18.722 -2.170 1.00 32.00 H new ATOM 0 HH21 ARG A 60 -9.683 20.426 0.420 1.00 35.41 H new ATOM 0 HH22 ARG A 60 -11.112 20.390 -0.619 1.00 35.41 H new ATOM 879 N ILE A 61 -9.987 12.821 1.543 1.00 43.04 N ATOM 880 CA ILE A 61 -10.723 11.660 1.058 1.00 60.02 C ATOM 881 C ILE A 61 -12.094 12.062 0.525 1.00 5.14 C ATOM 882 O ILE A 61 -13.006 12.363 1.294 1.00 31.01 O ATOM 883 CB ILE A 61 -10.903 10.605 2.165 1.00 72.33 C ATOM 884 CG1 ILE A 61 -9.569 10.332 2.863 1.00 42.15 C ATOM 885 CG2 ILE A 61 -11.477 9.321 1.584 1.00 2.03 C ATOM 886 CD1 ILE A 61 -9.684 9.386 4.038 1.00 43.34 C ATOM 0 H ILE A 61 -10.313 13.184 2.439 1.00 43.04 H new ATOM 0 HA ILE A 61 -10.134 11.228 0.249 1.00 60.02 H new ATOM 0 HB ILE A 61 -11.604 10.992 2.904 1.00 72.33 H new ATOM 0 HG12 ILE A 61 -8.868 9.916 2.139 1.00 42.15 H new ATOM 0 HG13 ILE A 61 -9.148 11.277 3.207 1.00 42.15 H new ATOM 0 HG21 ILE A 61 -11.599 8.585 2.378 1.00 2.03 H new ATOM 0 HG22 ILE A 61 -12.446 9.528 1.130 1.00 2.03 H new ATOM 0 HG23 ILE A 61 -10.798 8.929 0.827 1.00 2.03 H new ATOM 0 HD11 ILE A 61 -8.700 9.239 4.484 1.00 43.34 H new ATOM 0 HD12 ILE A 61 -10.360 9.809 4.781 1.00 43.34 H new ATOM 0 HD13 ILE A 61 -10.075 8.428 3.697 1.00 43.34 H new ATOM 898 N GLY A 62 -12.232 12.064 -0.797 1.00 41.35 N ATOM 899 CA GLY A 62 -13.495 12.429 -1.411 1.00 33.11 C ATOM 900 C GLY A 62 -14.260 11.226 -1.924 1.00 24.24 C ATOM 901 O GLY A 62 -14.810 11.253 -3.024 1.00 11.32 O ATOM 0 H GLY A 62 -11.491 11.819 -1.454 1.00 41.35 H new ATOM 0 HA2 GLY A 62 -14.108 12.962 -0.684 1.00 33.11 H new ATOM 0 HA3 GLY A 62 -13.309 13.116 -2.236 1.00 33.11 H new ATOM 905 N ASN A 63 -14.294 10.163 -1.125 1.00 12.42 N ATOM 906 CA ASN A 63 -14.995 8.943 -1.505 1.00 24.22 C ATOM 907 C ASN A 63 -15.477 8.185 -0.271 1.00 73.25 C ATOM 908 O ASN A 63 -14.674 7.708 0.531 1.00 33.30 O ATOM 909 CB ASN A 63 -14.082 8.046 -2.343 1.00 31.32 C ATOM 910 CG ASN A 63 -13.405 8.803 -3.469 1.00 24.31 C ATOM 911 OD1 ASN A 63 -12.247 9.203 -3.354 1.00 2.15 O ATOM 912 ND2 ASN A 63 -14.125 9.001 -4.566 1.00 21.41 N ATOM 0 H ASN A 63 -13.844 10.123 -0.211 1.00 12.42 H new ATOM 0 HA ASN A 63 -15.864 9.223 -2.100 1.00 24.22 H new ATOM 0 HB2 ASN A 63 -13.323 7.602 -1.699 1.00 31.32 H new ATOM 0 HB3 ASN A 63 -14.666 7.226 -2.760 1.00 31.32 H new ATOM 0 HD21 ASN A 63 -13.721 9.502 -5.357 1.00 21.41 H new ATOM 0 HD22 ASN A 63 -15.082 8.652 -4.618 1.00 21.41 H new ATOM 919 N THR A 64 -16.795 8.080 -0.125 1.00 5.24 N ATOM 920 CA THR A 64 -17.385 7.382 1.010 1.00 23.03 C ATOM 921 C THR A 64 -16.977 5.912 1.024 1.00 75.04 C ATOM 922 O THR A 64 -17.098 5.235 2.043 1.00 33.20 O ATOM 923 CB THR A 64 -18.922 7.477 0.991 1.00 3.44 C ATOM 924 OG1 THR A 64 -19.339 8.498 0.078 1.00 2.44 O ATOM 925 CG2 THR A 64 -19.462 7.779 2.380 1.00 35.03 C ATOM 0 H THR A 64 -17.474 8.470 -0.779 1.00 5.24 H new ATOM 0 HA THR A 64 -17.010 7.869 1.910 1.00 23.03 H new ATOM 0 HB THR A 64 -19.320 6.516 0.665 1.00 3.44 H new ATOM 0 HG1 THR A 64 -20.318 8.551 0.071 1.00 2.44 H new ATOM 0 HG21 THR A 64 -20.550 7.842 2.342 1.00 35.03 H new ATOM 0 HG22 THR A 64 -19.168 6.984 3.065 1.00 35.03 H new ATOM 0 HG23 THR A 64 -19.056 8.728 2.730 1.00 35.03 H new ATOM 933 N ALA A 65 -16.494 5.426 -0.115 1.00 41.43 N ATOM 934 CA ALA A 65 -16.067 4.037 -0.232 1.00 42.41 C ATOM 935 C ALA A 65 -14.964 3.717 0.771 1.00 20.25 C ATOM 936 O ALA A 65 -14.869 2.593 1.266 1.00 63.04 O ATOM 937 CB ALA A 65 -15.594 3.750 -1.649 1.00 25.24 C ATOM 0 H ALA A 65 -16.389 5.973 -0.969 1.00 41.43 H new ATOM 0 HA ALA A 65 -16.922 3.398 -0.009 1.00 42.41 H new ATOM 0 HB1 ALA A 65 -15.278 2.710 -1.723 1.00 25.24 H new ATOM 0 HB2 ALA A 65 -16.410 3.932 -2.349 1.00 25.24 H new ATOM 0 HB3 ALA A 65 -14.755 4.402 -1.892 1.00 25.24 H new ATOM 943 N PHE A 66 -14.130 4.708 1.066 1.00 52.23 N ATOM 944 CA PHE A 66 -13.033 4.531 2.010 1.00 65.14 C ATOM 945 C PHE A 66 -13.559 4.174 3.395 1.00 14.45 C ATOM 946 O PHE A 66 -13.060 3.253 4.042 1.00 50.23 O ATOM 947 CB PHE A 66 -12.186 5.804 2.085 1.00 13.35 C ATOM 948 CG PHE A 66 -11.224 5.815 3.240 1.00 43.14 C ATOM 949 CD1 PHE A 66 -11.632 6.240 4.494 1.00 64.34 C ATOM 950 CD2 PHE A 66 -9.912 5.402 3.070 1.00 31.30 C ATOM 951 CE1 PHE A 66 -10.749 6.253 5.556 1.00 33.23 C ATOM 952 CE2 PHE A 66 -9.025 5.413 4.129 1.00 63.33 C ATOM 953 CZ PHE A 66 -9.445 5.837 5.374 1.00 23.50 C ATOM 0 H PHE A 66 -14.193 5.643 0.664 1.00 52.23 H new ATOM 0 HA PHE A 66 -12.411 3.709 1.655 1.00 65.14 H new ATOM 0 HB2 PHE A 66 -11.627 5.915 1.156 1.00 13.35 H new ATOM 0 HB3 PHE A 66 -12.847 6.667 2.164 1.00 13.35 H new ATOM 0 HD1 PHE A 66 -12.651 6.565 4.643 1.00 64.34 H new ATOM 0 HD2 PHE A 66 -9.579 5.068 2.098 1.00 31.30 H new ATOM 0 HE1 PHE A 66 -11.078 6.588 6.528 1.00 33.23 H new ATOM 0 HE2 PHE A 66 -8.005 5.090 3.983 1.00 63.33 H new ATOM 0 HZ PHE A 66 -8.755 5.843 6.204 1.00 23.50 H new ATOM 963 N SER A 67 -14.572 4.908 3.845 1.00 53.41 N ATOM 964 CA SER A 67 -15.164 4.671 5.157 1.00 71.13 C ATOM 965 C SER A 67 -15.982 3.384 5.159 1.00 72.11 C ATOM 966 O SER A 67 -16.235 2.797 6.212 1.00 22.30 O ATOM 967 CB SER A 67 -16.048 5.852 5.560 1.00 71.05 C ATOM 968 OG SER A 67 -17.421 5.546 5.380 1.00 1.41 O ATOM 0 H SER A 67 -15.000 5.671 3.321 1.00 53.41 H new ATOM 0 HA SER A 67 -14.356 4.567 5.881 1.00 71.13 H new ATOM 0 HB2 SER A 67 -15.863 6.109 6.603 1.00 71.05 H new ATOM 0 HB3 SER A 67 -15.786 6.726 4.964 1.00 71.05 H new ATOM 0 HG SER A 67 -17.965 6.316 5.646 1.00 1.41 H new ATOM 974 N THR A 68 -16.394 2.951 3.972 1.00 62.31 N ATOM 975 CA THR A 68 -17.185 1.734 3.835 1.00 12.32 C ATOM 976 C THR A 68 -16.291 0.503 3.757 1.00 72.11 C ATOM 977 O THR A 68 -16.670 -0.582 4.199 1.00 34.22 O ATOM 978 CB THR A 68 -18.082 1.784 2.584 1.00 21.22 C ATOM 979 OG1 THR A 68 -17.279 1.697 1.402 1.00 12.41 O ATOM 980 CG2 THR A 68 -18.899 3.067 2.555 1.00 34.51 C ATOM 0 H THR A 68 -16.193 3.425 3.091 1.00 62.31 H new ATOM 0 HA THR A 68 -17.815 1.666 4.722 1.00 12.32 H new ATOM 0 HB THR A 68 -18.767 0.937 2.621 1.00 21.22 H new ATOM 0 HG1 THR A 68 -16.364 1.981 1.607 1.00 12.41 H new ATOM 0 HG21 THR A 68 -19.525 3.080 1.663 1.00 34.51 H new ATOM 0 HG22 THR A 68 -19.531 3.116 3.442 1.00 34.51 H new ATOM 0 HG23 THR A 68 -18.228 3.926 2.540 1.00 34.51 H new ATOM 988 N ARG A 69 -15.101 0.676 3.192 1.00 40.41 N ATOM 989 CA ARG A 69 -14.152 -0.421 3.055 1.00 11.04 C ATOM 990 C ARG A 69 -12.725 0.104 2.927 1.00 51.44 C ATOM 991 O ARG A 69 -12.204 0.255 1.821 1.00 65.24 O ATOM 992 CB ARG A 69 -14.502 -1.278 1.835 1.00 73.03 C ATOM 993 CG ARG A 69 -14.194 -2.755 2.020 1.00 54.15 C ATOM 994 CD ARG A 69 -12.791 -2.968 2.562 1.00 44.10 C ATOM 995 NE ARG A 69 -12.765 -2.992 4.022 1.00 14.24 N ATOM 996 CZ ARG A 69 -13.076 -4.063 4.746 1.00 42.52 C ATOM 997 NH1 ARG A 69 -13.433 -5.190 4.147 1.00 65.42 N ATOM 998 NH2 ARG A 69 -13.028 -4.006 6.071 1.00 21.21 N ATOM 0 H ARG A 69 -14.771 1.567 2.821 1.00 40.41 H new ATOM 0 HA ARG A 69 -14.215 -1.035 3.953 1.00 11.04 H new ATOM 0 HB2 ARG A 69 -15.563 -1.162 1.612 1.00 73.03 H new ATOM 0 HB3 ARG A 69 -13.952 -0.906 0.970 1.00 73.03 H new ATOM 0 HG2 ARG A 69 -14.920 -3.196 2.703 1.00 54.15 H new ATOM 0 HG3 ARG A 69 -14.299 -3.272 1.066 1.00 54.15 H new ATOM 0 HD2 ARG A 69 -12.393 -3.907 2.177 1.00 44.10 H new ATOM 0 HD3 ARG A 69 -12.139 -2.173 2.201 1.00 44.10 H new ATOM 0 HE ARG A 69 -12.493 -2.140 4.513 1.00 14.24 H new ATOM 0 HH11 ARG A 69 -13.470 -5.237 3.129 1.00 65.42 H new ATOM 0 HH12 ARG A 69 -13.671 -6.010 4.704 1.00 65.42 H new ATOM 0 HH21 ARG A 69 -12.752 -3.140 6.535 1.00 21.21 H new ATOM 0 HH22 ARG A 69 -13.267 -4.828 6.626 1.00 21.21 H new ATOM 1012 N LEU A 70 -12.098 0.384 4.065 1.00 73.24 N ATOM 1013 CA LEU A 70 -10.733 0.895 4.081 1.00 10.21 C ATOM 1014 C LEU A 70 -10.303 1.257 5.498 1.00 33.44 C ATOM 1015 O LEU A 70 -9.129 1.138 5.853 1.00 72.44 O ATOM 1016 CB LEU A 70 -10.615 2.120 3.172 1.00 54.30 C ATOM 1017 CG LEU A 70 -9.511 2.066 2.114 1.00 72.25 C ATOM 1018 CD1 LEU A 70 -9.962 2.761 0.838 1.00 51.44 C ATOM 1019 CD2 LEU A 70 -8.233 2.699 2.644 1.00 11.23 C ATOM 0 H LEU A 70 -12.514 0.265 4.989 1.00 73.24 H new ATOM 0 HA LEU A 70 -10.074 0.110 3.711 1.00 10.21 H new ATOM 0 HB2 LEU A 70 -11.569 2.265 2.666 1.00 54.30 H new ATOM 0 HB3 LEU A 70 -10.449 2.997 3.797 1.00 54.30 H new ATOM 0 HG LEU A 70 -9.306 1.021 1.883 1.00 72.25 H new ATOM 0 HD11 LEU A 70 -9.165 2.713 0.096 1.00 51.44 H new ATOM 0 HD12 LEU A 70 -10.851 2.265 0.448 1.00 51.44 H new ATOM 0 HD13 LEU A 70 -10.194 3.804 1.054 1.00 51.44 H new ATOM 0 HD21 LEU A 70 -7.459 2.652 1.878 1.00 11.23 H new ATOM 0 HD22 LEU A 70 -8.423 3.740 2.904 1.00 11.23 H new ATOM 0 HD23 LEU A 70 -7.900 2.159 3.530 1.00 11.23 H new ATOM 1031 N LEU A 71 -11.261 1.697 6.306 1.00 15.13 N ATOM 1032 CA LEU A 71 -10.983 2.074 7.689 1.00 41.43 C ATOM 1033 C LEU A 71 -10.996 0.852 8.601 1.00 21.23 C ATOM 1034 O LEU A 71 -9.996 0.502 9.228 1.00 72.14 O ATOM 1035 CB LEU A 71 -12.008 3.099 8.175 1.00 14.13 C ATOM 1036 CG LEU A 71 -11.460 4.481 8.532 1.00 63.44 C ATOM 1037 CD1 LEU A 71 -12.585 5.503 8.587 1.00 3.01 C ATOM 1038 CD2 LEU A 71 -10.715 4.434 9.858 1.00 70.53 C ATOM 0 H LEU A 71 -12.237 1.802 6.028 1.00 15.13 H new ATOM 0 HA LEU A 71 -9.989 2.519 7.725 1.00 41.43 H new ATOM 0 HB2 LEU A 71 -12.766 3.220 7.401 1.00 14.13 H new ATOM 0 HB3 LEU A 71 -12.511 2.692 9.052 1.00 14.13 H new ATOM 0 HG LEU A 71 -10.758 4.784 7.755 1.00 63.44 H new ATOM 0 HD11 LEU A 71 -12.176 6.481 8.842 1.00 3.01 H new ATOM 0 HD12 LEU A 71 -13.075 5.557 7.615 1.00 3.01 H new ATOM 0 HD13 LEU A 71 -13.311 5.204 9.343 1.00 3.01 H new ATOM 0 HD21 LEU A 71 -10.332 5.426 10.096 1.00 70.53 H new ATOM 0 HD22 LEU A 71 -11.395 4.109 10.646 1.00 70.53 H new ATOM 0 HD23 LEU A 71 -9.884 3.733 9.784 1.00 70.53 H new ATOM 1050 N PRO A 72 -12.157 0.181 8.674 1.00 51.35 N ATOM 1051 CA PRO A 72 -12.328 -1.015 9.504 1.00 42.22 C ATOM 1052 C PRO A 72 -11.558 -2.213 8.960 1.00 13.24 C ATOM 1053 O PRO A 72 -11.512 -3.272 9.587 1.00 53.05 O ATOM 1054 CB PRO A 72 -13.835 -1.275 9.444 1.00 34.12 C ATOM 1055 CG PRO A 72 -14.276 -0.656 8.161 1.00 14.43 C ATOM 1056 CD PRO A 72 -13.390 0.540 7.953 1.00 11.14 C ATOM 0 HA PRO A 72 -11.947 -0.868 10.515 1.00 42.22 H new ATOM 0 HB2 PRO A 72 -14.054 -2.343 9.464 1.00 34.12 H new ATOM 0 HB3 PRO A 72 -14.348 -0.829 10.296 1.00 34.12 H new ATOM 0 HG2 PRO A 72 -14.181 -1.361 7.335 1.00 14.43 H new ATOM 0 HG3 PRO A 72 -15.324 -0.361 8.210 1.00 14.43 H new ATOM 0 HD2 PRO A 72 -13.199 0.719 6.895 1.00 11.14 H new ATOM 0 HD3 PRO A 72 -13.840 1.448 8.354 1.00 11.14 H new ATOM 1064 N VAL A 73 -10.954 -2.040 7.789 1.00 4.21 N ATOM 1065 CA VAL A 73 -10.185 -3.107 7.161 1.00 43.11 C ATOM 1066 C VAL A 73 -8.897 -3.382 7.928 1.00 34.54 C ATOM 1067 O VAL A 73 -8.178 -2.457 8.306 1.00 52.51 O ATOM 1068 CB VAL A 73 -9.835 -2.763 5.700 1.00 53.51 C ATOM 1069 CG1 VAL A 73 -8.770 -1.677 5.649 1.00 70.14 C ATOM 1070 CG2 VAL A 73 -9.375 -4.007 4.955 1.00 72.23 C ATOM 0 H VAL A 73 -10.982 -1.171 7.256 1.00 4.21 H new ATOM 0 HA VAL A 73 -10.812 -3.999 7.177 1.00 43.11 H new ATOM 0 HB VAL A 73 -10.731 -2.384 5.209 1.00 53.51 H new ATOM 0 HG11 VAL A 73 -8.535 -1.446 4.610 1.00 70.14 H new ATOM 0 HG12 VAL A 73 -9.141 -0.780 6.145 1.00 70.14 H new ATOM 0 HG13 VAL A 73 -7.870 -2.026 6.156 1.00 70.14 H new ATOM 0 HG21 VAL A 73 -9.132 -3.745 3.925 1.00 72.23 H new ATOM 0 HG22 VAL A 73 -8.491 -4.417 5.443 1.00 72.23 H new ATOM 0 HG23 VAL A 73 -10.172 -4.751 4.962 1.00 72.23 H new ATOM 1080 N ARG A 74 -8.611 -4.660 8.157 1.00 54.23 N ATOM 1081 CA ARG A 74 -7.410 -5.057 8.881 1.00 43.21 C ATOM 1082 C ARG A 74 -6.225 -5.202 7.930 1.00 74.40 C ATOM 1083 O ARG A 74 -6.168 -6.137 7.131 1.00 40.41 O ATOM 1084 CB ARG A 74 -7.648 -6.374 9.622 1.00 50.51 C ATOM 1085 CG ARG A 74 -6.908 -6.469 10.947 1.00 63.44 C ATOM 1086 CD ARG A 74 -5.581 -7.196 10.793 1.00 40.41 C ATOM 1087 NE ARG A 74 -5.594 -8.503 11.443 1.00 41.00 N ATOM 1088 CZ ARG A 74 -4.564 -9.342 11.429 1.00 41.40 C ATOM 1089 NH1 ARG A 74 -3.444 -9.010 10.804 1.00 44.55 N ATOM 1090 NH2 ARG A 74 -4.653 -10.514 12.045 1.00 42.32 N ATOM 0 H ARG A 74 -9.195 -5.438 7.851 1.00 54.23 H new ATOM 0 HA ARG A 74 -7.178 -4.277 9.606 1.00 43.21 H new ATOM 0 HB2 ARG A 74 -8.716 -6.492 9.803 1.00 50.51 H new ATOM 0 HB3 ARG A 74 -7.340 -7.202 8.983 1.00 50.51 H new ATOM 0 HG2 ARG A 74 -6.732 -5.467 11.339 1.00 63.44 H new ATOM 0 HG3 ARG A 74 -7.528 -6.992 11.675 1.00 63.44 H new ATOM 0 HD2 ARG A 74 -5.357 -7.320 9.734 1.00 40.41 H new ATOM 0 HD3 ARG A 74 -4.783 -6.588 11.218 1.00 40.41 H new ATOM 0 HE ARG A 74 -6.441 -8.788 11.935 1.00 41.00 H new ATOM 0 HH11 ARG A 74 -3.371 -8.109 10.332 1.00 44.55 H new ATOM 0 HH12 ARG A 74 -2.655 -9.656 10.795 1.00 44.55 H new ATOM 0 HH21 ARG A 74 -5.513 -10.771 12.530 1.00 42.32 H new ATOM 0 HH22 ARG A 74 -3.862 -11.157 12.034 1.00 42.32 H new ATOM 1104 N GLY A 75 -5.281 -4.271 8.022 1.00 34.12 N ATOM 1105 CA GLY A 75 -4.111 -4.313 7.165 1.00 25.22 C ATOM 1106 C GLY A 75 -3.800 -2.968 6.540 1.00 12.20 C ATOM 1107 O GLY A 75 -2.641 -2.561 6.473 1.00 22.14 O ATOM 0 H GLY A 75 -5.306 -3.488 8.675 1.00 34.12 H new ATOM 0 HA2 GLY A 75 -3.251 -4.648 7.746 1.00 25.22 H new ATOM 0 HA3 GLY A 75 -4.269 -5.049 6.376 1.00 25.22 H new ATOM 1111 N ALA A 76 -4.837 -2.275 6.083 1.00 33.32 N ATOM 1112 CA ALA A 76 -4.670 -0.967 5.463 1.00 65.25 C ATOM 1113 C ALA A 76 -4.250 0.078 6.490 1.00 74.40 C ATOM 1114 O ALA A 76 -3.275 0.802 6.293 1.00 73.52 O ATOM 1115 CB ALA A 76 -5.956 -0.544 4.767 1.00 14.53 C ATOM 0 H ALA A 76 -5.803 -2.598 6.131 1.00 33.32 H new ATOM 0 HA ALA A 76 -3.877 -1.043 4.719 1.00 65.25 H new ATOM 0 HB1 ALA A 76 -5.816 0.435 4.308 1.00 14.53 H new ATOM 0 HB2 ALA A 76 -6.210 -1.273 3.997 1.00 14.53 H new ATOM 0 HB3 ALA A 76 -6.764 -0.491 5.497 1.00 14.53 H new ATOM 1121 N VAL A 77 -4.997 0.154 7.588 1.00 5.35 N ATOM 1122 CA VAL A 77 -4.702 1.111 8.647 1.00 0.45 C ATOM 1123 C VAL A 77 -3.303 0.893 9.214 1.00 52.04 C ATOM 1124 O VAL A 77 -2.547 1.843 9.409 1.00 52.23 O ATOM 1125 CB VAL A 77 -5.728 1.015 9.792 1.00 33.13 C ATOM 1126 CG1 VAL A 77 -5.542 2.161 10.775 1.00 13.13 C ATOM 1127 CG2 VAL A 77 -7.145 1.002 9.238 1.00 4.25 C ATOM 0 H VAL A 77 -5.810 -0.436 7.766 1.00 5.35 H new ATOM 0 HA VAL A 77 -4.758 2.103 8.200 1.00 0.45 H new ATOM 0 HB VAL A 77 -5.562 0.080 10.327 1.00 33.13 H new ATOM 0 HG11 VAL A 77 -6.276 2.076 11.576 1.00 13.13 H new ATOM 0 HG12 VAL A 77 -4.538 2.119 11.197 1.00 13.13 H new ATOM 0 HG13 VAL A 77 -5.679 3.110 10.257 1.00 13.13 H new ATOM 0 HG21 VAL A 77 -7.857 0.934 10.061 1.00 4.25 H new ATOM 0 HG22 VAL A 77 -7.325 1.919 8.678 1.00 4.25 H new ATOM 0 HG23 VAL A 77 -7.270 0.143 8.578 1.00 4.25 H new ATOM 1137 N GLU A 78 -2.966 -0.366 9.474 1.00 72.52 N ATOM 1138 CA GLU A 78 -1.657 -0.710 10.018 1.00 73.22 C ATOM 1139 C GLU A 78 -0.555 -0.430 8.999 1.00 13.15 C ATOM 1140 O GLU A 78 0.576 -0.108 9.368 1.00 24.33 O ATOM 1141 CB GLU A 78 -1.622 -2.182 10.431 1.00 72.41 C ATOM 1142 CG GLU A 78 -2.402 -2.477 11.702 1.00 55.23 C ATOM 1143 CD GLU A 78 -1.878 -1.708 12.900 1.00 22.41 C ATOM 1144 OE1 GLU A 78 -0.641 -1.622 13.051 1.00 14.55 O ATOM 1145 OE2 GLU A 78 -2.703 -1.193 13.683 1.00 44.42 O ATOM 0 H GLU A 78 -3.581 -1.165 9.317 1.00 72.52 H new ATOM 0 HA GLU A 78 -1.483 -0.090 10.897 1.00 73.22 H new ATOM 0 HB2 GLU A 78 -2.024 -2.788 9.619 1.00 72.41 H new ATOM 0 HB3 GLU A 78 -0.585 -2.486 10.572 1.00 72.41 H new ATOM 0 HG2 GLU A 78 -3.452 -2.228 11.546 1.00 55.23 H new ATOM 0 HG3 GLU A 78 -2.356 -3.546 11.912 1.00 55.23 H new ATOM 1152 N CYS A 79 -0.894 -0.553 7.722 1.00 65.33 N ATOM 1153 CA CYS A 79 0.067 -0.314 6.650 1.00 31.45 C ATOM 1154 C CYS A 79 0.473 1.155 6.601 1.00 51.01 C ATOM 1155 O CYS A 79 1.660 1.481 6.564 1.00 45.24 O ATOM 1156 CB CYS A 79 -0.522 -0.739 5.305 1.00 30.21 C ATOM 1157 SG CYS A 79 0.574 -0.452 3.895 1.00 34.13 S ATOM 0 H CYS A 79 -1.826 -0.817 7.402 1.00 65.33 H new ATOM 0 HA CYS A 79 0.956 -0.911 6.853 1.00 31.45 H new ATOM 0 HB2 CYS A 79 -0.771 -1.799 5.348 1.00 30.21 H new ATOM 0 HB3 CYS A 79 -1.455 -0.199 5.142 1.00 30.21 H new ATOM 0 HG CYS A 79 1.332 0.576 4.137 1.00 34.13 H new ATOM 1163 N LEU A 80 -0.519 2.037 6.600 1.00 12.41 N ATOM 1164 CA LEU A 80 -0.267 3.473 6.553 1.00 42.10 C ATOM 1165 C LEU A 80 0.475 3.936 7.803 1.00 32.11 C ATOM 1166 O LEU A 80 1.479 4.644 7.716 1.00 54.43 O ATOM 1167 CB LEU A 80 -1.584 4.239 6.415 1.00 23.03 C ATOM 1168 CG LEU A 80 -2.530 3.753 5.318 1.00 43.14 C ATOM 1169 CD1 LEU A 80 -3.932 3.556 5.871 1.00 72.52 C ATOM 1170 CD2 LEU A 80 -2.547 4.733 4.154 1.00 12.10 C ATOM 0 H LEU A 80 -1.506 1.783 6.631 1.00 12.41 H new ATOM 0 HA LEU A 80 0.358 3.679 5.684 1.00 42.10 H new ATOM 0 HB2 LEU A 80 -2.110 4.192 7.368 1.00 23.03 H new ATOM 0 HB3 LEU A 80 -1.353 5.288 6.230 1.00 23.03 H new ATOM 0 HG LEU A 80 -2.167 2.792 4.952 1.00 43.14 H new ATOM 0 HD11 LEU A 80 -4.592 3.210 5.075 1.00 72.52 H new ATOM 0 HD12 LEU A 80 -3.907 2.815 6.670 1.00 72.52 H new ATOM 0 HD13 LEU A 80 -4.304 4.502 6.265 1.00 72.52 H new ATOM 0 HD21 LEU A 80 -3.226 4.370 3.383 1.00 12.10 H new ATOM 0 HD22 LEU A 80 -2.884 5.708 4.505 1.00 12.10 H new ATOM 0 HD23 LEU A 80 -1.543 4.823 3.740 1.00 12.10 H new ATOM 1182 N PHE A 81 -0.023 3.529 8.966 1.00 53.44 N ATOM 1183 CA PHE A 81 0.592 3.902 10.234 1.00 75.31 C ATOM 1184 C PHE A 81 2.033 3.404 10.306 1.00 21.43 C ATOM 1185 O PHE A 81 2.923 4.115 10.772 1.00 24.31 O ATOM 1186 CB PHE A 81 -0.215 3.333 11.403 1.00 14.31 C ATOM 1187 CG PHE A 81 -1.210 4.304 11.974 1.00 4.55 C ATOM 1188 CD1 PHE A 81 -2.350 4.643 11.267 1.00 63.33 C ATOM 1189 CD2 PHE A 81 -1.002 4.877 13.219 1.00 23.21 C ATOM 1190 CE1 PHE A 81 -3.266 5.536 11.788 1.00 53.33 C ATOM 1191 CE2 PHE A 81 -1.915 5.770 13.747 1.00 42.41 C ATOM 1192 CZ PHE A 81 -3.050 6.100 13.030 1.00 43.34 C ATOM 0 H PHE A 81 -0.851 2.941 9.056 1.00 53.44 H new ATOM 0 HA PHE A 81 0.598 4.990 10.301 1.00 75.31 H new ATOM 0 HB2 PHE A 81 -0.742 2.439 11.069 1.00 14.31 H new ATOM 0 HB3 PHE A 81 0.471 3.023 12.191 1.00 14.31 H new ATOM 0 HD1 PHE A 81 -2.526 4.204 10.296 1.00 63.33 H new ATOM 0 HD2 PHE A 81 -0.117 4.623 13.783 1.00 23.21 H new ATOM 0 HE1 PHE A 81 -4.151 5.793 11.224 1.00 53.33 H new ATOM 0 HE2 PHE A 81 -1.742 6.209 14.718 1.00 42.41 H new ATOM 0 HZ PHE A 81 -3.766 6.797 13.440 1.00 43.34 H new ATOM 1202 N GLU A 82 2.252 2.178 9.842 1.00 3.25 N ATOM 1203 CA GLU A 82 3.584 1.584 9.855 1.00 54.11 C ATOM 1204 C GLU A 82 4.499 2.280 8.853 1.00 45.41 C ATOM 1205 O GLU A 82 5.690 2.463 9.106 1.00 30.20 O ATOM 1206 CB GLU A 82 3.504 0.090 9.537 1.00 2.42 C ATOM 1207 CG GLU A 82 3.063 -0.761 10.716 1.00 22.04 C ATOM 1208 CD GLU A 82 4.226 -1.202 11.584 1.00 33.33 C ATOM 1209 OE1 GLU A 82 4.802 -0.343 12.284 1.00 3.21 O ATOM 1210 OE2 GLU A 82 4.559 -2.405 11.565 1.00 23.40 O ATOM 0 H GLU A 82 1.525 1.577 9.453 1.00 3.25 H new ATOM 0 HA GLU A 82 4.002 1.713 10.853 1.00 54.11 H new ATOM 0 HB2 GLU A 82 2.809 -0.060 8.711 1.00 2.42 H new ATOM 0 HB3 GLU A 82 4.481 -0.253 9.197 1.00 2.42 H new ATOM 0 HG2 GLU A 82 2.355 -0.196 11.323 1.00 22.04 H new ATOM 0 HG3 GLU A 82 2.535 -1.641 10.347 1.00 22.04 H new ATOM 1217 N MET A 83 3.935 2.667 7.713 1.00 52.51 N ATOM 1218 CA MET A 83 4.701 3.344 6.672 1.00 14.24 C ATOM 1219 C MET A 83 4.932 4.808 7.034 1.00 71.43 C ATOM 1220 O MET A 83 5.870 5.437 6.544 1.00 31.23 O ATOM 1221 CB MET A 83 3.973 3.245 5.330 1.00 53.43 C ATOM 1222 CG MET A 83 4.827 3.663 4.144 1.00 1.43 C ATOM 1223 SD MET A 83 4.507 2.671 2.674 1.00 22.43 S ATOM 1224 CE MET A 83 2.821 3.150 2.303 1.00 3.33 C ATOM 0 H MET A 83 2.951 2.524 7.487 1.00 52.51 H new ATOM 0 HA MET A 83 5.670 2.852 6.588 1.00 14.24 H new ATOM 0 HB2 MET A 83 3.638 2.218 5.182 1.00 53.43 H new ATOM 0 HB3 MET A 83 3.080 3.870 5.363 1.00 53.43 H new ATOM 0 HG2 MET A 83 4.638 4.712 3.917 1.00 1.43 H new ATOM 0 HG3 MET A 83 5.880 3.579 4.412 1.00 1.43 H new ATOM 0 HE1 MET A 83 2.187 2.263 2.281 1.00 3.33 H new ATOM 0 HE2 MET A 83 2.460 3.835 3.070 1.00 3.33 H new ATOM 0 HE3 MET A 83 2.788 3.643 1.331 1.00 3.33 H new ATOM 1234 N GLY A 84 4.070 5.345 7.891 1.00 35.34 N ATOM 1235 CA GLY A 84 4.198 6.731 8.301 1.00 73.53 C ATOM 1236 C GLY A 84 3.032 7.583 7.838 1.00 3.14 C ATOM 1237 O GLY A 84 3.179 8.413 6.942 1.00 62.03 O ATOM 0 H GLY A 84 3.285 4.845 8.309 1.00 35.34 H new ATOM 0 HA2 GLY A 84 4.271 6.780 9.387 1.00 73.53 H new ATOM 0 HA3 GLY A 84 5.125 7.141 7.901 1.00 73.53 H new ATOM 1241 N PHE A 85 1.872 7.377 8.449 1.00 73.10 N ATOM 1242 CA PHE A 85 0.674 8.131 8.093 1.00 34.13 C ATOM 1243 C PHE A 85 -0.208 8.361 9.316 1.00 13.24 C ATOM 1244 O PHE A 85 0.021 7.781 10.377 1.00 64.12 O ATOM 1245 CB PHE A 85 -0.116 7.392 7.011 1.00 50.31 C ATOM 1246 CG PHE A 85 -0.030 8.038 5.659 1.00 41.31 C ATOM 1247 CD1 PHE A 85 -0.576 9.293 5.441 1.00 1.00 C ATOM 1248 CD2 PHE A 85 0.597 7.391 4.606 1.00 20.10 C ATOM 1249 CE1 PHE A 85 -0.497 9.891 4.196 1.00 73.42 C ATOM 1250 CE2 PHE A 85 0.678 7.985 3.360 1.00 3.22 C ATOM 1251 CZ PHE A 85 0.130 9.235 3.155 1.00 50.35 C ATOM 0 H PHE A 85 1.734 6.694 9.194 1.00 73.10 H new ATOM 0 HA PHE A 85 0.987 9.101 7.706 1.00 34.13 H new ATOM 0 HB2 PHE A 85 0.251 6.368 6.940 1.00 50.31 H new ATOM 0 HB3 PHE A 85 -1.162 7.335 7.312 1.00 50.31 H new ATOM 0 HD1 PHE A 85 -1.068 9.810 6.252 1.00 1.00 H new ATOM 0 HD2 PHE A 85 1.027 6.412 4.760 1.00 20.10 H new ATOM 0 HE1 PHE A 85 -0.925 10.870 4.038 1.00 73.42 H new ATOM 0 HE2 PHE A 85 1.170 7.471 2.547 1.00 3.22 H new ATOM 0 HZ PHE A 85 0.191 9.699 2.182 1.00 50.35 H new ATOM 1261 N GLU A 86 -1.218 9.210 9.159 1.00 62.03 N ATOM 1262 CA GLU A 86 -2.135 9.518 10.251 1.00 3.00 C ATOM 1263 C GLU A 86 -3.582 9.499 9.768 1.00 73.23 C ATOM 1264 O GLU A 86 -4.041 10.437 9.116 1.00 44.00 O ATOM 1265 CB GLU A 86 -1.803 10.884 10.854 1.00 55.02 C ATOM 1266 CG GLU A 86 -2.652 11.237 12.064 1.00 1.23 C ATOM 1267 CD GLU A 86 -1.899 12.077 13.079 1.00 32.44 C ATOM 1268 OE1 GLU A 86 -0.713 11.780 13.330 1.00 14.44 O ATOM 1269 OE2 GLU A 86 -2.497 13.030 13.621 1.00 61.31 O ATOM 0 H GLU A 86 -1.423 9.697 8.286 1.00 62.03 H new ATOM 0 HA GLU A 86 -2.017 8.753 11.018 1.00 3.00 H new ATOM 0 HB2 GLU A 86 -0.752 10.899 11.141 1.00 55.02 H new ATOM 0 HB3 GLU A 86 -1.936 11.651 10.091 1.00 55.02 H new ATOM 0 HG2 GLU A 86 -3.539 11.779 11.736 1.00 1.23 H new ATOM 0 HG3 GLU A 86 -2.997 10.320 12.541 1.00 1.23 H new ATOM 1276 N GLU A 87 -4.294 8.425 10.094 1.00 61.34 N ATOM 1277 CA GLU A 87 -5.689 8.284 9.691 1.00 2.11 C ATOM 1278 C GLU A 87 -6.579 9.248 10.470 1.00 74.21 C ATOM 1279 O GLU A 87 -6.687 9.161 11.692 1.00 34.13 O ATOM 1280 CB GLU A 87 -6.162 6.846 9.910 1.00 61.33 C ATOM 1281 CG GLU A 87 -5.482 5.836 8.999 1.00 53.32 C ATOM 1282 CD GLU A 87 -6.387 5.357 7.882 1.00 4.12 C ATOM 1283 OE1 GLU A 87 -7.130 4.377 8.099 1.00 2.11 O ATOM 1284 OE2 GLU A 87 -6.351 5.960 6.789 1.00 0.41 O ATOM 0 H GLU A 87 -3.929 7.641 10.635 1.00 61.34 H new ATOM 0 HA GLU A 87 -5.762 8.525 8.631 1.00 2.11 H new ATOM 0 HB2 GLU A 87 -5.980 6.567 10.948 1.00 61.33 H new ATOM 0 HB3 GLU A 87 -7.239 6.799 9.751 1.00 61.33 H new ATOM 0 HG2 GLU A 87 -4.587 6.285 8.569 1.00 53.32 H new ATOM 0 HG3 GLU A 87 -5.157 4.980 9.590 1.00 53.32 H new ATOM 1291 N GLY A 88 -7.216 10.168 9.751 1.00 3.31 N ATOM 1292 CA GLY A 88 -8.089 11.136 10.391 1.00 31.01 C ATOM 1293 C GLY A 88 -9.553 10.766 10.268 1.00 13.11 C ATOM 1294 O GLY A 88 -9.890 9.599 10.071 1.00 61.23 O ATOM 0 H GLY A 88 -7.143 10.260 8.738 1.00 3.31 H new ATOM 0 HA2 GLY A 88 -7.825 11.217 11.445 1.00 31.01 H new ATOM 0 HA3 GLY A 88 -7.927 12.117 9.945 1.00 31.01 H new ATOM 1298 N GLU A 89 -10.427 11.762 10.386 1.00 2.55 N ATOM 1299 CA GLU A 89 -11.863 11.533 10.290 1.00 44.33 C ATOM 1300 C GLU A 89 -12.336 11.650 8.845 1.00 73.44 C ATOM 1301 O GLU A 89 -13.103 10.817 8.359 1.00 44.20 O ATOM 1302 CB GLU A 89 -12.620 12.530 11.169 1.00 52.23 C ATOM 1303 CG GLU A 89 -13.642 11.880 12.087 1.00 1.04 C ATOM 1304 CD GLU A 89 -13.305 12.060 13.555 1.00 21.35 C ATOM 1305 OE1 GLU A 89 -13.485 13.181 14.072 1.00 73.23 O ATOM 1306 OE2 GLU A 89 -12.861 11.077 14.185 1.00 42.15 O ATOM 0 H GLU A 89 -10.165 12.734 10.548 1.00 2.55 H new ATOM 0 HA GLU A 89 -12.069 10.522 10.641 1.00 44.33 H new ATOM 0 HB2 GLU A 89 -11.903 13.086 11.773 1.00 52.23 H new ATOM 0 HB3 GLU A 89 -13.127 13.253 10.530 1.00 52.23 H new ATOM 0 HG2 GLU A 89 -14.626 12.306 11.889 1.00 1.04 H new ATOM 0 HG3 GLU A 89 -13.704 10.816 11.860 1.00 1.04 H new ATOM 1313 N THR A 90 -11.874 12.692 8.159 1.00 73.54 N ATOM 1314 CA THR A 90 -12.251 12.921 6.770 1.00 11.03 C ATOM 1315 C THR A 90 -11.035 12.861 5.853 1.00 10.25 C ATOM 1316 O THR A 90 -11.161 12.612 4.654 1.00 43.03 O ATOM 1317 CB THR A 90 -12.947 14.285 6.593 1.00 22.45 C ATOM 1318 OG1 THR A 90 -12.518 15.189 7.618 1.00 23.12 O ATOM 1319 CG2 THR A 90 -14.459 14.132 6.644 1.00 23.11 C ATOM 0 H THR A 90 -11.238 13.390 8.544 1.00 73.54 H new ATOM 0 HA THR A 90 -12.948 12.128 6.497 1.00 11.03 H new ATOM 0 HB THR A 90 -12.672 14.685 5.617 1.00 22.45 H new ATOM 0 HG1 THR A 90 -12.963 16.054 7.498 1.00 23.12 H new ATOM 0 HG21 THR A 90 -14.928 15.108 6.517 1.00 23.11 H new ATOM 0 HG22 THR A 90 -14.784 13.466 5.845 1.00 23.11 H new ATOM 0 HG23 THR A 90 -14.750 13.712 7.607 1.00 23.11 H new ATOM 1327 N HIS A 91 -9.858 13.089 6.425 1.00 25.34 N ATOM 1328 CA HIS A 91 -8.616 13.058 5.658 1.00 53.32 C ATOM 1329 C HIS A 91 -7.464 12.538 6.511 1.00 3.25 C ATOM 1330 O HIS A 91 -7.542 12.529 7.740 1.00 43.22 O ATOM 1331 CB HIS A 91 -8.286 14.454 5.128 1.00 31.04 C ATOM 1332 CG HIS A 91 -8.210 15.498 6.199 1.00 3.42 C ATOM 1333 ND1 HIS A 91 -8.254 15.201 7.545 1.00 51.21 N ATOM 1334 CD2 HIS A 91 -8.088 16.843 6.117 1.00 75.13 C ATOM 1335 CE1 HIS A 91 -8.166 16.319 8.243 1.00 3.44 C ATOM 1336 NE2 HIS A 91 -8.065 17.331 7.400 1.00 32.45 N ATOM 0 H HIS A 91 -9.737 13.297 7.416 1.00 25.34 H new ATOM 0 HA HIS A 91 -8.754 12.381 4.815 1.00 53.32 H new ATOM 0 HB2 HIS A 91 -7.333 14.417 4.599 1.00 31.04 H new ATOM 0 HB3 HIS A 91 -9.043 14.746 4.400 1.00 31.04 H new ATOM 0 HD1 HIS A 91 -8.341 14.265 7.940 1.00 51.21 H new ATOM 0 HD2 HIS A 91 -8.021 17.425 5.210 1.00 75.13 H new ATOM 0 HE1 HIS A 91 -8.175 16.393 9.320 1.00 3.44 H new ATOM 1344 N LEU A 92 -6.395 12.106 5.851 1.00 2.53 N ATOM 1345 CA LEU A 92 -5.225 11.583 6.549 1.00 71.41 C ATOM 1346 C LEU A 92 -4.096 12.609 6.562 1.00 11.20 C ATOM 1347 O LEU A 92 -3.919 13.365 5.607 1.00 1.42 O ATOM 1348 CB LEU A 92 -4.746 10.290 5.886 1.00 31.34 C ATOM 1349 CG LEU A 92 -5.811 9.484 5.139 1.00 50.40 C ATOM 1350 CD1 LEU A 92 -5.207 8.219 4.552 1.00 3.01 C ATOM 1351 CD2 LEU A 92 -6.969 9.145 6.066 1.00 62.30 C ATOM 0 H LEU A 92 -6.314 12.107 4.834 1.00 2.53 H new ATOM 0 HA LEU A 92 -5.512 11.371 7.579 1.00 71.41 H new ATOM 0 HB2 LEU A 92 -3.949 10.538 5.185 1.00 31.34 H new ATOM 0 HB3 LEU A 92 -4.308 9.652 6.654 1.00 31.34 H new ATOM 0 HG LEU A 92 -6.194 10.093 4.320 1.00 50.40 H new ATOM 0 HD11 LEU A 92 -5.979 7.658 4.024 1.00 3.01 H new ATOM 0 HD12 LEU A 92 -4.412 8.485 3.856 1.00 3.01 H new ATOM 0 HD13 LEU A 92 -4.797 7.605 5.354 1.00 3.01 H new ATOM 0 HD21 LEU A 92 -7.717 8.572 5.519 1.00 62.30 H new ATOM 0 HD22 LEU A 92 -6.602 8.555 6.906 1.00 62.30 H new ATOM 0 HD23 LEU A 92 -7.418 10.066 6.439 1.00 62.30 H new ATOM 1363 N ILE A 93 -3.334 12.627 7.651 1.00 21.04 N ATOM 1364 CA ILE A 93 -2.219 13.558 7.787 1.00 53.31 C ATOM 1365 C ILE A 93 -0.882 12.836 7.665 1.00 72.41 C ATOM 1366 O ILE A 93 -0.715 11.726 8.172 1.00 21.01 O ATOM 1367 CB ILE A 93 -2.268 14.300 9.135 1.00 73.11 C ATOM 1368 CG1 ILE A 93 -3.209 15.504 9.046 1.00 43.04 C ATOM 1369 CG2 ILE A 93 -0.872 14.742 9.547 1.00 13.12 C ATOM 1370 CD1 ILE A 93 -4.602 15.148 8.575 1.00 52.33 C ATOM 0 H ILE A 93 -3.468 12.009 8.451 1.00 21.04 H new ATOM 0 HA ILE A 93 -2.312 14.283 6.978 1.00 53.31 H new ATOM 0 HB ILE A 93 -2.651 13.618 9.894 1.00 73.11 H new ATOM 0 HG12 ILE A 93 -3.275 15.977 10.026 1.00 43.04 H new ATOM 0 HG13 ILE A 93 -2.781 16.240 8.365 1.00 43.04 H new ATOM 0 HG21 ILE A 93 -0.923 15.265 10.502 1.00 13.12 H new ATOM 0 HG22 ILE A 93 -0.228 13.868 9.646 1.00 13.12 H new ATOM 0 HG23 ILE A 93 -0.463 15.410 8.789 1.00 13.12 H new ATOM 0 HD11 ILE A 93 -5.214 16.049 8.536 1.00 52.33 H new ATOM 0 HD12 ILE A 93 -4.547 14.703 7.582 1.00 52.33 H new ATOM 0 HD13 ILE A 93 -5.049 14.435 9.268 1.00 52.33 H new ATOM 1382 N PHE A 94 0.069 13.472 6.990 1.00 15.21 N ATOM 1383 CA PHE A 94 1.393 12.892 6.803 1.00 13.31 C ATOM 1384 C PHE A 94 2.339 13.321 7.921 1.00 63.21 C ATOM 1385 O PHE A 94 2.581 14.508 8.142 1.00 43.55 O ATOM 1386 CB PHE A 94 1.967 13.307 5.446 1.00 65.11 C ATOM 1387 CG PHE A 94 2.955 12.322 4.888 1.00 44.20 C ATOM 1388 CD1 PHE A 94 4.273 12.324 5.315 1.00 34.31 C ATOM 1389 CD2 PHE A 94 2.565 11.396 3.933 1.00 14.24 C ATOM 1390 CE1 PHE A 94 5.184 11.420 4.803 1.00 34.45 C ATOM 1391 CE2 PHE A 94 3.471 10.488 3.418 1.00 42.13 C ATOM 1392 CZ PHE A 94 4.782 10.501 3.853 1.00 42.52 C ATOM 0 H PHE A 94 -0.053 14.390 6.563 1.00 15.21 H new ATOM 0 HA PHE A 94 1.294 11.807 6.832 1.00 13.31 H new ATOM 0 HB2 PHE A 94 1.149 13.431 4.737 1.00 65.11 H new ATOM 0 HB3 PHE A 94 2.451 14.278 5.547 1.00 65.11 H new ATOM 0 HD1 PHE A 94 4.592 13.041 6.057 1.00 34.31 H new ATOM 0 HD2 PHE A 94 1.542 11.384 3.588 1.00 14.24 H new ATOM 0 HE1 PHE A 94 6.208 11.432 5.145 1.00 34.45 H new ATOM 0 HE2 PHE A 94 3.154 9.769 2.677 1.00 42.13 H new ATOM 0 HZ PHE A 94 5.492 9.793 3.451 1.00 42.52 H new ATOM 1402 N PRO A 95 2.886 12.333 8.643 1.00 1.34 N ATOM 1403 CA PRO A 95 3.815 12.582 9.751 1.00 54.25 C ATOM 1404 C PRO A 95 5.161 13.110 9.269 1.00 40.42 C ATOM 1405 O PRO A 95 5.745 12.582 8.324 1.00 4.01 O ATOM 1406 CB PRO A 95 3.979 11.204 10.393 1.00 61.50 C ATOM 1407 CG PRO A 95 3.683 10.238 9.299 1.00 21.43 C ATOM 1408 CD PRO A 95 2.643 10.895 8.435 1.00 2.52 C ATOM 0 HA PRO A 95 3.440 13.343 10.435 1.00 54.25 H new ATOM 0 HB2 PRO A 95 4.988 11.066 10.781 1.00 61.50 H new ATOM 0 HB3 PRO A 95 3.295 11.074 11.232 1.00 61.50 H new ATOM 0 HG2 PRO A 95 4.581 10.012 8.724 1.00 21.43 H new ATOM 0 HG3 PRO A 95 3.316 9.294 9.701 1.00 21.43 H new ATOM 0 HD2 PRO A 95 2.756 10.616 7.387 1.00 2.52 H new ATOM 0 HD3 PRO A 95 1.634 10.611 8.734 1.00 2.52 H new ATOM 1416 N LYS A 96 5.653 14.156 9.928 1.00 34.40 N ATOM 1417 CA LYS A 96 6.932 14.755 9.570 1.00 71.11 C ATOM 1418 C LYS A 96 8.078 13.783 9.829 1.00 3.44 C ATOM 1419 O LYS A 96 9.197 13.986 9.355 1.00 34.05 O ATOM 1420 CB LYS A 96 7.153 16.045 10.361 1.00 42.31 C ATOM 1421 CG LYS A 96 6.209 17.169 9.970 1.00 61.44 C ATOM 1422 CD LYS A 96 6.810 18.051 8.889 1.00 45.53 C ATOM 1423 CE LYS A 96 5.751 18.537 7.912 1.00 53.21 C ATOM 1424 NZ LYS A 96 6.081 19.880 7.359 1.00 72.03 N ATOM 0 H LYS A 96 5.183 14.606 10.714 1.00 34.40 H new ATOM 0 HA LYS A 96 6.911 14.989 8.506 1.00 71.11 H new ATOM 0 HB2 LYS A 96 7.033 15.834 11.424 1.00 42.31 H new ATOM 0 HB3 LYS A 96 8.181 16.378 10.216 1.00 42.31 H new ATOM 0 HG2 LYS A 96 5.268 16.748 9.616 1.00 61.44 H new ATOM 0 HG3 LYS A 96 5.978 17.773 10.847 1.00 61.44 H new ATOM 0 HD2 LYS A 96 7.302 18.908 9.349 1.00 45.53 H new ATOM 0 HD3 LYS A 96 7.577 17.495 8.349 1.00 45.53 H new ATOM 0 HE2 LYS A 96 5.655 17.822 7.095 1.00 53.21 H new ATOM 0 HE3 LYS A 96 4.785 18.579 8.415 1.00 53.21 H new ATOM 0 HZ1 LYS A 96 5.335 20.176 6.697 1.00 72.03 H new ATOM 0 HZ2 LYS A 96 6.148 20.568 8.136 1.00 72.03 H new ATOM 0 HZ3 LYS A 96 6.991 19.835 6.857 1.00 72.03 H new ATOM 1438 N LYS A 97 7.794 12.727 10.584 1.00 44.31 N ATOM 1439 CA LYS A 97 8.801 11.722 10.905 1.00 71.15 C ATOM 1440 C LYS A 97 8.936 10.706 9.774 1.00 71.03 C ATOM 1441 O LYS A 97 9.936 9.995 9.683 1.00 61.24 O ATOM 1442 CB LYS A 97 8.439 11.006 12.208 1.00 32.03 C ATOM 1443 CG LYS A 97 8.465 11.911 13.428 1.00 75.45 C ATOM 1444 CD LYS A 97 9.880 12.340 13.773 1.00 41.13 C ATOM 1445 CE LYS A 97 10.146 13.776 13.350 1.00 52.03 C ATOM 1446 NZ LYS A 97 10.382 14.665 14.521 1.00 14.41 N ATOM 0 H LYS A 97 6.874 12.545 10.985 1.00 44.31 H new ATOM 0 HA LYS A 97 9.758 12.229 11.030 1.00 71.15 H new ATOM 0 HB2 LYS A 97 7.444 10.572 12.110 1.00 32.03 H new ATOM 0 HB3 LYS A 97 9.133 10.180 12.364 1.00 32.03 H new ATOM 0 HG2 LYS A 97 7.852 12.793 13.241 1.00 75.45 H new ATOM 0 HG3 LYS A 97 8.024 11.390 14.278 1.00 75.45 H new ATOM 0 HD2 LYS A 97 10.040 12.240 14.847 1.00 41.13 H new ATOM 0 HD3 LYS A 97 10.592 11.677 13.282 1.00 41.13 H new ATOM 0 HE2 LYS A 97 11.014 13.806 12.691 1.00 52.03 H new ATOM 0 HE3 LYS A 97 9.297 14.149 12.776 1.00 52.03 H new ATOM 0 HZ1 LYS A 97 10.559 15.635 14.190 1.00 14.41 H new ATOM 0 HZ2 LYS A 97 9.544 14.657 15.137 1.00 14.41 H new ATOM 0 HZ3 LYS A 97 11.207 14.325 15.054 1.00 14.41 H new ATOM 1460 N ALA A 98 7.923 10.647 8.916 1.00 22.44 N ATOM 1461 CA ALA A 98 7.931 9.721 7.789 1.00 50.24 C ATOM 1462 C ALA A 98 9.028 10.079 6.793 1.00 63.41 C ATOM 1463 O ALA A 98 9.369 11.249 6.624 1.00 62.21 O ATOM 1464 CB ALA A 98 6.574 9.714 7.103 1.00 71.23 C ATOM 0 H ALA A 98 7.087 11.228 8.979 1.00 22.44 H new ATOM 0 HA ALA A 98 8.137 8.722 8.172 1.00 50.24 H new ATOM 0 HB1 ALA A 98 6.594 9.019 6.264 1.00 71.23 H new ATOM 0 HB2 ALA A 98 5.809 9.403 7.814 1.00 71.23 H new ATOM 0 HB3 ALA A 98 6.345 10.716 6.739 1.00 71.23 H new ATOM 1470 N SER A 99 9.580 9.062 6.136 1.00 74.41 N ATOM 1471 CA SER A 99 10.642 9.270 5.158 1.00 74.42 C ATOM 1472 C SER A 99 10.166 8.908 3.756 1.00 45.33 C ATOM 1473 O SER A 99 9.924 7.741 3.450 1.00 0.15 O ATOM 1474 CB SER A 99 11.870 8.434 5.525 1.00 73.14 C ATOM 1475 OG SER A 99 11.719 7.838 6.801 1.00 31.33 O ATOM 0 H SER A 99 9.309 8.087 6.264 1.00 74.41 H new ATOM 0 HA SER A 99 10.913 10.326 5.169 1.00 74.42 H new ATOM 0 HB2 SER A 99 12.024 7.659 4.774 1.00 73.14 H new ATOM 0 HB3 SER A 99 12.759 9.065 5.518 1.00 73.14 H new ATOM 0 HG SER A 99 12.516 7.308 7.011 1.00 31.33 H new ATOM 1481 N VAL A 100 10.035 9.920 2.903 1.00 62.32 N ATOM 1482 CA VAL A 100 9.590 9.710 1.531 1.00 62.12 C ATOM 1483 C VAL A 100 10.571 8.831 0.763 1.00 64.34 C ATOM 1484 O VAL A 100 10.219 8.234 -0.254 1.00 70.34 O ATOM 1485 CB VAL A 100 9.424 11.047 0.784 1.00 43.40 C ATOM 1486 CG1 VAL A 100 8.519 11.986 1.566 1.00 51.50 C ATOM 1487 CG2 VAL A 100 10.780 11.688 0.529 1.00 0.34 C ATOM 0 H VAL A 100 10.231 10.893 3.139 1.00 62.32 H new ATOM 0 HA VAL A 100 8.623 9.209 1.585 1.00 62.12 H new ATOM 0 HB VAL A 100 8.956 10.849 -0.180 1.00 43.40 H new ATOM 0 HG11 VAL A 100 8.413 12.925 1.023 1.00 51.50 H new ATOM 0 HG12 VAL A 100 7.538 11.526 1.691 1.00 51.50 H new ATOM 0 HG13 VAL A 100 8.956 12.180 2.546 1.00 51.50 H new ATOM 0 HG21 VAL A 100 10.643 12.631 0.000 1.00 0.34 H new ATOM 0 HG22 VAL A 100 11.279 11.874 1.480 1.00 0.34 H new ATOM 0 HG23 VAL A 100 11.391 11.018 -0.076 1.00 0.34 H new ATOM 1497 N GLU A 101 11.802 8.755 1.258 1.00 40.11 N ATOM 1498 CA GLU A 101 12.834 7.949 0.617 1.00 20.12 C ATOM 1499 C GLU A 101 12.536 6.460 0.774 1.00 21.42 C ATOM 1500 O GLU A 101 12.661 5.690 -0.177 1.00 32.32 O ATOM 1501 CB GLU A 101 14.207 8.271 1.213 1.00 11.21 C ATOM 1502 CG GLU A 101 14.847 9.518 0.626 1.00 30.22 C ATOM 1503 CD GLU A 101 16.294 9.299 0.229 1.00 65.45 C ATOM 1504 OE1 GLU A 101 16.533 8.603 -0.781 1.00 30.11 O ATOM 1505 OE2 GLU A 101 17.186 9.824 0.926 1.00 41.54 O ATOM 0 H GLU A 101 12.109 9.241 2.100 1.00 40.11 H new ATOM 0 HA GLU A 101 12.841 8.191 -0.446 1.00 20.12 H new ATOM 0 HB2 GLU A 101 14.105 8.398 2.291 1.00 11.21 H new ATOM 0 HB3 GLU A 101 14.872 7.422 1.053 1.00 11.21 H new ATOM 0 HG2 GLU A 101 14.279 9.837 -0.248 1.00 30.22 H new ATOM 0 HG3 GLU A 101 14.792 10.327 1.354 1.00 30.22 H new ATOM 1512 N GLN A 102 12.144 6.065 1.981 1.00 61.22 N ATOM 1513 CA GLN A 102 11.829 4.669 2.262 1.00 43.33 C ATOM 1514 C GLN A 102 10.466 4.293 1.693 1.00 62.43 C ATOM 1515 O GLN A 102 10.246 3.153 1.281 1.00 54.10 O ATOM 1516 CB GLN A 102 11.854 4.413 3.769 1.00 3.44 C ATOM 1517 CG GLN A 102 10.531 4.708 4.459 1.00 20.13 C ATOM 1518 CD GLN A 102 9.582 3.526 4.431 1.00 45.21 C ATOM 1519 OE1 GLN A 102 8.333 3.779 4.054 1.00 64.34 O flip ATOM 1520 NE2 GLN A 102 9.966 2.400 4.744 1.00 4.41 N flip ATOM 0 H GLN A 102 12.037 6.691 2.779 1.00 61.22 H new ATOM 0 HA GLN A 102 12.586 4.048 1.782 1.00 43.33 H new ATOM 0 HB2 GLN A 102 12.123 3.372 3.948 1.00 3.44 H new ATOM 0 HB3 GLN A 102 12.634 5.026 4.220 1.00 3.44 H new ATOM 0 HG2 GLN A 102 10.721 4.992 5.494 1.00 20.13 H new ATOM 0 HG3 GLN A 102 10.056 5.562 3.976 1.00 20.13 H new ATOM 0 HE21 GLN A 102 10.935 2.252 5.027 1.00 4.41 H new ATOM 0 HE22 GLN A 102 9.316 1.614 4.720 1.00 4.41 H new ATOM 1529 N LEU A 103 9.553 5.258 1.671 1.00 70.54 N ATOM 1530 CA LEU A 103 8.209 5.028 1.153 1.00 63.32 C ATOM 1531 C LEU A 103 8.258 4.572 -0.303 1.00 2.21 C ATOM 1532 O LEU A 103 7.454 3.743 -0.730 1.00 32.42 O ATOM 1533 CB LEU A 103 7.369 6.301 1.271 1.00 42.32 C ATOM 1534 CG LEU A 103 5.963 6.127 1.845 1.00 31.23 C ATOM 1535 CD1 LEU A 103 5.430 7.455 2.361 1.00 74.42 C ATOM 1536 CD2 LEU A 103 5.028 5.546 0.794 1.00 34.11 C ATOM 0 H LEU A 103 9.719 6.207 2.006 1.00 70.54 H new ATOM 0 HA LEU A 103 7.748 4.240 1.748 1.00 63.32 H new ATOM 0 HB2 LEU A 103 7.909 7.012 1.896 1.00 42.32 H new ATOM 0 HB3 LEU A 103 7.283 6.748 0.281 1.00 42.32 H new ATOM 0 HG LEU A 103 6.015 5.430 2.682 1.00 31.23 H new ATOM 0 HD11 LEU A 103 4.428 7.312 2.766 1.00 74.42 H new ATOM 0 HD12 LEU A 103 6.088 7.831 3.144 1.00 74.42 H new ATOM 0 HD13 LEU A 103 5.392 8.174 1.543 1.00 74.42 H new ATOM 0 HD21 LEU A 103 4.031 5.428 1.219 1.00 34.11 H new ATOM 0 HD22 LEU A 103 4.980 6.219 -0.062 1.00 34.11 H new ATOM 0 HD23 LEU A 103 5.402 4.574 0.472 1.00 34.11 H new ATOM 1548 N GLN A 104 9.206 5.116 -1.057 1.00 2.43 N ATOM 1549 CA GLN A 104 9.360 4.764 -2.464 1.00 0.15 C ATOM 1550 C GLN A 104 9.852 3.328 -2.614 1.00 21.04 C ATOM 1551 O GLN A 104 9.315 2.556 -3.409 1.00 73.03 O ATOM 1552 CB GLN A 104 10.336 5.723 -3.148 1.00 72.32 C ATOM 1553 CG GLN A 104 10.225 5.723 -4.664 1.00 41.54 C ATOM 1554 CD GLN A 104 11.577 5.678 -5.347 1.00 24.40 C ATOM 1555 OE1 GLN A 104 12.572 6.175 -4.817 1.00 63.15 O ATOM 1556 NE2 GLN A 104 11.623 5.081 -6.534 1.00 13.01 N ATOM 0 H GLN A 104 9.880 5.803 -0.718 1.00 2.43 H new ATOM 0 HA GLN A 104 8.384 4.848 -2.942 1.00 0.15 H new ATOM 0 HB2 GLN A 104 10.159 6.733 -2.779 1.00 72.32 H new ATOM 0 HB3 GLN A 104 11.354 5.454 -2.866 1.00 72.32 H new ATOM 0 HG2 GLN A 104 9.633 4.865 -4.981 1.00 41.54 H new ATOM 0 HG3 GLN A 104 9.689 6.616 -4.985 1.00 41.54 H new ATOM 0 HE21 GLN A 104 10.775 4.682 -6.937 1.00 13.01 H new ATOM 0 HE22 GLN A 104 12.506 5.022 -7.041 1.00 13.01 H new ATOM 1565 N LYS A 105 10.877 2.976 -1.847 1.00 12.32 N ATOM 1566 CA LYS A 105 11.443 1.632 -1.892 1.00 35.11 C ATOM 1567 C LYS A 105 10.368 0.580 -1.636 1.00 74.43 C ATOM 1568 O LYS A 105 10.265 -0.407 -2.365 1.00 15.13 O ATOM 1569 CB LYS A 105 12.564 1.492 -0.860 1.00 61.31 C ATOM 1570 CG LYS A 105 13.949 1.742 -1.430 1.00 31.53 C ATOM 1571 CD LYS A 105 14.940 2.121 -0.343 1.00 14.40 C ATOM 1572 CE LYS A 105 16.374 1.859 -0.777 1.00 61.53 C ATOM 1573 NZ LYS A 105 17.287 2.963 -0.373 1.00 14.33 N ATOM 0 H LYS A 105 11.334 3.603 -1.185 1.00 12.32 H new ATOM 0 HA LYS A 105 11.854 1.472 -2.889 1.00 35.11 H new ATOM 0 HB2 LYS A 105 12.384 2.192 -0.044 1.00 61.31 H new ATOM 0 HB3 LYS A 105 12.531 0.489 -0.434 1.00 61.31 H new ATOM 0 HG2 LYS A 105 14.298 0.847 -1.946 1.00 31.53 H new ATOM 0 HG3 LYS A 105 13.899 2.539 -2.172 1.00 31.53 H new ATOM 0 HD2 LYS A 105 14.822 3.175 -0.093 1.00 14.40 H new ATOM 0 HD3 LYS A 105 14.723 1.553 0.562 1.00 14.40 H new ATOM 0 HE2 LYS A 105 16.720 0.923 -0.339 1.00 61.53 H new ATOM 0 HE3 LYS A 105 16.409 1.737 -1.860 1.00 61.53 H new ATOM 0 HZ1 LYS A 105 18.254 2.746 -0.687 1.00 14.33 H new ATOM 0 HZ2 LYS A 105 16.972 3.852 -0.811 1.00 14.33 H new ATOM 0 HZ3 LYS A 105 17.274 3.063 0.662 1.00 14.33 H new ATOM 1587 N ILE A 106 9.567 0.801 -0.597 1.00 63.51 N ATOM 1588 CA ILE A 106 8.499 -0.128 -0.248 1.00 52.25 C ATOM 1589 C ILE A 106 7.352 -0.050 -1.251 1.00 41.35 C ATOM 1590 O ILE A 106 6.734 -1.061 -1.581 1.00 63.33 O ATOM 1591 CB ILE A 106 7.949 0.152 1.164 1.00 44.45 C ATOM 1592 CG1 ILE A 106 6.875 -0.874 1.530 1.00 64.44 C ATOM 1593 CG2 ILE A 106 7.392 1.565 1.244 1.00 13.31 C ATOM 1594 CD1 ILE A 106 6.393 -0.762 2.958 1.00 11.40 C ATOM 0 H ILE A 106 9.638 1.613 0.016 1.00 63.51 H new ATOM 0 HA ILE A 106 8.931 -1.128 -0.270 1.00 52.25 H new ATOM 0 HB ILE A 106 8.766 0.064 1.881 1.00 44.45 H new ATOM 0 HG12 ILE A 106 6.025 -0.754 0.858 1.00 64.44 H new ATOM 0 HG13 ILE A 106 7.271 -1.876 1.367 1.00 64.44 H new ATOM 0 HG21 ILE A 106 7.007 1.748 2.247 1.00 13.31 H new ATOM 0 HG22 ILE A 106 8.183 2.281 1.023 1.00 13.31 H new ATOM 0 HG23 ILE A 106 6.586 1.680 0.520 1.00 13.31 H new ATOM 0 HD11 ILE A 106 5.633 -1.520 3.146 1.00 11.40 H new ATOM 0 HD12 ILE A 106 7.232 -0.912 3.638 1.00 11.40 H new ATOM 0 HD13 ILE A 106 5.966 0.228 3.121 1.00 11.40 H new ATOM 1606 N ARG A 107 7.076 1.158 -1.734 1.00 3.33 N ATOM 1607 CA ARG A 107 6.006 1.369 -2.699 1.00 62.44 C ATOM 1608 C ARG A 107 6.295 0.626 -4.002 1.00 54.34 C ATOM 1609 O ARG A 107 5.376 0.215 -4.710 1.00 65.41 O ATOM 1610 CB ARG A 107 5.830 2.862 -2.981 1.00 33.51 C ATOM 1611 CG ARG A 107 5.105 3.156 -4.284 1.00 34.25 C ATOM 1612 CD ARG A 107 6.082 3.465 -5.407 1.00 20.21 C ATOM 1613 NE ARG A 107 5.599 2.987 -6.700 1.00 54.02 N ATOM 1614 CZ ARG A 107 6.064 3.423 -7.865 1.00 11.33 C ATOM 1615 NH1 ARG A 107 7.020 4.342 -7.898 1.00 24.43 N ATOM 1616 NH2 ARG A 107 5.575 2.940 -8.999 1.00 54.15 N ATOM 0 H ARG A 107 7.580 2.005 -1.472 1.00 3.33 H new ATOM 0 HA ARG A 107 5.084 0.976 -2.272 1.00 62.44 H new ATOM 0 HB2 ARG A 107 5.278 3.316 -2.158 1.00 33.51 H new ATOM 0 HB3 ARG A 107 6.811 3.336 -3.006 1.00 33.51 H new ATOM 0 HG2 ARG A 107 4.490 2.300 -4.561 1.00 34.25 H new ATOM 0 HG3 ARG A 107 4.431 4.001 -4.144 1.00 34.25 H new ATOM 0 HD2 ARG A 107 6.248 4.541 -5.457 1.00 20.21 H new ATOM 0 HD3 ARG A 107 7.045 3.004 -5.187 1.00 20.21 H new ATOM 0 HE ARG A 107 4.864 2.280 -6.709 1.00 54.02 H new ATOM 0 HH11 ARG A 107 7.399 4.715 -7.028 1.00 24.43 H new ATOM 0 HH12 ARG A 107 7.376 4.676 -8.794 1.00 24.43 H new ATOM 0 HH21 ARG A 107 4.841 2.233 -8.977 1.00 54.15 H new ATOM 0 HH22 ARG A 107 5.933 3.276 -9.893 1.00 54.15 H new ATOM 1630 N ASP A 108 7.576 0.460 -4.310 1.00 13.01 N ATOM 1631 CA ASP A 108 7.986 -0.232 -5.527 1.00 1.54 C ATOM 1632 C ASP A 108 7.463 -1.665 -5.539 1.00 52.31 C ATOM 1633 O ASP A 108 7.088 -2.191 -6.588 1.00 53.42 O ATOM 1634 CB ASP A 108 9.511 -0.233 -5.648 1.00 23.01 C ATOM 1635 CG ASP A 108 10.034 0.993 -6.370 1.00 4.02 C ATOM 1636 OD1 ASP A 108 9.510 1.310 -7.458 1.00 70.44 O ATOM 1637 OD2 ASP A 108 10.968 1.636 -5.848 1.00 12.32 O ATOM 0 H ASP A 108 8.349 0.795 -3.734 1.00 13.01 H new ATOM 0 HA ASP A 108 7.561 0.299 -6.379 1.00 1.54 H new ATOM 0 HB2 ASP A 108 9.952 -0.281 -4.652 1.00 23.01 H new ATOM 0 HB3 ASP A 108 9.830 -1.129 -6.181 1.00 23.01 H new ATOM 1642 N LEU A 109 7.439 -2.291 -4.368 1.00 34.01 N ATOM 1643 CA LEU A 109 6.962 -3.664 -4.243 1.00 24.33 C ATOM 1644 C LEU A 109 5.461 -3.745 -4.505 1.00 45.24 C ATOM 1645 O LEU A 109 4.968 -4.736 -5.042 1.00 33.50 O ATOM 1646 CB LEU A 109 7.278 -4.211 -2.850 1.00 61.54 C ATOM 1647 CG LEU A 109 8.680 -4.790 -2.658 1.00 25.11 C ATOM 1648 CD1 LEU A 109 8.869 -6.027 -3.522 1.00 25.25 C ATOM 1649 CD2 LEU A 109 9.738 -3.744 -2.983 1.00 12.45 C ATOM 0 H LEU A 109 7.744 -1.870 -3.491 1.00 34.01 H new ATOM 0 HA LEU A 109 7.476 -4.270 -4.989 1.00 24.33 H new ATOM 0 HB2 LEU A 109 7.136 -3.409 -2.126 1.00 61.54 H new ATOM 0 HB3 LEU A 109 6.551 -4.987 -2.613 1.00 61.54 H new ATOM 0 HG LEU A 109 8.793 -5.080 -1.613 1.00 25.11 H new ATOM 0 HD11 LEU A 109 9.872 -6.425 -3.372 1.00 25.25 H new ATOM 0 HD12 LEU A 109 8.134 -6.782 -3.243 1.00 25.25 H new ATOM 0 HD13 LEU A 109 8.737 -5.762 -4.571 1.00 25.25 H new ATOM 0 HD21 LEU A 109 10.730 -4.173 -2.841 1.00 12.45 H new ATOM 0 HD22 LEU A 109 9.626 -3.423 -4.019 1.00 12.45 H new ATOM 0 HD23 LEU A 109 9.616 -2.886 -2.322 1.00 12.45 H new ATOM 1661 N ILE A 110 4.742 -2.694 -4.124 1.00 11.22 N ATOM 1662 CA ILE A 110 3.299 -2.645 -4.321 1.00 51.34 C ATOM 1663 C ILE A 110 2.950 -2.492 -5.798 1.00 11.04 C ATOM 1664 O ILE A 110 2.092 -3.202 -6.320 1.00 71.02 O ATOM 1665 CB ILE A 110 2.662 -1.485 -3.532 1.00 3.01 C ATOM 1666 CG1 ILE A 110 3.345 -1.330 -2.172 1.00 31.01 C ATOM 1667 CG2 ILE A 110 1.170 -1.721 -3.357 1.00 73.34 C ATOM 1668 CD1 ILE A 110 3.477 -2.630 -1.409 1.00 64.21 C ATOM 0 H ILE A 110 5.135 -1.866 -3.677 1.00 11.22 H new ATOM 0 HA ILE A 110 2.898 -3.589 -3.951 1.00 51.34 H new ATOM 0 HB ILE A 110 2.801 -0.562 -4.095 1.00 3.01 H new ATOM 0 HG12 ILE A 110 4.337 -0.903 -2.319 1.00 31.01 H new ATOM 0 HG13 ILE A 110 2.779 -0.620 -1.569 1.00 31.01 H new ATOM 0 HG21 ILE A 110 0.734 -0.893 -2.798 1.00 73.34 H new ATOM 0 HG22 ILE A 110 0.695 -1.788 -4.336 1.00 73.34 H new ATOM 0 HG23 ILE A 110 1.010 -2.651 -2.812 1.00 73.34 H new ATOM 0 HD11 ILE A 110 3.970 -2.444 -0.455 1.00 64.21 H new ATOM 0 HD12 ILE A 110 2.487 -3.049 -1.230 1.00 64.21 H new ATOM 0 HD13 ILE A 110 4.069 -3.335 -1.992 1.00 64.21 H new ATOM 1680 N ALA A 111 3.624 -1.562 -6.466 1.00 42.31 N ATOM 1681 CA ALA A 111 3.388 -1.319 -7.883 1.00 52.44 C ATOM 1682 C ALA A 111 3.569 -2.595 -8.697 1.00 75.33 C ATOM 1683 O ALA A 111 2.761 -2.903 -9.574 1.00 52.35 O ATOM 1684 CB ALA A 111 4.320 -0.228 -8.393 1.00 73.22 C ATOM 0 H ALA A 111 4.338 -0.965 -6.048 1.00 42.31 H new ATOM 0 HA ALA A 111 2.357 -0.987 -8.003 1.00 52.44 H new ATOM 0 HB1 ALA A 111 4.133 -0.056 -9.453 1.00 73.22 H new ATOM 0 HB2 ALA A 111 4.140 0.693 -7.839 1.00 73.22 H new ATOM 0 HB3 ALA A 111 5.355 -0.539 -8.253 1.00 73.22 H new ATOM 1690 N ILE A 112 4.633 -3.333 -8.402 1.00 3.42 N ATOM 1691 CA ILE A 112 4.919 -4.577 -9.107 1.00 44.41 C ATOM 1692 C ILE A 112 3.955 -5.681 -8.687 1.00 31.13 C ATOM 1693 O ILE A 112 3.559 -6.514 -9.501 1.00 41.32 O ATOM 1694 CB ILE A 112 6.363 -5.048 -8.853 1.00 44.34 C ATOM 1695 CG1 ILE A 112 6.661 -6.310 -9.668 1.00 14.54 C ATOM 1696 CG2 ILE A 112 6.584 -5.304 -7.371 1.00 2.32 C ATOM 1697 CD1 ILE A 112 6.431 -7.592 -8.899 1.00 60.23 C ATOM 0 H ILE A 112 5.312 -3.092 -7.680 1.00 3.42 H new ATOM 0 HA ILE A 112 4.793 -4.373 -10.170 1.00 44.41 H new ATOM 0 HB ILE A 112 7.048 -4.262 -9.171 1.00 44.34 H new ATOM 0 HG12 ILE A 112 6.035 -6.313 -10.560 1.00 14.54 H new ATOM 0 HG13 ILE A 112 7.697 -6.279 -10.006 1.00 14.54 H new ATOM 0 HG21 ILE A 112 7.609 -5.636 -7.208 1.00 2.32 H new ATOM 0 HG22 ILE A 112 6.407 -4.385 -6.813 1.00 2.32 H new ATOM 0 HG23 ILE A 112 5.894 -6.075 -7.028 1.00 2.32 H new ATOM 0 HD11 ILE A 112 6.661 -8.445 -9.537 1.00 60.23 H new ATOM 0 HD12 ILE A 112 7.077 -7.610 -8.021 1.00 60.23 H new ATOM 0 HD13 ILE A 112 5.389 -7.645 -8.584 1.00 60.23 H new ATOM 1709 N GLU A 113 3.580 -5.679 -7.411 1.00 42.15 N ATOM 1710 CA GLU A 113 2.660 -6.680 -6.884 1.00 1.32 C ATOM 1711 C GLU A 113 1.307 -6.597 -7.583 1.00 72.22 C ATOM 1712 O GLU A 113 0.648 -7.613 -7.806 1.00 71.43 O ATOM 1713 CB GLU A 113 2.481 -6.495 -5.376 1.00 12.21 C ATOM 1714 CG GLU A 113 1.699 -7.618 -4.713 1.00 64.31 C ATOM 1715 CD GLU A 113 2.562 -8.472 -3.805 1.00 74.33 C ATOM 1716 OE1 GLU A 113 3.244 -7.903 -2.928 1.00 5.11 O ATOM 1717 OE2 GLU A 113 2.550 -9.710 -3.971 1.00 10.20 O ATOM 0 H GLU A 113 3.899 -4.996 -6.724 1.00 42.15 H new ATOM 0 HA GLU A 113 3.087 -7.665 -7.074 1.00 1.32 H new ATOM 0 HB2 GLU A 113 3.463 -6.422 -4.908 1.00 12.21 H new ATOM 0 HB3 GLU A 113 1.970 -5.550 -5.193 1.00 12.21 H new ATOM 0 HG2 GLU A 113 0.879 -7.192 -4.134 1.00 64.31 H new ATOM 0 HG3 GLU A 113 1.253 -8.248 -5.482 1.00 64.31 H new ATOM 1724 N ARG A 114 0.898 -5.380 -7.926 1.00 11.34 N ATOM 1725 CA ARG A 114 -0.378 -5.162 -8.596 1.00 22.34 C ATOM 1726 C ARG A 114 -0.456 -5.968 -9.891 1.00 3.33 C ATOM 1727 O ARG A 114 -1.435 -6.673 -10.137 1.00 4.24 O ATOM 1728 CB ARG A 114 -0.573 -3.676 -8.897 1.00 71.24 C ATOM 1729 CG ARG A 114 -1.114 -2.882 -7.718 1.00 4.34 C ATOM 1730 CD ARG A 114 -0.667 -1.429 -7.774 1.00 73.34 C ATOM 1731 NE ARG A 114 -1.030 -0.795 -9.039 1.00 44.53 N ATOM 1732 CZ ARG A 114 -1.127 0.521 -9.200 1.00 30.41 C ATOM 1733 NH1 ARG A 114 -0.891 1.335 -8.182 1.00 4.30 N ATOM 1734 NH2 ARG A 114 -1.461 1.022 -10.382 1.00 20.12 N ATOM 0 H ARG A 114 1.433 -4.529 -7.751 1.00 11.34 H new ATOM 0 HA ARG A 114 -1.172 -5.498 -7.929 1.00 22.34 H new ATOM 0 HB2 ARG A 114 0.381 -3.248 -9.205 1.00 71.24 H new ATOM 0 HB3 ARG A 114 -1.257 -3.571 -9.739 1.00 71.24 H new ATOM 0 HG2 ARG A 114 -2.203 -2.929 -7.715 1.00 4.34 H new ATOM 0 HG3 ARG A 114 -0.773 -3.333 -6.786 1.00 4.34 H new ATOM 0 HD2 ARG A 114 -1.119 -0.878 -6.949 1.00 73.34 H new ATOM 0 HD3 ARG A 114 0.413 -1.376 -7.638 1.00 73.34 H new ATOM 0 HE ARG A 114 -1.219 -1.395 -9.842 1.00 44.53 H new ATOM 0 HH11 ARG A 114 -0.634 0.952 -7.272 1.00 4.30 H new ATOM 0 HH12 ARG A 114 -0.966 2.344 -8.308 1.00 4.30 H new ATOM 0 HH21 ARG A 114 -1.643 0.397 -11.168 1.00 20.12 H new ATOM 0 HH22 ARG A 114 -1.535 2.032 -10.505 1.00 20.12 H new ATOM 1748 N SER A 115 0.584 -5.859 -10.713 1.00 72.24 N ATOM 1749 CA SER A 115 0.631 -6.572 -11.983 1.00 25.15 C ATOM 1750 C SER A 115 0.891 -8.060 -11.760 1.00 61.23 C ATOM 1751 O SER A 115 0.402 -8.906 -12.510 1.00 3.42 O ATOM 1752 CB SER A 115 1.718 -5.984 -12.884 1.00 12.53 C ATOM 1753 OG SER A 115 2.137 -4.714 -12.413 1.00 44.43 O ATOM 0 H SER A 115 1.404 -5.284 -10.521 1.00 72.24 H new ATOM 0 HA SER A 115 -0.337 -6.457 -12.471 1.00 25.15 H new ATOM 0 HB2 SER A 115 2.571 -6.662 -12.920 1.00 12.53 H new ATOM 0 HB3 SER A 115 1.340 -5.892 -13.902 1.00 12.53 H new ATOM 0 HG SER A 115 2.833 -4.359 -13.004 1.00 44.43 H new ATOM 1759 N SER A 116 1.662 -8.372 -10.724 1.00 73.14 N ATOM 1760 CA SER A 116 1.990 -9.756 -10.403 1.00 2.52 C ATOM 1761 C SER A 116 0.728 -10.554 -10.089 1.00 1.23 C ATOM 1762 O SER A 116 0.652 -11.750 -10.370 1.00 1.45 O ATOM 1763 CB SER A 116 2.951 -9.811 -9.215 1.00 60.40 C ATOM 1764 OG SER A 116 2.985 -11.110 -8.646 1.00 54.25 O ATOM 0 H SER A 116 2.072 -7.684 -10.092 1.00 73.14 H new ATOM 0 HA SER A 116 2.473 -10.201 -11.273 1.00 2.52 H new ATOM 0 HB2 SER A 116 3.952 -9.526 -9.539 1.00 60.40 H new ATOM 0 HB3 SER A 116 2.643 -9.088 -8.460 1.00 60.40 H new ATOM 0 HG SER A 116 3.608 -11.119 -7.889 1.00 54.25 H new ATOM 1770 N ARG A 117 -0.260 -9.883 -9.506 1.00 41.44 N ATOM 1771 CA ARG A 117 -1.517 -10.529 -9.152 1.00 70.13 C ATOM 1772 C ARG A 117 -2.395 -10.720 -10.386 1.00 70.40 C ATOM 1773 O ARG A 117 -3.213 -11.640 -10.441 1.00 54.12 O ATOM 1774 CB ARG A 117 -2.264 -9.701 -8.106 1.00 73.24 C ATOM 1775 CG ARG A 117 -3.548 -10.351 -7.617 1.00 52.42 C ATOM 1776 CD ARG A 117 -3.263 -11.531 -6.703 1.00 4.20 C ATOM 1777 NE ARG A 117 -4.463 -12.319 -6.433 1.00 41.21 N ATOM 1778 CZ ARG A 117 -4.946 -13.230 -7.270 1.00 74.54 C ATOM 1779 NH1 ARG A 117 -4.335 -13.467 -8.423 1.00 33.03 N ATOM 1780 NH2 ARG A 117 -6.043 -13.905 -6.955 1.00 72.42 N ATOM 0 H ARG A 117 -0.214 -8.892 -9.269 1.00 41.44 H new ATOM 0 HA ARG A 117 -1.288 -11.509 -8.733 1.00 70.13 H new ATOM 0 HB2 ARG A 117 -1.606 -9.529 -7.254 1.00 73.24 H new ATOM 0 HB3 ARG A 117 -2.499 -8.724 -8.529 1.00 73.24 H new ATOM 0 HG2 ARG A 117 -4.150 -9.614 -7.085 1.00 52.42 H new ATOM 0 HG3 ARG A 117 -4.136 -10.685 -8.472 1.00 52.42 H new ATOM 0 HD2 ARG A 117 -2.506 -12.169 -7.160 1.00 4.20 H new ATOM 0 HD3 ARG A 117 -2.848 -11.169 -5.762 1.00 4.20 H new ATOM 0 HE ARG A 117 -4.956 -12.161 -5.554 1.00 41.21 H new ATOM 0 HH11 ARG A 117 -3.492 -12.949 -8.669 1.00 33.03 H new ATOM 0 HH12 ARG A 117 -4.709 -14.167 -9.064 1.00 33.03 H new ATOM 0 HH21 ARG A 117 -6.516 -13.725 -6.070 1.00 72.42 H new ATOM 0 HH22 ARG A 117 -6.414 -14.605 -7.598 1.00 72.42 H new ATOM 1794 N LEU A 118 -2.220 -9.848 -11.371 1.00 64.53 N ATOM 1795 CA LEU A 118 -2.996 -9.920 -12.605 1.00 73.33 C ATOM 1796 C LEU A 118 -2.651 -11.180 -13.393 1.00 53.45 C ATOM 1797 O LEU A 118 -3.531 -11.957 -13.758 1.00 32.51 O ATOM 1798 CB LEU A 118 -2.743 -8.680 -13.465 1.00 11.34 C ATOM 1799 CG LEU A 118 -3.650 -8.512 -14.683 1.00 61.32 C ATOM 1800 CD1 LEU A 118 -4.795 -7.561 -14.369 1.00 32.02 C ATOM 1801 CD2 LEU A 118 -2.851 -8.010 -15.878 1.00 12.21 C ATOM 0 H LEU A 118 -1.547 -9.082 -11.340 1.00 64.53 H new ATOM 0 HA LEU A 118 -4.052 -9.959 -12.338 1.00 73.33 H new ATOM 0 HB2 LEU A 118 -2.848 -7.797 -12.834 1.00 11.34 H new ATOM 0 HB3 LEU A 118 -1.709 -8.705 -13.808 1.00 11.34 H new ATOM 0 HG LEU A 118 -4.071 -9.485 -14.935 1.00 61.32 H new ATOM 0 HD11 LEU A 118 -5.430 -7.454 -15.248 1.00 32.02 H new ATOM 0 HD12 LEU A 118 -5.383 -7.960 -13.543 1.00 32.02 H new ATOM 0 HD13 LEU A 118 -4.393 -6.587 -14.091 1.00 32.02 H new ATOM 0 HD21 LEU A 118 -3.513 -7.896 -16.736 1.00 12.21 H new ATOM 0 HD22 LEU A 118 -2.401 -7.047 -15.636 1.00 12.21 H new ATOM 0 HD23 LEU A 118 -2.066 -8.727 -16.118 1.00 12.21 H new ATOM 1813 N ASP A 119 -1.362 -11.374 -13.651 1.00 2.32 N ATOM 1814 CA ASP A 119 -0.898 -12.541 -14.393 1.00 62.22 C ATOM 1815 C ASP A 119 -1.640 -12.671 -15.720 1.00 42.03 C ATOM 1816 O ASP A 119 -1.813 -13.771 -16.241 1.00 52.30 O ATOM 1817 CB ASP A 119 -1.090 -13.810 -13.561 1.00 23.12 C ATOM 1818 CG ASP A 119 0.103 -14.741 -13.642 1.00 23.51 C ATOM 1819 OD1 ASP A 119 0.139 -15.583 -14.566 1.00 72.41 O ATOM 1820 OD2 ASP A 119 1.003 -14.628 -12.785 1.00 1.03 O ATOM 0 H ASP A 119 -0.620 -10.738 -13.357 1.00 2.32 H new ATOM 0 HA ASP A 119 0.164 -12.410 -14.602 1.00 62.22 H new ATOM 0 HB2 ASP A 119 -1.263 -13.536 -12.520 1.00 23.12 H new ATOM 0 HB3 ASP A 119 -1.981 -14.335 -13.905 1.00 23.12 H new ATOM 1825 N GLY A 120 -2.076 -11.537 -16.261 1.00 41.13 N ATOM 1826 CA GLY A 120 -2.794 -11.546 -17.523 1.00 5.35 C ATOM 1827 C GLY A 120 -1.911 -11.169 -18.697 1.00 11.43 C ATOM 1828 O GLY A 120 -2.406 -10.788 -19.757 1.00 21.12 O ATOM 0 H GLY A 120 -1.945 -10.613 -15.849 1.00 41.13 H new ATOM 0 HA2 GLY A 120 -3.213 -12.538 -17.692 1.00 5.35 H new ATOM 0 HA3 GLY A 120 -3.632 -10.852 -17.465 1.00 5.35 H new ATOM 1832 N SER A 121 -0.599 -11.272 -18.505 1.00 20.21 N ATOM 1833 CA SER A 121 0.354 -10.934 -19.555 1.00 14.30 C ATOM 1834 C SER A 121 0.075 -9.543 -20.114 1.00 71.32 C ATOM 1835 O SER A 121 -0.377 -9.398 -21.249 1.00 63.22 O ATOM 1836 CB SER A 121 0.297 -11.969 -20.678 1.00 24.02 C ATOM 1837 OG SER A 121 0.357 -13.288 -20.161 1.00 50.32 O ATOM 0 H SER A 121 -0.173 -11.586 -17.633 1.00 20.21 H new ATOM 0 HA SER A 121 1.353 -10.938 -19.119 1.00 14.30 H new ATOM 0 HB2 SER A 121 -0.623 -11.840 -21.249 1.00 24.02 H new ATOM 0 HB3 SER A 121 1.125 -11.808 -21.368 1.00 24.02 H new ATOM 0 HG SER A 121 0.317 -13.931 -20.900 1.00 50.32 H new ATOM 1843 N SER A 122 0.349 -8.521 -19.308 1.00 72.44 N ATOM 1844 CA SER A 122 0.122 -7.141 -19.721 1.00 65.21 C ATOM 1845 C SER A 122 0.968 -6.181 -18.891 1.00 12.33 C ATOM 1846 O SER A 122 1.720 -6.599 -18.010 1.00 2.44 O ATOM 1847 CB SER A 122 -1.357 -6.781 -19.587 1.00 34.30 C ATOM 1848 OG SER A 122 -2.025 -6.889 -20.833 1.00 10.53 O ATOM 0 H SER A 122 0.728 -8.623 -18.367 1.00 72.44 H new ATOM 0 HA SER A 122 0.416 -7.048 -20.766 1.00 65.21 H new ATOM 0 HB2 SER A 122 -1.830 -7.440 -18.859 1.00 34.30 H new ATOM 0 HB3 SER A 122 -1.454 -5.764 -19.206 1.00 34.30 H new ATOM 0 HG SER A 122 -1.717 -7.694 -21.300 1.00 10.53 H new ATOM 1854 N LYS A 123 0.841 -4.890 -19.176 1.00 75.13 N ATOM 1855 CA LYS A 123 1.591 -3.867 -18.457 1.00 72.23 C ATOM 1856 C LYS A 123 0.949 -2.495 -18.634 1.00 51.00 C ATOM 1857 O LYS A 123 0.338 -2.212 -19.665 1.00 4.03 O ATOM 1858 CB LYS A 123 3.040 -3.830 -18.945 1.00 24.34 C ATOM 1859 CG LYS A 123 3.968 -3.040 -18.038 1.00 44.11 C ATOM 1860 CD LYS A 123 5.345 -2.874 -18.659 1.00 52.22 C ATOM 1861 CE LYS A 123 5.320 -1.880 -19.811 1.00 71.30 C ATOM 1862 NZ LYS A 123 6.681 -1.364 -20.128 1.00 25.24 N ATOM 0 H LYS A 123 0.224 -4.526 -19.902 1.00 75.13 H new ATOM 0 HA LYS A 123 1.577 -4.121 -17.397 1.00 72.23 H new ATOM 0 HB2 LYS A 123 3.412 -4.851 -19.030 1.00 24.34 H new ATOM 0 HB3 LYS A 123 3.067 -3.396 -19.945 1.00 24.34 H new ATOM 0 HG2 LYS A 123 3.536 -2.059 -17.840 1.00 44.11 H new ATOM 0 HG3 LYS A 123 4.059 -3.548 -17.078 1.00 44.11 H new ATOM 0 HD2 LYS A 123 6.050 -2.535 -17.900 1.00 52.22 H new ATOM 0 HD3 LYS A 123 5.703 -3.839 -19.017 1.00 52.22 H new ATOM 0 HE2 LYS A 123 4.898 -2.359 -20.695 1.00 71.30 H new ATOM 0 HE3 LYS A 123 4.665 -1.046 -19.557 1.00 71.30 H new ATOM 0 HZ1 LYS A 123 6.621 -0.690 -20.918 1.00 25.24 H new ATOM 0 HZ2 LYS A 123 7.074 -0.885 -19.293 1.00 25.24 H new ATOM 0 HZ3 LYS A 123 7.299 -2.157 -20.395 1.00 25.24 H new ATOM 1876 N LYS A 124 1.091 -1.646 -17.623 1.00 43.33 N ATOM 1877 CA LYS A 124 0.528 -0.301 -17.668 1.00 63.44 C ATOM 1878 C LYS A 124 1.534 0.691 -18.242 1.00 71.33 C ATOM 1879 O LYS A 124 1.263 1.890 -18.321 1.00 73.54 O ATOM 1880 CB LYS A 124 0.102 0.141 -16.266 1.00 42.33 C ATOM 1881 CG LYS A 124 1.268 0.425 -15.336 1.00 25.23 C ATOM 1882 CD LYS A 124 1.324 1.890 -14.940 1.00 44.52 C ATOM 1883 CE LYS A 124 2.571 2.201 -14.125 1.00 24.44 C ATOM 1884 NZ LYS A 124 3.572 2.970 -14.915 1.00 41.35 N ATOM 0 H LYS A 124 1.591 -1.865 -16.762 1.00 43.33 H new ATOM 0 HA LYS A 124 -0.347 -0.321 -18.318 1.00 63.44 H new ATOM 0 HB2 LYS A 124 -0.513 1.037 -16.348 1.00 42.33 H new ATOM 0 HB3 LYS A 124 -0.523 -0.635 -15.824 1.00 42.33 H new ATOM 0 HG2 LYS A 124 1.179 -0.191 -14.441 1.00 25.23 H new ATOM 0 HG3 LYS A 124 2.201 0.144 -15.825 1.00 25.23 H new ATOM 0 HD2 LYS A 124 1.310 2.511 -15.836 1.00 44.52 H new ATOM 0 HD3 LYS A 124 0.437 2.145 -14.361 1.00 44.52 H new ATOM 0 HE2 LYS A 124 2.293 2.771 -13.238 1.00 24.44 H new ATOM 0 HE3 LYS A 124 3.020 1.270 -13.778 1.00 24.44 H new ATOM 0 HZ1 LYS A 124 4.407 3.162 -14.325 1.00 41.35 H new ATOM 0 HZ2 LYS A 124 3.857 2.416 -15.748 1.00 41.35 H new ATOM 0 HZ3 LYS A 124 3.153 3.870 -15.225 1.00 41.35 H new TER 1898 LYS A 124