USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 877 hydrogens (128 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 NoAdj-H: A 17 MLY H2 : A 17 MLY N : A 16 PRO C :(H bumps) USER MOD NoAdj-H: A 34 MLY H2 : A 34 MLY N : A 33 GLY C :(H bumps) USER MOD NoAdj-H: A 35 MLY H2 : A 35 MLY N : A 34 MLY C :(H bumps) USER MOD NoAdj-H: A 44 MLY H2 : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 44 MLY H : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 47 MLY H2 : A 47 MLY N : A 46 PHE C :(H bumps) USER MOD NoAdj-H: A 52 MLY H2 : A 52 MLY N : A 51 GLY C :(H bumps) USER MOD NoAdj-H: A 73 MLY H2 : A 73 MLY N : A 72 ALA C :(H bumps) USER MOD NoAdj-H: A 105 MLY H2 : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD NoAdj-H: A 105 MLY H : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.012 F(o=-2.6!,f=-0.012) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -159:sc= 0 (180deg=-0.188) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.0903 F(o=-1.5!,f=-0.09) USER MOD Single : A 21 THR OG1 : rot -47:sc= 1.4 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.199 USER MOD Single : A 25 HIS :FLIP no HD1:sc= -1.07 F(o=-1.6,f=-1.1) USER MOD Single : A 26 TYR OH : rot -39:sc= 1.3 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0343 USER MOD Single : A 29 MET CE :methyl -169:sc= 0 (180deg=-0.0759) USER MOD Single : A 38 SER OG : rot -150:sc= -0.549 USER MOD Single : A 39 SER OG : rot -52:sc= 0.54 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl -142:sc= 0 (180deg=-0.2) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.465 K(o=-0.47,f=-0.97) USER MOD Single : A 66 MET CE :methyl -177:sc= -2.71! (180deg=-2.85!) USER MOD Single : A 67 SER OG : rot -100:sc= 0.471 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.936 F(o=-1.9,f=-0.94) USER MOD Single : A 75 THR OG1 : rot 73:sc= 0.0381 USER MOD Single : A 77 SER OG : rot -80:sc= 1.22 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.216 X(o=-0.22,f=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 101:sc= 0.102 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -10.109 -7.453 -19.695 1.00 23.20 N ATOM 2 CA GLY A -3 -9.937 -8.822 -19.246 1.00 43.12 C ATOM 3 C GLY A -3 -9.385 -8.905 -17.826 1.00 10.33 C ATOM 4 O GLY A -3 -8.180 -9.113 -17.660 1.00 34.23 O ATOM 0 H1 GLY A -3 -10.791 -7.428 -20.480 1.00 23.20 H new ATOM 0 H2 GLY A -3 -10.464 -6.872 -18.909 1.00 23.20 H new ATOM 0 H3 GLY A -3 -9.195 -7.076 -20.019 1.00 23.20 H new ATOM 0 HA2 GLY A -3 -10.896 -9.339 -19.291 1.00 43.12 H new ATOM 0 HA3 GLY A -3 -9.262 -9.342 -19.926 1.00 43.12 H new ATOM 8 N PRO A -2 -10.240 -8.748 -16.768 1.00 43.42 N ATOM 9 CA PRO A -2 -9.800 -8.813 -15.360 1.00 72.12 C ATOM 10 C PRO A -2 -9.534 -10.244 -14.889 1.00 24.33 C ATOM 11 O PRO A -2 -10.331 -11.150 -15.151 1.00 1.42 O ATOM 12 CB PRO A -2 -10.979 -8.208 -14.573 1.00 65.32 C ATOM 13 CG PRO A -2 -11.930 -7.677 -15.599 1.00 23.11 C ATOM 14 CD PRO A -2 -11.689 -8.477 -16.843 1.00 3.14 C ATOM 0 HA PRO A -2 -8.858 -8.284 -15.217 1.00 72.12 H new ATOM 0 HB2 PRO A -2 -11.459 -8.962 -13.949 1.00 65.32 H new ATOM 0 HB3 PRO A -2 -10.638 -7.414 -13.909 1.00 65.32 H new ATOM 0 HG2 PRO A -2 -12.962 -7.779 -15.264 1.00 23.11 H new ATOM 0 HG3 PRO A -2 -11.757 -6.616 -15.778 1.00 23.11 H new ATOM 0 HD2 PRO A -2 -12.274 -9.396 -16.855 1.00 3.14 H new ATOM 0 HD3 PRO A -2 -11.952 -7.920 -17.742 1.00 3.14 H new ATOM 22 N SER A -1 -8.406 -10.430 -14.195 1.00 54.30 N ATOM 23 CA SER A -1 -8.013 -11.742 -13.676 1.00 74.21 C ATOM 24 C SER A -1 -7.647 -11.665 -12.192 1.00 44.31 C ATOM 25 O SER A -1 -8.026 -12.542 -11.410 1.00 24.24 O ATOM 26 CB SER A -1 -6.834 -12.301 -14.479 1.00 35.31 C ATOM 27 OG SER A -1 -7.173 -12.450 -15.847 1.00 34.24 O ATOM 0 H SER A -1 -7.746 -9.683 -13.979 1.00 54.30 H new ATOM 0 HA SER A -1 -8.866 -12.412 -13.781 1.00 74.21 H new ATOM 0 HB2 SER A -1 -5.977 -11.634 -14.384 1.00 35.31 H new ATOM 0 HB3 SER A -1 -6.535 -13.265 -14.068 1.00 35.31 H new ATOM 0 HG SER A -1 -6.403 -12.807 -16.338 1.00 34.24 H new ATOM 33 N MET A 0 -6.910 -10.611 -11.817 1.00 71.24 N ATOM 34 CA MET A 0 -6.484 -10.407 -10.430 1.00 20.33 C ATOM 35 C MET A 0 -7.066 -9.115 -9.862 1.00 73.21 C ATOM 36 O MET A 0 -7.373 -8.181 -10.611 1.00 22.03 O ATOM 37 CB MET A 0 -4.954 -10.373 -10.337 1.00 31.50 C ATOM 38 CG MET A 0 -4.299 -11.740 -10.462 1.00 40.30 C ATOM 39 SD MET A 0 -4.732 -12.848 -9.107 1.00 23.03 S ATOM 40 CE MET A 0 -3.812 -14.316 -9.561 1.00 60.20 C ATOM 0 H MET A 0 -6.596 -9.884 -12.460 1.00 71.24 H new ATOM 0 HA MET A 0 -6.858 -11.244 -9.840 1.00 20.33 H new ATOM 0 HB2 MET A 0 -4.566 -9.722 -11.121 1.00 31.50 H new ATOM 0 HB3 MET A 0 -4.667 -9.929 -9.384 1.00 31.50 H new ATOM 0 HG2 MET A 0 -4.596 -12.195 -11.407 1.00 40.30 H new ATOM 0 HG3 MET A 0 -3.216 -11.618 -10.494 1.00 40.30 H new ATOM 0 HE1 MET A 0 -3.978 -15.094 -8.816 1.00 60.20 H new ATOM 0 HE2 MET A 0 -4.148 -14.669 -10.536 1.00 60.20 H new ATOM 0 HE3 MET A 0 -2.749 -14.079 -9.607 1.00 60.20 H new ATOM 50 N GLY A 1 -7.212 -9.076 -8.532 1.00 60.01 N ATOM 51 CA GLY A 1 -7.751 -7.901 -7.855 1.00 13.55 C ATOM 52 C GLY A 1 -6.674 -6.910 -7.435 1.00 3.14 C ATOM 53 O GLY A 1 -6.949 -5.713 -7.306 1.00 44.31 O ATOM 0 H GLY A 1 -6.964 -9.845 -7.909 1.00 60.01 H new ATOM 0 HA2 GLY A 1 -8.459 -7.401 -8.516 1.00 13.55 H new ATOM 0 HA3 GLY A 1 -8.307 -8.220 -6.974 1.00 13.55 H new ATOM 57 N VAL A 2 -5.452 -7.414 -7.224 1.00 52.34 N ATOM 58 CA VAL A 2 -4.321 -6.577 -6.817 1.00 33.20 C ATOM 59 C VAL A 2 -3.091 -6.867 -7.699 1.00 63.10 C ATOM 60 O VAL A 2 -2.590 -7.996 -7.732 1.00 55.34 O ATOM 61 CB VAL A 2 -4.010 -6.743 -5.284 1.00 71.54 C ATOM 62 CG1 VAL A 2 -3.602 -8.171 -4.906 1.00 32.31 C ATOM 63 CG2 VAL A 2 -2.958 -5.742 -4.809 1.00 64.22 C ATOM 0 H VAL A 2 -5.222 -8.402 -7.330 1.00 52.34 H new ATOM 0 HA VAL A 2 -4.591 -5.532 -6.967 1.00 33.20 H new ATOM 0 HB VAL A 2 -4.947 -6.531 -4.768 1.00 71.54 H new ATOM 0 HG11 VAL A 2 -3.401 -8.221 -3.836 1.00 32.31 H new ATOM 0 HG12 VAL A 2 -4.410 -8.858 -5.156 1.00 32.31 H new ATOM 0 HG13 VAL A 2 -2.704 -8.451 -5.457 1.00 32.31 H new ATOM 0 HG21 VAL A 2 -2.771 -5.888 -3.745 1.00 64.22 H new ATOM 0 HG22 VAL A 2 -2.033 -5.895 -5.365 1.00 64.22 H new ATOM 0 HG23 VAL A 2 -3.319 -4.727 -4.978 1.00 64.22 H new ATOM 73 N GLN A 3 -2.630 -5.834 -8.414 1.00 54.51 N ATOM 74 CA GLN A 3 -1.470 -5.954 -9.302 1.00 12.04 C ATOM 75 C GLN A 3 -0.340 -5.037 -8.839 1.00 65.23 C ATOM 76 O GLN A 3 -0.517 -3.818 -8.748 1.00 65.11 O ATOM 77 CB GLN A 3 -1.848 -5.619 -10.755 1.00 73.14 C ATOM 78 CG GLN A 3 -2.914 -6.533 -11.352 1.00 31.23 C ATOM 79 CD GLN A 3 -4.306 -5.941 -11.253 1.00 1.13 C ATOM 80 OE1 GLN A 3 -4.968 -6.165 -10.124 1.00 52.13 O flip ATOM 81 NE2 GLN A 3 -4.778 -5.278 -12.177 1.00 15.44 N flip ATOM 0 H GLN A 3 -3.045 -4.903 -8.394 1.00 54.51 H new ATOM 0 HA GLN A 3 -1.129 -6.988 -9.261 1.00 12.04 H new ATOM 0 HB2 GLN A 3 -2.203 -4.589 -10.798 1.00 73.14 H new ATOM 0 HB3 GLN A 3 -0.952 -5.673 -11.373 1.00 73.14 H new ATOM 0 HG2 GLN A 3 -2.678 -6.726 -12.399 1.00 31.23 H new ATOM 0 HG3 GLN A 3 -2.894 -7.494 -10.838 1.00 31.23 H new ATOM 0 HE21 GLN A 3 -4.235 -5.130 -13.028 1.00 15.44 H new ATOM 0 HE22 GLN A 3 -5.712 -4.877 -12.092 1.00 15.44 H new ATOM 90 N VAL A 4 0.817 -5.635 -8.547 1.00 15.11 N ATOM 91 CA VAL A 4 1.987 -4.884 -8.087 1.00 21.25 C ATOM 92 C VAL A 4 3.067 -4.870 -9.174 1.00 0.04 C ATOM 93 O VAL A 4 3.483 -5.925 -9.661 1.00 62.43 O ATOM 94 CB VAL A 4 2.566 -5.466 -6.761 1.00 41.33 C ATOM 95 CG1 VAL A 4 3.617 -4.542 -6.155 1.00 50.31 C ATOM 96 CG2 VAL A 4 1.465 -5.737 -5.742 1.00 13.43 C ATOM 0 H VAL A 4 0.969 -6.641 -8.621 1.00 15.11 H new ATOM 0 HA VAL A 4 1.664 -3.863 -7.885 1.00 21.25 H new ATOM 0 HB VAL A 4 3.043 -6.412 -7.016 1.00 41.33 H new ATOM 0 HG11 VAL A 4 3.998 -4.980 -5.232 1.00 50.31 H new ATOM 0 HG12 VAL A 4 4.437 -4.412 -6.861 1.00 50.31 H new ATOM 0 HG13 VAL A 4 3.168 -3.573 -5.938 1.00 50.31 H new ATOM 0 HG21 VAL A 4 1.905 -6.142 -4.830 1.00 13.43 H new ATOM 0 HG22 VAL A 4 0.945 -4.807 -5.512 1.00 13.43 H new ATOM 0 HG23 VAL A 4 0.757 -6.456 -6.154 1.00 13.43 H new ATOM 106 N GLU A 5 3.505 -3.660 -9.537 1.00 43.11 N ATOM 107 CA GLU A 5 4.536 -3.472 -10.563 1.00 1.02 C ATOM 108 C GLU A 5 5.794 -2.883 -9.938 1.00 74.44 C ATOM 109 O GLU A 5 5.740 -1.827 -9.301 1.00 42.12 O ATOM 110 CB GLU A 5 4.052 -2.545 -11.702 1.00 22.54 C ATOM 111 CG GLU A 5 2.539 -2.408 -11.827 1.00 62.44 C ATOM 112 CD GLU A 5 2.123 -1.659 -13.078 1.00 45.30 C ATOM 113 OE1 GLU A 5 2.025 -0.416 -13.019 1.00 72.23 O ATOM 114 OE2 GLU A 5 1.896 -2.315 -14.116 1.00 20.43 O ATOM 0 H GLU A 5 3.158 -2.790 -9.132 1.00 43.11 H new ATOM 0 HA GLU A 5 4.753 -4.452 -10.989 1.00 1.02 H new ATOM 0 HB2 GLU A 5 4.479 -1.554 -11.549 1.00 22.54 H new ATOM 0 HB3 GLU A 5 4.446 -2.920 -12.647 1.00 22.54 H new ATOM 0 HG2 GLU A 5 2.087 -3.400 -11.835 1.00 62.44 H new ATOM 0 HG3 GLU A 5 2.151 -1.888 -10.951 1.00 62.44 H new ATOM 121 N THR A 6 6.928 -3.564 -10.141 1.00 42.11 N ATOM 122 CA THR A 6 8.218 -3.127 -9.596 1.00 74.15 C ATOM 123 C THR A 6 8.821 -2.008 -10.448 1.00 12.12 C ATOM 124 O THR A 6 8.953 -2.141 -11.669 1.00 51.21 O ATOM 125 CB THR A 6 9.214 -4.313 -9.493 1.00 0.24 C ATOM 126 OG1 THR A 6 8.556 -5.455 -8.929 1.00 2.23 O ATOM 127 CG2 THR A 6 10.435 -3.969 -8.635 1.00 50.35 C ATOM 0 H THR A 6 6.977 -4.427 -10.683 1.00 42.11 H new ATOM 0 HA THR A 6 8.036 -2.742 -8.593 1.00 74.15 H new ATOM 0 HB THR A 6 9.559 -4.532 -10.503 1.00 0.24 H new ATOM 0 HG1 THR A 6 9.189 -6.200 -8.868 1.00 2.23 H new ATOM 0 HG21 THR A 6 11.103 -4.829 -8.592 1.00 50.35 H new ATOM 0 HG22 THR A 6 10.962 -3.122 -9.075 1.00 50.35 H new ATOM 0 HG23 THR A 6 10.110 -3.711 -7.627 1.00 50.35 H new ATOM 135 N ILE A 7 9.180 -0.915 -9.776 1.00 11.44 N ATOM 136 CA ILE A 7 9.767 0.253 -10.434 1.00 72.43 C ATOM 137 C ILE A 7 11.251 0.373 -10.078 1.00 45.55 C ATOM 138 O ILE A 7 12.081 0.667 -10.943 1.00 31.04 O ATOM 139 CB ILE A 7 9.027 1.573 -10.058 1.00 21.20 C ATOM 140 CG1 ILE A 7 7.518 1.306 -9.871 1.00 42.50 C ATOM 141 CG2 ILE A 7 9.259 2.638 -11.137 1.00 0.24 C ATOM 142 CD1 ILE A 7 6.769 2.381 -9.097 1.00 14.43 C ATOM 0 H ILE A 7 9.073 -0.813 -8.767 1.00 11.44 H new ATOM 0 HA ILE A 7 9.658 0.105 -11.508 1.00 72.43 H new ATOM 0 HB ILE A 7 9.429 1.945 -9.116 1.00 21.20 H new ATOM 0 HG12 ILE A 7 7.058 1.199 -10.853 1.00 42.50 H new ATOM 0 HG13 ILE A 7 7.393 0.354 -9.355 1.00 42.50 H new ATOM 0 HG21 ILE A 7 8.737 3.554 -10.862 1.00 0.24 H new ATOM 0 HG22 ILE A 7 10.326 2.841 -11.224 1.00 0.24 H new ATOM 0 HG23 ILE A 7 8.879 2.277 -12.093 1.00 0.24 H new ATOM 0 HD11 ILE A 7 5.717 2.106 -9.017 1.00 14.43 H new ATOM 0 HD12 ILE A 7 7.196 2.475 -8.099 1.00 14.43 H new ATOM 0 HD13 ILE A 7 6.856 3.333 -9.620 1.00 14.43 H new ATOM 154 N SER A 8 11.566 0.141 -8.799 1.00 5.12 N ATOM 155 CA SER A 8 12.939 0.211 -8.310 1.00 32.42 C ATOM 156 C SER A 8 13.291 -1.057 -7.524 1.00 21.20 C ATOM 157 O SER A 8 12.652 -1.347 -6.507 1.00 31.34 O ATOM 158 CB SER A 8 13.130 1.448 -7.431 1.00 74.32 C ATOM 159 OG SER A 8 14.505 1.707 -7.200 1.00 64.33 O ATOM 0 H SER A 8 10.880 -0.098 -8.083 1.00 5.12 H new ATOM 0 HA SER A 8 13.607 0.287 -9.168 1.00 32.42 H new ATOM 0 HB2 SER A 8 12.670 2.312 -7.910 1.00 74.32 H new ATOM 0 HB3 SER A 8 12.620 1.303 -6.479 1.00 74.32 H new ATOM 0 HG SER A 8 14.598 2.504 -6.637 1.00 64.33 H new ATOM 165 N PRO A 9 14.312 -1.840 -7.981 1.00 51.01 N ATOM 166 CA PRO A 9 14.727 -3.084 -7.302 1.00 23.32 C ATOM 167 C PRO A 9 15.441 -2.840 -5.965 1.00 51.21 C ATOM 168 O PRO A 9 16.383 -2.044 -5.890 1.00 32.12 O ATOM 169 CB PRO A 9 15.670 -3.739 -8.317 1.00 21.35 C ATOM 170 CG PRO A 9 16.216 -2.614 -9.125 1.00 44.13 C ATOM 171 CD PRO A 9 15.125 -1.588 -9.201 1.00 61.42 C ATOM 0 HA PRO A 9 13.869 -3.700 -7.032 1.00 23.32 H new ATOM 0 HB2 PRO A 9 16.468 -4.288 -7.816 1.00 21.35 H new ATOM 0 HB3 PRO A 9 15.138 -4.453 -8.945 1.00 21.35 H new ATOM 0 HG2 PRO A 9 17.110 -2.198 -8.660 1.00 44.13 H new ATOM 0 HG3 PRO A 9 16.503 -2.953 -10.121 1.00 44.13 H new ATOM 0 HD2 PRO A 9 15.529 -0.576 -9.210 1.00 61.42 H new ATOM 0 HD3 PRO A 9 14.531 -1.703 -10.108 1.00 61.42 H new ATOM 179 N GLY A 10 14.973 -3.535 -4.922 1.00 11.52 N ATOM 180 CA GLY A 10 15.557 -3.405 -3.595 1.00 4.35 C ATOM 181 C GLY A 10 16.546 -4.516 -3.294 1.00 44.33 C ATOM 182 O GLY A 10 17.534 -4.676 -4.016 1.00 23.33 O ATOM 0 H GLY A 10 14.193 -4.190 -4.977 1.00 11.52 H new ATOM 0 HA2 GLY A 10 16.060 -2.441 -3.514 1.00 4.35 H new ATOM 0 HA3 GLY A 10 14.763 -3.415 -2.848 1.00 4.35 H new ATOM 186 N ASP A 11 16.281 -5.286 -2.227 1.00 12.02 N ATOM 187 CA ASP A 11 17.147 -6.404 -1.837 1.00 21.40 C ATOM 188 C ASP A 11 16.800 -7.669 -2.633 1.00 61.45 C ATOM 189 O ASP A 11 17.694 -8.351 -3.144 1.00 53.40 O ATOM 190 CB ASP A 11 17.032 -6.674 -0.333 1.00 15.33 C ATOM 191 CG ASP A 11 17.771 -5.646 0.501 1.00 54.04 C ATOM 192 OD1 ASP A 11 17.102 -4.828 1.166 1.00 2.54 O ATOM 193 OD2 ASP A 11 19.020 -5.659 0.488 1.00 3.25 O ATOM 0 H ASP A 11 15.472 -5.153 -1.620 1.00 12.02 H new ATOM 0 HA ASP A 11 18.177 -6.128 -2.064 1.00 21.40 H new ATOM 0 HB2 ASP A 11 15.980 -6.680 -0.048 1.00 15.33 H new ATOM 0 HB3 ASP A 11 17.427 -7.666 -0.114 1.00 15.33 H new ATOM 198 N GLY A 12 15.495 -7.966 -2.727 1.00 11.03 N ATOM 199 CA GLY A 12 15.023 -9.134 -3.470 1.00 21.20 C ATOM 200 C GLY A 12 15.018 -10.419 -2.652 1.00 63.51 C ATOM 201 O GLY A 12 14.618 -11.472 -3.156 1.00 45.41 O ATOM 0 H GLY A 12 14.753 -7.413 -2.298 1.00 11.03 H new ATOM 0 HA2 GLY A 12 14.013 -8.940 -3.831 1.00 21.20 H new ATOM 0 HA3 GLY A 12 15.654 -9.275 -4.348 1.00 21.20 H new ATOM 205 N ARG A 13 15.464 -10.328 -1.394 1.00 44.41 N ATOM 206 CA ARG A 13 15.526 -11.487 -0.493 1.00 43.15 C ATOM 207 C ARG A 13 15.022 -11.141 0.918 1.00 71.41 C ATOM 208 O ARG A 13 15.012 -12.000 1.807 1.00 75.24 O ATOM 209 CB ARG A 13 16.964 -12.058 -0.437 1.00 13.14 C ATOM 210 CG ARG A 13 18.059 -11.030 -0.142 1.00 22.33 C ATOM 211 CD ARG A 13 19.446 -11.636 -0.282 1.00 60.10 C ATOM 212 NE ARG A 13 20.504 -10.659 -0.001 1.00 42.52 N ATOM 213 CZ ARG A 13 21.817 -10.928 -0.024 1.00 33.40 C ATOM 214 NH1 ARG A 13 22.267 -12.147 -0.315 1.00 20.42 N ATOM 215 NH2 ARG A 13 22.687 -9.964 0.247 1.00 61.14 N ATOM 0 H ARG A 13 15.790 -9.458 -0.974 1.00 44.41 H new ATOM 0 HA ARG A 13 14.863 -12.252 -0.897 1.00 43.15 H new ATOM 0 HB2 ARG A 13 17.001 -12.834 0.327 1.00 13.14 H new ATOM 0 HB3 ARG A 13 17.185 -12.538 -1.390 1.00 13.14 H new ATOM 0 HG2 ARG A 13 17.960 -10.185 -0.824 1.00 22.33 H new ATOM 0 HG3 ARG A 13 17.931 -10.641 0.868 1.00 22.33 H new ATOM 0 HD2 ARG A 13 19.543 -12.481 0.400 1.00 60.10 H new ATOM 0 HD3 ARG A 13 19.571 -12.025 -1.292 1.00 60.10 H new ATOM 0 HE ARG A 13 20.220 -9.707 0.228 1.00 42.52 H new ATOM 0 HH11 ARG A 13 21.608 -12.897 -0.526 1.00 20.42 H new ATOM 0 HH12 ARG A 13 23.270 -12.331 -0.327 1.00 20.42 H new ATOM 0 HH21 ARG A 13 22.355 -9.026 0.471 1.00 61.14 H new ATOM 0 HH22 ARG A 13 23.688 -10.161 0.232 1.00 61.14 H new ATOM 229 N THR A 14 14.595 -9.886 1.108 1.00 42.14 N ATOM 230 CA THR A 14 14.103 -9.424 2.400 1.00 3.41 C ATOM 231 C THR A 14 12.667 -8.902 2.266 1.00 32.20 C ATOM 232 O THR A 14 12.442 -7.730 1.944 1.00 15.22 O ATOM 233 CB THR A 14 15.030 -8.328 2.985 1.00 43.13 C ATOM 234 OG1 THR A 14 16.402 -8.645 2.715 1.00 71.40 O ATOM 235 CG2 THR A 14 14.842 -8.180 4.490 1.00 52.24 C ATOM 0 H THR A 14 14.583 -9.175 0.377 1.00 42.14 H new ATOM 0 HA THR A 14 14.104 -10.268 3.089 1.00 3.41 H new ATOM 0 HB THR A 14 14.763 -7.386 2.507 1.00 43.13 H new ATOM 0 HG1 THR A 14 16.979 -7.946 3.087 1.00 71.40 H new ATOM 0 HG21 THR A 14 15.508 -7.403 4.865 1.00 52.24 H new ATOM 0 HG22 THR A 14 13.809 -7.906 4.702 1.00 52.24 H new ATOM 0 HG23 THR A 14 15.075 -9.125 4.980 1.00 52.24 H new ATOM 243 N PHE A 15 11.706 -9.796 2.499 1.00 33.20 N ATOM 244 CA PHE A 15 10.287 -9.454 2.415 1.00 11.33 C ATOM 245 C PHE A 15 9.679 -9.293 3.812 1.00 41.44 C ATOM 246 O PHE A 15 10.125 -9.953 4.755 1.00 72.11 O ATOM 247 CB PHE A 15 9.518 -10.530 1.642 1.00 23.11 C ATOM 248 CG PHE A 15 9.938 -10.671 0.203 1.00 12.42 C ATOM 249 CD1 PHE A 15 11.072 -11.393 -0.136 1.00 65.13 C ATOM 250 CD2 PHE A 15 9.197 -10.080 -0.806 1.00 33.25 C ATOM 251 CE1 PHE A 15 11.459 -11.522 -1.455 1.00 21.24 C ATOM 252 CE2 PHE A 15 9.579 -10.206 -2.129 1.00 12.41 C ATOM 253 CZ PHE A 15 10.711 -10.927 -2.453 1.00 50.43 C ATOM 0 H PHE A 15 11.887 -10.768 2.749 1.00 33.20 H new ATOM 0 HA PHE A 15 10.205 -8.505 1.885 1.00 11.33 H new ATOM 0 HB2 PHE A 15 9.652 -11.488 2.144 1.00 23.11 H new ATOM 0 HB3 PHE A 15 8.454 -10.297 1.678 1.00 23.11 H new ATOM 0 HD1 PHE A 15 11.659 -11.860 0.641 1.00 65.13 H new ATOM 0 HD2 PHE A 15 8.311 -9.515 -0.557 1.00 33.25 H new ATOM 0 HE1 PHE A 15 12.345 -12.087 -1.706 1.00 21.24 H new ATOM 0 HE2 PHE A 15 8.993 -9.741 -2.908 1.00 12.41 H new ATOM 0 HZ PHE A 15 11.012 -11.026 -3.486 1.00 50.43 H new ATOM 263 N PRO A 16 8.645 -8.410 3.972 1.00 13.34 N ATOM 264 CA PRO A 16 7.987 -8.188 5.274 1.00 31.25 C ATOM 265 C PRO A 16 7.221 -9.420 5.772 1.00 31.31 C ATOM 266 O PRO A 16 6.342 -9.945 5.079 1.00 15.10 O ATOM 267 CB PRO A 16 7.030 -7.012 5.021 1.00 64.23 C ATOM 268 CG PRO A 16 6.860 -6.920 3.538 1.00 2.14 C ATOM 269 CD PRO A 16 8.070 -7.554 2.907 1.00 35.24 C ATOM 0 HA PRO A 16 8.719 -7.984 6.056 1.00 31.25 H new ATOM 0 HB2 PRO A 16 6.071 -7.178 5.513 1.00 64.23 H new ATOM 0 HB3 PRO A 16 7.438 -6.085 5.424 1.00 64.23 H new ATOM 0 HG2 PRO A 16 5.950 -7.432 3.223 1.00 2.14 H new ATOM 0 HG3 PRO A 16 6.765 -5.880 3.226 1.00 2.14 H new ATOM 0 HD2 PRO A 16 7.797 -8.142 2.031 1.00 35.24 H new ATOM 0 HD3 PRO A 16 8.785 -6.800 2.576 1.00 35.24 H new HETATM 277 N MLY A 17 7.581 -9.870 6.980 1.00 65.54 N HETATM 278 CA MLY A 17 6.966 -11.047 7.606 1.00 1.40 C HETATM 279 CB MLY A 17 7.987 -11.761 8.506 1.00 3.13 C HETATM 280 CG MLY A 17 9.252 -12.205 7.780 1.00 4.51 C HETATM 281 CD MLY A 17 10.158 -13.035 8.679 1.00 62.24 C HETATM 282 CE MLY A 17 11.388 -12.248 9.111 1.00 72.30 C HETATM 283 NZ MLY A 17 12.049 -12.931 10.237 1.00 51.13 N HETATM 284 CH1 MLY A 17 12.075 -12.040 11.408 1.00 21.43 C HETATM 285 CH2 MLY A 17 13.427 -13.281 9.860 1.00 4.23 C HETATM 286 C MLY A 17 5.729 -10.666 8.419 1.00 62.13 C HETATM 287 O MLY A 17 5.555 -9.505 8.801 1.00 41.31 O HETATM 0 HH23 MLY A 17 13.410 -13.943 8.994 1.00 4.23 H new HETATM 0 HH22 MLY A 17 13.978 -12.374 9.613 1.00 4.23 H new HETATM 0 HH21 MLY A 17 13.915 -13.786 10.693 1.00 4.23 H new HETATM 0 HH13 MLY A 17 12.625 -11.132 11.162 1.00 21.43 H new HETATM 0 HH12 MLY A 17 11.055 -11.781 11.691 1.00 21.43 H new HETATM 0 HH11 MLY A 17 12.564 -12.547 12.240 1.00 21.43 H new HETATM 0 HG3 MLY A 17 8.980 -12.788 6.900 1.00 4.51 H new HETATM 0 HG2 MLY A 17 9.795 -11.328 7.427 1.00 4.51 H new HETATM 0 HE3 MLY A 17 12.081 -12.151 8.275 1.00 72.30 H new HETATM 0 HE2 MLY A 17 11.100 -11.239 9.405 1.00 72.30 H new HETATM 0 HD3 MLY A 17 9.602 -13.356 9.560 1.00 62.24 H new HETATM 0 HD2 MLY A 17 10.469 -13.937 8.151 1.00 62.24 H new HETATM 0 HB3 MLY A 17 8.264 -11.094 9.323 1.00 3.13 H new HETATM 0 HB2 MLY A 17 7.513 -12.634 8.954 1.00 3.13 H new HETATM 0 HA MLY A 17 6.651 -11.722 6.810 1.00 1.40 H new HETATM 0 H MLY A 17 8.555 -9.639 7.175 1.00 65.54 H new ATOM 304 N ARG A 18 4.876 -11.668 8.676 1.00 75.42 N ATOM 305 CA ARG A 18 3.637 -11.488 9.432 1.00 34.53 C ATOM 306 C ARG A 18 3.912 -11.391 10.941 1.00 50.25 C ATOM 307 O ARG A 18 4.539 -12.282 11.524 1.00 2.04 O ATOM 308 CB ARG A 18 2.694 -12.658 9.120 1.00 61.11 C ATOM 309 CG ARG A 18 1.233 -12.421 9.495 1.00 12.50 C ATOM 310 CD ARG A 18 0.362 -13.609 9.115 1.00 23.10 C ATOM 311 NE ARG A 18 0.520 -14.735 10.044 1.00 72.31 N ATOM 312 CZ ARG A 18 -0.142 -15.898 9.955 1.00 24.01 C ATOM 313 NH1 ARG A 18 -1.023 -16.116 8.980 1.00 2.12 N ATOM 314 NH2 ARG A 18 0.080 -16.849 10.852 1.00 35.44 N ATOM 0 H ARG A 18 5.030 -12.627 8.363 1.00 75.42 H new ATOM 0 HA ARG A 18 3.168 -10.551 9.134 1.00 34.53 H new ATOM 0 HB2 ARG A 18 2.750 -12.877 8.054 1.00 61.11 H new ATOM 0 HB3 ARG A 18 3.050 -13.544 9.646 1.00 61.11 H new ATOM 0 HG2 ARG A 18 1.156 -12.240 10.567 1.00 12.50 H new ATOM 0 HG3 ARG A 18 0.868 -11.525 8.993 1.00 12.50 H new ATOM 0 HD2 ARG A 18 -0.683 -13.300 9.097 1.00 23.10 H new ATOM 0 HD3 ARG A 18 0.616 -13.935 8.106 1.00 23.10 H new ATOM 0 HE ARG A 18 1.181 -14.625 10.813 1.00 72.31 H new ATOM 0 HH11 ARG A 18 -1.204 -15.392 8.285 1.00 2.12 H new ATOM 0 HH12 ARG A 18 -1.517 -17.007 8.929 1.00 2.12 H new ATOM 0 HH21 ARG A 18 0.751 -16.694 11.604 1.00 35.44 H new ATOM 0 HH22 ARG A 18 -0.420 -17.736 10.790 1.00 35.44 H new ATOM 328 N GLY A 19 3.435 -10.299 11.550 1.00 24.02 N ATOM 329 CA GLY A 19 3.624 -10.083 12.979 1.00 64.12 C ATOM 330 C GLY A 19 4.503 -8.883 13.291 1.00 64.12 C ATOM 331 O GLY A 19 4.370 -8.279 14.360 1.00 0.22 O ATOM 0 H GLY A 19 2.919 -9.559 11.074 1.00 24.02 H new ATOM 0 HA2 GLY A 19 2.651 -9.945 13.451 1.00 64.12 H new ATOM 0 HA3 GLY A 19 4.069 -10.975 13.419 1.00 64.12 H new ATOM 335 N GLN A 20 5.399 -8.541 12.359 1.00 1.30 N ATOM 336 CA GLN A 20 6.315 -7.408 12.527 1.00 31.02 C ATOM 337 C GLN A 20 5.794 -6.171 11.792 1.00 45.43 C ATOM 338 O GLN A 20 4.962 -6.285 10.886 1.00 32.11 O ATOM 339 CB GLN A 20 7.738 -7.769 12.046 1.00 72.14 C ATOM 340 CG GLN A 20 7.793 -8.631 10.785 1.00 0.44 C ATOM 341 CD GLN A 20 8.895 -8.206 9.841 1.00 23.22 C ATOM 342 OE1 GLN A 20 8.572 -7.289 8.941 1.00 53.30 O flip ATOM 343 NE2 GLN A 20 10.022 -8.695 9.920 1.00 33.54 N flip ATOM 0 H GLN A 20 5.509 -9.037 11.474 1.00 1.30 H new ATOM 0 HA GLN A 20 6.367 -7.176 13.591 1.00 31.02 H new ATOM 0 HB2 GLN A 20 8.288 -6.846 11.862 1.00 72.14 H new ATOM 0 HB3 GLN A 20 8.255 -8.293 12.850 1.00 72.14 H new ATOM 0 HG2 GLN A 20 7.943 -9.673 11.067 1.00 0.44 H new ATOM 0 HG3 GLN A 20 6.835 -8.575 10.268 1.00 0.44 H new ATOM 0 HE21 GLN A 20 10.224 -9.399 10.630 1.00 33.54 H new ATOM 0 HE22 GLN A 20 10.754 -8.396 9.275 1.00 33.54 H new ATOM 352 N THR A 21 6.294 -4.992 12.190 1.00 41.53 N ATOM 353 CA THR A 21 5.882 -3.722 11.584 1.00 5.30 C ATOM 354 C THR A 21 6.667 -3.437 10.301 1.00 73.13 C ATOM 355 O THR A 21 7.849 -3.775 10.196 1.00 42.40 O ATOM 356 CB THR A 21 6.055 -2.532 12.560 1.00 62.42 C ATOM 357 OG1 THR A 21 6.029 -2.989 13.920 1.00 0.54 O ATOM 358 CG2 THR A 21 4.953 -1.497 12.361 1.00 71.14 C ATOM 0 H THR A 21 6.987 -4.894 12.932 1.00 41.53 H new ATOM 0 HA THR A 21 4.824 -3.825 11.344 1.00 5.30 H new ATOM 0 HB THR A 21 7.019 -2.070 12.348 1.00 62.42 H new ATOM 0 HG1 THR A 21 5.273 -3.600 14.045 1.00 0.54 H new ATOM 0 HG21 THR A 21 5.098 -0.672 13.059 1.00 71.14 H new ATOM 0 HG22 THR A 21 4.989 -1.119 11.339 1.00 71.14 H new ATOM 0 HG23 THR A 21 3.983 -1.959 12.543 1.00 71.14 H new ATOM 366 N CYS A 22 5.984 -2.814 9.337 1.00 42.51 N ATOM 367 CA CYS A 22 6.577 -2.472 8.051 1.00 32.11 C ATOM 368 C CYS A 22 6.515 -0.965 7.821 1.00 1.42 C ATOM 369 O CYS A 22 5.428 -0.381 7.734 1.00 21.41 O ATOM 370 CB CYS A 22 5.857 -3.211 6.918 1.00 52.32 C ATOM 371 SG CYS A 22 6.650 -3.041 5.302 1.00 70.12 S ATOM 0 H CYS A 22 5.007 -2.535 9.430 1.00 42.51 H new ATOM 0 HA CYS A 22 7.622 -2.780 8.059 1.00 32.11 H new ATOM 0 HB2 CYS A 22 5.796 -4.270 7.171 1.00 52.32 H new ATOM 0 HB3 CYS A 22 4.834 -2.840 6.849 1.00 52.32 H new ATOM 0 HG CYS A 22 5.969 -3.702 4.413 1.00 70.12 H new ATOM 377 N VAL A 23 7.694 -0.346 7.738 1.00 22.12 N ATOM 378 CA VAL A 23 7.810 1.099 7.510 1.00 41.54 C ATOM 379 C VAL A 23 7.885 1.376 6.007 1.00 42.33 C ATOM 380 O VAL A 23 8.882 1.044 5.355 1.00 53.12 O ATOM 381 CB VAL A 23 9.057 1.708 8.220 1.00 23.33 C ATOM 382 CG1 VAL A 23 9.017 3.234 8.204 1.00 63.04 C ATOM 383 CG2 VAL A 23 9.198 1.180 9.645 1.00 4.23 C ATOM 0 H VAL A 23 8.590 -0.826 7.826 1.00 22.12 H new ATOM 0 HA VAL A 23 6.926 1.573 7.936 1.00 41.54 H new ATOM 0 HB VAL A 23 9.937 1.393 7.659 1.00 23.33 H new ATOM 0 HG11 VAL A 23 9.901 3.626 8.707 1.00 63.04 H new ATOM 0 HG12 VAL A 23 9.000 3.587 7.173 1.00 63.04 H new ATOM 0 HG13 VAL A 23 8.122 3.580 8.721 1.00 63.04 H new ATOM 0 HG21 VAL A 23 10.077 1.624 10.112 1.00 4.23 H new ATOM 0 HG22 VAL A 23 8.310 1.443 10.220 1.00 4.23 H new ATOM 0 HG23 VAL A 23 9.308 0.096 9.622 1.00 4.23 H new ATOM 393 N VAL A 24 6.820 1.977 5.466 1.00 14.00 N ATOM 394 CA VAL A 24 6.751 2.287 4.034 1.00 22.54 C ATOM 395 C VAL A 24 5.966 3.574 3.774 1.00 24.45 C ATOM 396 O VAL A 24 5.077 3.940 4.547 1.00 4.04 O ATOM 397 CB VAL A 24 6.126 1.123 3.186 1.00 30.52 C ATOM 398 CG1 VAL A 24 7.007 -0.117 3.204 1.00 13.53 C ATOM 399 CG2 VAL A 24 4.724 0.746 3.654 1.00 42.42 C ATOM 0 H VAL A 24 5.996 2.258 5.997 1.00 14.00 H new ATOM 0 HA VAL A 24 7.785 2.420 3.716 1.00 22.54 H new ATOM 0 HB VAL A 24 6.057 1.504 2.167 1.00 30.52 H new ATOM 0 HG11 VAL A 24 6.543 -0.902 2.607 1.00 13.53 H new ATOM 0 HG12 VAL A 24 7.985 0.125 2.788 1.00 13.53 H new ATOM 0 HG13 VAL A 24 7.126 -0.464 4.230 1.00 13.53 H new ATOM 0 HG21 VAL A 24 4.339 -0.063 3.034 1.00 42.42 H new ATOM 0 HG22 VAL A 24 4.763 0.420 4.693 1.00 42.42 H new ATOM 0 HG23 VAL A 24 4.067 1.612 3.570 1.00 42.42 H new ATOM 409 N HIS A 25 6.313 4.239 2.674 1.00 54.10 N ATOM 410 CA HIS A 25 5.650 5.469 2.253 1.00 74.10 C ATOM 411 C HIS A 25 4.686 5.149 1.111 1.00 33.22 C ATOM 412 O HIS A 25 5.090 4.564 0.101 1.00 41.11 O ATOM 413 CB HIS A 25 6.700 6.489 1.809 1.00 2.24 C ATOM 414 CG HIS A 25 7.106 7.453 2.882 1.00 65.32 C ATOM 415 ND1 HIS A 25 8.300 7.613 3.513 1.00 75.02 N flip ATOM 416 CD2 HIS A 25 6.263 8.395 3.425 1.00 75.31 C flip ATOM 417 CE1 HIS A 25 8.194 8.646 4.436 1.00 31.32 C flip ATOM 418 NE2 HIS A 25 6.954 9.081 4.345 1.00 4.31 N flip ATOM 0 H HIS A 25 7.062 3.939 2.050 1.00 54.10 H new ATOM 0 HA HIS A 25 5.085 5.896 3.082 1.00 74.10 H new ATOM 0 HB2 HIS A 25 7.585 5.956 1.460 1.00 2.24 H new ATOM 0 HB3 HIS A 25 6.310 7.050 0.960 1.00 2.24 H new ATOM 0 HD2 HIS A 25 5.229 8.553 3.157 1.00 75.31 H new ATOM 0 HE1 HIS A 25 8.968 9.016 5.092 1.00 31.32 H new ATOM 0 HE2 HIS A 25 6.569 9.843 4.904 1.00 4.31 H new ATOM 426 N TYR A 26 3.414 5.528 1.278 1.00 62.35 N ATOM 427 CA TYR A 26 2.391 5.245 0.268 1.00 21.44 C ATOM 428 C TYR A 26 1.812 6.515 -0.363 1.00 74.34 C ATOM 429 O TYR A 26 2.005 7.624 0.143 1.00 64.11 O ATOM 430 CB TYR A 26 1.272 4.374 0.881 1.00 4.12 C ATOM 431 CG TYR A 26 0.395 5.068 1.909 1.00 41.22 C ATOM 432 CD1 TYR A 26 -0.733 5.775 1.514 1.00 24.15 C ATOM 433 CD2 TYR A 26 0.694 5.010 3.262 1.00 5.22 C ATOM 434 CE1 TYR A 26 -1.540 6.406 2.437 1.00 73.10 C ATOM 435 CE2 TYR A 26 -0.111 5.639 4.194 1.00 12.01 C ATOM 436 CZ TYR A 26 -1.225 6.335 3.777 1.00 12.10 C ATOM 437 OH TYR A 26 -2.027 6.961 4.704 1.00 1.22 O ATOM 0 H TYR A 26 3.071 6.028 2.098 1.00 62.35 H new ATOM 0 HA TYR A 26 2.875 4.696 -0.540 1.00 21.44 H new ATOM 0 HB2 TYR A 26 0.637 4.008 0.074 1.00 4.12 H new ATOM 0 HB3 TYR A 26 1.729 3.501 1.348 1.00 4.12 H new ATOM 0 HD1 TYR A 26 -0.983 5.832 0.465 1.00 24.15 H new ATOM 0 HD2 TYR A 26 1.567 4.466 3.592 1.00 5.22 H new ATOM 0 HE1 TYR A 26 -2.413 6.952 2.112 1.00 73.10 H new ATOM 0 HE2 TYR A 26 0.132 5.585 5.245 1.00 12.01 H new ATOM 0 HH TYR A 26 -2.329 7.822 4.347 1.00 1.22 H new ATOM 447 N THR A 27 1.099 6.314 -1.480 1.00 54.44 N ATOM 448 CA THR A 27 0.445 7.390 -2.217 1.00 13.54 C ATOM 449 C THR A 27 -0.824 6.849 -2.885 1.00 42.43 C ATOM 450 O THR A 27 -0.747 6.023 -3.802 1.00 34.01 O ATOM 451 CB THR A 27 1.387 8.007 -3.289 1.00 41.24 C ATOM 452 OG1 THR A 27 2.716 8.132 -2.767 1.00 5.33 O ATOM 453 CG2 THR A 27 0.899 9.380 -3.739 1.00 10.41 C ATOM 0 H THR A 27 0.963 5.392 -1.895 1.00 54.44 H new ATOM 0 HA THR A 27 0.188 8.180 -1.511 1.00 13.54 H new ATOM 0 HB THR A 27 1.385 7.337 -4.149 1.00 41.24 H new ATOM 0 HG1 THR A 27 3.301 8.520 -3.451 1.00 5.33 H new ATOM 0 HG21 THR A 27 1.581 9.781 -4.488 1.00 10.41 H new ATOM 0 HG22 THR A 27 -0.099 9.289 -4.169 1.00 10.41 H new ATOM 0 HG23 THR A 27 0.865 10.053 -2.882 1.00 10.41 H new ATOM 461 N GLY A 28 -1.983 7.315 -2.408 1.00 62.24 N ATOM 462 CA GLY A 28 -3.259 6.867 -2.956 1.00 22.33 C ATOM 463 C GLY A 28 -3.813 7.813 -4.008 1.00 23.41 C ATOM 464 O GLY A 28 -4.069 8.986 -3.725 1.00 74.50 O ATOM 0 H GLY A 28 -2.060 7.995 -1.652 1.00 62.24 H new ATOM 0 HA2 GLY A 28 -3.133 5.877 -3.394 1.00 22.33 H new ATOM 0 HA3 GLY A 28 -3.982 6.768 -2.146 1.00 22.33 H new ATOM 468 N MET A 29 -4.001 7.283 -5.220 1.00 72.23 N ATOM 469 CA MET A 29 -4.515 8.053 -6.356 1.00 35.31 C ATOM 470 C MET A 29 -5.671 7.331 -7.029 1.00 35.15 C ATOM 471 O MET A 29 -5.579 6.136 -7.327 1.00 40.34 O ATOM 472 CB MET A 29 -3.398 8.296 -7.376 1.00 63.22 C ATOM 473 CG MET A 29 -2.354 9.309 -6.933 1.00 23.45 C ATOM 474 SD MET A 29 -0.842 9.243 -7.923 1.00 60.11 S ATOM 475 CE MET A 29 -0.053 7.760 -7.288 1.00 24.43 C ATOM 0 H MET A 29 -3.801 6.308 -5.441 1.00 72.23 H new ATOM 0 HA MET A 29 -4.878 9.009 -5.978 1.00 35.31 H new ATOM 0 HB2 MET A 29 -2.902 7.349 -7.586 1.00 63.22 H new ATOM 0 HB3 MET A 29 -3.844 8.636 -8.311 1.00 63.22 H new ATOM 0 HG2 MET A 29 -2.779 10.311 -6.995 1.00 23.45 H new ATOM 0 HG3 MET A 29 -2.105 9.132 -5.887 1.00 23.45 H new ATOM 0 HE1 MET A 29 0.969 7.703 -7.662 1.00 24.43 H new ATOM 0 HE2 MET A 29 -0.039 7.793 -6.199 1.00 24.43 H new ATOM 0 HE3 MET A 29 -0.610 6.882 -7.617 1.00 24.43 H new ATOM 485 N LEU A 30 -6.765 8.074 -7.262 1.00 40.05 N ATOM 486 CA LEU A 30 -7.965 7.544 -7.930 1.00 32.04 C ATOM 487 C LEU A 30 -7.647 6.983 -9.325 1.00 0.41 C ATOM 488 O LEU A 30 -6.536 7.162 -9.834 1.00 4.33 O ATOM 489 CB LEU A 30 -9.022 8.655 -8.056 1.00 20.24 C ATOM 490 CG LEU A 30 -9.963 8.822 -6.860 1.00 42.34 C ATOM 491 CD1 LEU A 30 -10.591 10.206 -6.867 1.00 34.14 C ATOM 492 CD2 LEU A 30 -11.048 7.751 -6.870 1.00 0.13 C ATOM 0 H LEU A 30 -6.843 9.055 -6.994 1.00 40.05 H new ATOM 0 HA LEU A 30 -8.347 6.726 -7.319 1.00 32.04 H new ATOM 0 HB2 LEU A 30 -8.508 9.601 -8.224 1.00 20.24 H new ATOM 0 HB3 LEU A 30 -9.624 8.458 -8.943 1.00 20.24 H new ATOM 0 HG LEU A 30 -9.376 8.708 -5.949 1.00 42.34 H new ATOM 0 HD11 LEU A 30 -11.257 10.308 -6.010 1.00 34.14 H new ATOM 0 HD12 LEU A 30 -9.807 10.961 -6.809 1.00 34.14 H new ATOM 0 HD13 LEU A 30 -11.160 10.343 -7.787 1.00 34.14 H new ATOM 0 HD21 LEU A 30 -11.704 7.890 -6.011 1.00 0.13 H new ATOM 0 HD22 LEU A 30 -11.630 7.831 -7.788 1.00 0.13 H new ATOM 0 HD23 LEU A 30 -10.586 6.765 -6.818 1.00 0.13 H new ATOM 504 N GLU A 31 -8.637 6.306 -9.938 1.00 10.33 N ATOM 505 CA GLU A 31 -8.498 5.721 -11.279 1.00 40.43 C ATOM 506 C GLU A 31 -8.099 6.771 -12.328 1.00 13.34 C ATOM 507 O GLU A 31 -7.488 6.439 -13.348 1.00 3.22 O ATOM 508 CB GLU A 31 -9.814 5.059 -11.682 1.00 23.24 C ATOM 509 CG GLU A 31 -9.622 3.774 -12.458 1.00 62.31 C ATOM 510 CD GLU A 31 -10.933 3.116 -12.840 1.00 4.43 C ATOM 511 OE1 GLU A 31 -11.436 2.291 -12.050 1.00 71.15 O ATOM 512 OE2 GLU A 31 -11.457 3.427 -13.931 1.00 72.00 O ATOM 0 H GLU A 31 -9.553 6.151 -9.516 1.00 10.33 H new ATOM 0 HA GLU A 31 -7.700 4.979 -11.240 1.00 40.43 H new ATOM 0 HB2 GLU A 31 -10.398 4.851 -10.785 1.00 23.24 H new ATOM 0 HB3 GLU A 31 -10.394 5.757 -12.285 1.00 23.24 H new ATOM 0 HG2 GLU A 31 -9.049 3.983 -13.361 1.00 62.31 H new ATOM 0 HG3 GLU A 31 -9.033 3.079 -11.860 1.00 62.31 H new ATOM 519 N ASP A 32 -8.457 8.031 -12.055 1.00 34.23 N ATOM 520 CA ASP A 32 -8.141 9.149 -12.939 1.00 2.24 C ATOM 521 C ASP A 32 -6.780 9.775 -12.601 1.00 23.33 C ATOM 522 O ASP A 32 -6.216 10.501 -13.426 1.00 53.30 O ATOM 523 CB ASP A 32 -9.236 10.212 -12.846 1.00 52.51 C ATOM 524 CG ASP A 32 -10.511 9.799 -13.556 1.00 32.21 C ATOM 525 OD1 ASP A 32 -10.643 10.097 -14.762 1.00 41.21 O ATOM 526 OD2 ASP A 32 -11.378 9.177 -12.906 1.00 44.13 O ATOM 0 H ASP A 32 -8.972 8.299 -11.217 1.00 34.23 H new ATOM 0 HA ASP A 32 -8.088 8.762 -13.957 1.00 2.24 H new ATOM 0 HB2 ASP A 32 -9.456 10.411 -11.797 1.00 52.51 H new ATOM 0 HB3 ASP A 32 -8.870 11.144 -13.277 1.00 52.51 H new ATOM 531 N GLY A 33 -6.258 9.494 -11.392 1.00 51.42 N ATOM 532 CA GLY A 33 -4.961 10.030 -10.995 1.00 4.22 C ATOM 533 C GLY A 33 -5.058 11.146 -9.971 1.00 24.43 C ATOM 534 O GLY A 33 -4.075 11.857 -9.738 1.00 35.01 O ATOM 0 H GLY A 33 -6.712 8.909 -10.691 1.00 51.42 H new ATOM 0 HA2 GLY A 33 -4.353 9.223 -10.586 1.00 4.22 H new ATOM 0 HA3 GLY A 33 -4.444 10.402 -11.879 1.00 4.22 H new HETATM 538 N MLY A 34 -6.240 11.302 -9.359 1.00 33.34 N HETATM 539 CA MLY A 34 -6.460 12.334 -8.347 1.00 10.41 C HETATM 540 CB MLY A 34 -7.901 12.856 -8.411 1.00 31.10 C HETATM 541 CG MLY A 34 -8.156 13.808 -9.572 1.00 32.53 C HETATM 542 CD MLY A 34 -8.109 15.260 -9.124 1.00 45.44 C HETATM 543 CE MLY A 34 -8.353 16.211 -10.287 1.00 24.42 C HETATM 544 NZ MLY A 34 -8.199 17.605 -9.836 1.00 25.53 N HETATM 545 CH1 MLY A 34 -9.459 18.335 -10.048 1.00 63.25 C HETATM 546 CH2 MLY A 34 -7.124 18.255 -10.603 1.00 35.50 C HETATM 547 C MLY A 34 -6.159 11.771 -6.962 1.00 13.44 C HETATM 548 O MLY A 34 -6.823 10.831 -6.509 1.00 42.22 O HETATM 0 HH23 MLY A 34 -6.189 17.718 -10.446 1.00 35.50 H new HETATM 0 HH22 MLY A 34 -7.375 18.243 -11.664 1.00 35.50 H new HETATM 0 HH21 MLY A 34 -7.011 19.286 -10.269 1.00 35.50 H new HETATM 0 HH13 MLY A 34 -9.712 18.324 -11.108 1.00 63.25 H new HETATM 0 HH12 MLY A 34 -10.257 17.857 -9.479 1.00 63.25 H new HETATM 0 HH11 MLY A 34 -9.343 19.366 -9.714 1.00 63.25 H new HETATM 0 HG3 MLY A 34 -7.411 13.642 -10.350 1.00 32.53 H new HETATM 0 HG2 MLY A 34 -9.130 13.594 -10.012 1.00 32.53 H new HETATM 0 HE3 MLY A 34 -7.650 16.001 -11.093 1.00 24.42 H new HETATM 0 HE2 MLY A 34 -9.355 16.058 -10.689 1.00 24.42 H new HETATM 0 HD3 MLY A 34 -8.860 15.428 -8.352 1.00 45.44 H new HETATM 0 HD2 MLY A 34 -7.138 15.472 -8.676 1.00 45.44 H new HETATM 0 HB3 MLY A 34 -8.582 12.009 -8.491 1.00 31.10 H new HETATM 0 HB2 MLY A 34 -8.135 13.366 -7.476 1.00 31.10 H new HETATM 0 HA MLY A 34 -5.788 13.169 -8.545 1.00 10.41 H new HETATM 0 H MLY A 34 -7.000 11.028 -9.982 1.00 33.34 H new HETATM 565 N MLY A 35 -5.144 12.342 -6.295 1.00 11.11 N HETATM 566 CA MLY A 35 -4.738 11.886 -4.966 1.00 61.33 C HETATM 567 CB MLY A 35 -3.451 12.557 -4.516 1.00 75.25 C HETATM 568 CG MLY A 35 -2.448 11.560 -3.976 1.00 53.41 C HETATM 569 CD MLY A 35 -1.399 12.225 -3.100 1.00 45.12 C HETATM 570 CE MLY A 35 -0.196 12.642 -3.920 1.00 62.43 C HETATM 571 NZ MLY A 35 0.798 13.334 -3.076 1.00 22.02 N HETATM 572 CH1 MLY A 35 0.930 14.733 -3.516 1.00 0.41 C HETATM 573 CH2 MLY A 35 2.105 12.667 -3.194 1.00 55.25 C HETATM 574 C MLY A 35 -5.804 12.110 -3.914 1.00 41.14 C HETATM 575 O MLY A 35 -6.562 13.084 -3.965 1.00 10.14 O HETATM 0 HH23 MLY A 35 2.015 11.631 -2.868 1.00 55.25 H new HETATM 0 HH22 MLY A 35 2.434 12.693 -4.233 1.00 55.25 H new HETATM 0 HH21 MLY A 35 2.834 13.182 -2.569 1.00 55.25 H new HETATM 0 HH13 MLY A 35 1.257 14.758 -4.555 1.00 0.41 H new HETATM 0 HH12 MLY A 35 -0.033 15.235 -3.427 1.00 0.41 H new HETATM 0 HH11 MLY A 35 1.664 15.243 -2.892 1.00 0.41 H new HETATM 0 HG3 MLY A 35 -2.970 10.796 -3.400 1.00 53.41 H new HETATM 0 HG2 MLY A 35 -1.958 11.053 -4.807 1.00 53.41 H new HETATM 0 HE3 MLY A 35 0.258 11.764 -4.380 1.00 62.43 H new HETATM 0 HE2 MLY A 35 -0.512 13.299 -4.730 1.00 62.43 H new HETATM 0 HD3 MLY A 35 -1.830 13.098 -2.609 1.00 45.12 H new HETATM 0 HD2 MLY A 35 -1.087 11.538 -2.313 1.00 45.12 H new HETATM 0 HB3 MLY A 35 -3.011 13.095 -5.355 1.00 75.25 H new HETATM 0 HB2 MLY A 35 -3.677 13.296 -3.747 1.00 75.25 H new HETATM 0 HA MLY A 35 -4.578 10.812 -5.064 1.00 61.33 H new HETATM 0 H MLY A 35 -4.578 13.029 -6.794 1.00 11.11 H new ATOM 592 N PHE A 36 -5.839 11.183 -2.963 1.00 13.53 N ATOM 593 CA PHE A 36 -6.788 11.226 -1.867 1.00 33.32 C ATOM 594 C PHE A 36 -6.103 10.947 -0.522 1.00 4.15 C ATOM 595 O PHE A 36 -6.725 11.119 0.531 1.00 61.44 O ATOM 596 CB PHE A 36 -7.948 10.236 -2.120 1.00 44.41 C ATOM 597 CG PHE A 36 -7.549 8.794 -2.344 1.00 74.11 C ATOM 598 CD1 PHE A 36 -7.523 8.261 -3.622 1.00 13.01 C ATOM 599 CD2 PHE A 36 -7.227 7.972 -1.274 1.00 2.42 C ATOM 600 CE1 PHE A 36 -7.184 6.938 -3.831 1.00 1.12 C ATOM 601 CE2 PHE A 36 -6.882 6.650 -1.476 1.00 50.31 C ATOM 602 CZ PHE A 36 -6.863 6.131 -2.757 1.00 32.03 C ATOM 0 H PHE A 36 -5.208 10.382 -2.934 1.00 13.53 H new ATOM 0 HA PHE A 36 -7.202 12.233 -1.816 1.00 33.32 H new ATOM 0 HB2 PHE A 36 -8.627 10.277 -1.268 1.00 44.41 H new ATOM 0 HB3 PHE A 36 -8.508 10.577 -2.991 1.00 44.41 H new ATOM 0 HD1 PHE A 36 -7.771 8.888 -4.466 1.00 13.01 H new ATOM 0 HD2 PHE A 36 -7.246 8.371 -0.270 1.00 2.42 H new ATOM 0 HE1 PHE A 36 -7.170 6.535 -4.833 1.00 1.12 H new ATOM 0 HE2 PHE A 36 -6.627 6.023 -0.634 1.00 50.31 H new ATOM 0 HZ PHE A 36 -6.598 5.097 -2.918 1.00 32.03 H new ATOM 612 N ASP A 37 -4.817 10.520 -0.556 1.00 71.54 N ATOM 613 CA ASP A 37 -4.075 10.212 0.678 1.00 12.22 C ATOM 614 C ASP A 37 -2.575 10.074 0.414 1.00 5.44 C ATOM 615 O ASP A 37 -2.126 9.137 -0.257 1.00 15.20 O ATOM 616 CB ASP A 37 -4.605 8.927 1.349 1.00 35.30 C ATOM 617 CG ASP A 37 -4.346 8.896 2.846 1.00 41.23 C ATOM 618 OD1 ASP A 37 -3.163 8.881 3.243 1.00 70.34 O ATOM 619 OD2 ASP A 37 -5.328 8.887 3.618 1.00 70.24 O ATOM 0 H ASP A 37 -4.283 10.384 -1.415 1.00 71.54 H new ATOM 0 HA ASP A 37 -4.232 11.051 1.355 1.00 12.22 H new ATOM 0 HB2 ASP A 37 -5.677 8.843 1.168 1.00 35.30 H new ATOM 0 HB3 ASP A 37 -4.135 8.060 0.885 1.00 35.30 H new ATOM 624 N SER A 38 -1.824 11.035 0.940 1.00 35.14 N ATOM 625 CA SER A 38 -0.363 11.049 0.828 1.00 72.05 C ATOM 626 C SER A 38 0.293 10.944 2.204 1.00 61.33 C ATOM 627 O SER A 38 0.097 11.810 3.064 1.00 53.42 O ATOM 628 CB SER A 38 0.118 12.320 0.126 1.00 1.53 C ATOM 629 OG SER A 38 -0.597 13.460 0.572 1.00 1.21 O ATOM 0 H SER A 38 -2.206 11.827 1.456 1.00 35.14 H new ATOM 0 HA SER A 38 -0.072 10.184 0.232 1.00 72.05 H new ATOM 0 HB2 SER A 38 1.183 12.460 0.313 1.00 1.53 H new ATOM 0 HB3 SER A 38 -0.004 12.211 -0.952 1.00 1.53 H new ATOM 0 HG SER A 38 -0.645 14.120 -0.151 1.00 1.21 H new ATOM 635 N SER A 39 1.064 9.865 2.406 1.00 34.10 N ATOM 636 CA SER A 39 1.771 9.626 3.676 1.00 3.40 C ATOM 637 C SER A 39 3.052 10.468 3.791 1.00 71.04 C ATOM 638 O SER A 39 3.412 10.911 4.885 1.00 14.42 O ATOM 639 CB SER A 39 2.109 8.139 3.817 1.00 71.12 C ATOM 640 OG SER A 39 2.618 7.844 5.108 1.00 65.25 O ATOM 0 H SER A 39 1.215 9.141 1.704 1.00 34.10 H new ATOM 0 HA SER A 39 1.104 9.929 4.483 1.00 3.40 H new ATOM 0 HB2 SER A 39 1.216 7.542 3.631 1.00 71.12 H new ATOM 0 HB3 SER A 39 2.843 7.858 3.062 1.00 71.12 H new ATOM 0 HG SER A 39 3.353 8.457 5.318 1.00 65.25 H new ATOM 646 N ARG A 40 3.725 10.681 2.651 1.00 52.53 N ATOM 647 CA ARG A 40 4.980 11.454 2.593 1.00 1.22 C ATOM 648 C ARG A 40 4.751 12.976 2.638 1.00 23.13 C ATOM 649 O ARG A 40 5.655 13.723 3.023 1.00 22.12 O ATOM 650 CB ARG A 40 5.786 11.075 1.339 1.00 50.10 C ATOM 651 CG ARG A 40 5.001 11.203 0.038 1.00 40.44 C ATOM 652 CD ARG A 40 5.687 12.137 -0.947 1.00 34.30 C ATOM 653 NE ARG A 40 5.535 13.549 -0.573 1.00 13.41 N ATOM 654 CZ ARG A 40 6.091 14.577 -1.231 1.00 54.32 C ATOM 655 NH1 ARG A 40 6.847 14.378 -2.309 1.00 24.54 N ATOM 656 NH2 ARG A 40 5.886 15.816 -0.803 1.00 51.01 N ATOM 0 H ARG A 40 3.419 10.325 1.745 1.00 52.53 H new ATOM 0 HA ARG A 40 5.548 11.193 3.486 1.00 1.22 H new ATOM 0 HB2 ARG A 40 6.671 11.709 1.282 1.00 50.10 H new ATOM 0 HB3 ARG A 40 6.136 10.048 1.441 1.00 50.10 H new ATOM 0 HG2 ARG A 40 4.886 10.218 -0.415 1.00 40.44 H new ATOM 0 HG3 ARG A 40 3.999 11.574 0.253 1.00 40.44 H new ATOM 0 HD2 ARG A 40 6.747 11.890 -1.001 1.00 34.30 H new ATOM 0 HD3 ARG A 40 5.272 11.980 -1.943 1.00 34.30 H new ATOM 0 HE ARG A 40 4.966 13.763 0.246 1.00 13.41 H new ATOM 0 HH11 ARG A 40 7.012 13.430 -2.648 1.00 24.54 H new ATOM 0 HH12 ARG A 40 7.261 15.173 -2.795 1.00 24.54 H new ATOM 0 HH21 ARG A 40 5.309 15.982 0.021 1.00 51.01 H new ATOM 0 HH22 ARG A 40 6.306 16.603 -1.298 1.00 51.01 H new ATOM 670 N ASP A 41 3.544 13.426 2.244 1.00 23.13 N ATOM 671 CA ASP A 41 3.198 14.861 2.249 1.00 52.45 C ATOM 672 C ASP A 41 3.208 15.429 3.671 1.00 31.20 C ATOM 673 O ASP A 41 3.399 16.632 3.869 1.00 42.45 O ATOM 674 CB ASP A 41 1.831 15.090 1.602 1.00 64.34 C ATOM 675 CG ASP A 41 1.922 15.237 0.094 1.00 34.14 C ATOM 676 OD1 ASP A 41 2.332 14.266 -0.577 1.00 51.32 O ATOM 677 OD2 ASP A 41 1.582 16.325 -0.416 1.00 2.32 O ATOM 0 H ASP A 41 2.793 12.817 1.919 1.00 23.13 H new ATOM 0 HA ASP A 41 3.956 15.385 1.666 1.00 52.45 H new ATOM 0 HB2 ASP A 41 1.173 14.255 1.844 1.00 64.34 H new ATOM 0 HB3 ASP A 41 1.377 15.986 2.025 1.00 64.34 H new ATOM 682 N ARG A 42 2.998 14.538 4.646 1.00 55.15 N ATOM 683 CA ARG A 42 3.014 14.896 6.065 1.00 51.54 C ATOM 684 C ARG A 42 4.420 14.679 6.637 1.00 4.45 C ATOM 685 O ARG A 42 4.672 14.927 7.821 1.00 25.12 O ATOM 686 CB ARG A 42 1.992 14.056 6.848 1.00 71.30 C ATOM 687 CG ARG A 42 0.551 14.241 6.387 1.00 51.14 C ATOM 688 CD ARG A 42 -0.448 13.690 7.397 1.00 2.40 C ATOM 689 NE ARG A 42 -0.461 12.221 7.427 1.00 12.24 N ATOM 690 CZ ARG A 42 -1.208 11.481 8.259 1.00 53.41 C ATOM 691 NH1 ARG A 42 -2.019 12.050 9.148 1.00 24.54 N ATOM 692 NH2 ARG A 42 -1.139 10.158 8.198 1.00 13.42 N ATOM 0 H ARG A 42 2.813 13.550 4.472 1.00 55.15 H new ATOM 0 HA ARG A 42 2.742 15.947 6.163 1.00 51.54 H new ATOM 0 HB2 ARG A 42 2.258 13.003 6.758 1.00 71.30 H new ATOM 0 HB3 ARG A 42 2.060 14.313 7.905 1.00 71.30 H new ATOM 0 HG2 ARG A 42 0.356 15.301 6.225 1.00 51.14 H new ATOM 0 HG3 ARG A 42 0.410 13.741 5.429 1.00 51.14 H new ATOM 0 HD2 ARG A 42 -0.204 14.069 8.389 1.00 2.40 H new ATOM 0 HD3 ARG A 42 -1.446 14.055 7.153 1.00 2.40 H new ATOM 0 HE ARG A 42 0.142 11.729 6.767 1.00 12.24 H new ATOM 0 HH11 ARG A 42 -2.080 13.067 9.205 1.00 24.54 H new ATOM 0 HH12 ARG A 42 -2.579 11.469 9.772 1.00 24.54 H new ATOM 0 HH21 ARG A 42 -0.521 9.710 7.522 1.00 13.42 H new ATOM 0 HH22 ARG A 42 -1.704 9.588 8.828 1.00 13.42 H new ATOM 706 N ASN A 43 5.342 14.218 5.757 1.00 54.33 N ATOM 707 CA ASN A 43 6.753 13.933 6.101 1.00 4.33 C ATOM 708 C ASN A 43 6.865 12.802 7.139 1.00 11.11 C ATOM 709 O ASN A 43 7.754 12.816 8.002 1.00 34.31 O ATOM 710 CB ASN A 43 7.478 15.206 6.592 1.00 24.02 C ATOM 711 CG ASN A 43 7.669 16.230 5.489 1.00 72.44 C ATOM 712 OD1 ASN A 43 6.819 17.094 5.274 1.00 40.11 O ATOM 713 ND2 ASN A 43 8.791 16.137 4.784 1.00 53.22 N ATOM 0 H ASN A 43 5.122 14.032 4.778 1.00 54.33 H new ATOM 0 HA ASN A 43 7.246 13.595 5.190 1.00 4.33 H new ATOM 0 HB2 ASN A 43 6.906 15.655 7.404 1.00 24.02 H new ATOM 0 HB3 ASN A 43 8.451 14.931 7.000 1.00 24.02 H new ATOM 0 HD21 ASN A 43 8.976 16.798 4.030 1.00 53.22 H new ATOM 0 HD22 ASN A 43 9.468 15.404 4.997 1.00 53.22 H new HETATM 720 N MLY A 44 5.967 11.804 7.031 1.00 34.54 N HETATM 721 CA MLY A 44 5.962 10.672 7.970 1.00 24.12 C HETATM 722 CB MLY A 44 5.021 10.939 9.148 1.00 25.45 C HETATM 723 CG MLY A 44 5.635 11.816 10.225 1.00 5.24 C HETATM 724 CD MLY A 44 4.624 12.158 11.308 1.00 1.13 C HETATM 725 CE MLY A 44 5.307 12.664 12.570 1.00 34.53 C HETATM 726 NZ MLY A 44 4.315 13.294 13.458 1.00 51.05 N HETATM 727 CH1 MLY A 44 4.679 14.702 13.685 1.00 12.22 C HETATM 728 CH2 MLY A 44 4.285 12.585 14.747 1.00 50.43 C HETATM 729 C MLY A 44 5.568 9.356 7.290 1.00 2.04 C HETATM 730 O MLY A 44 4.515 9.281 6.649 1.00 74.11 O HETATM 0 HH23 MLY A 44 4.013 11.542 14.583 1.00 50.43 H new HETATM 0 HH22 MLY A 44 5.270 12.634 15.212 1.00 50.43 H new HETATM 0 HH21 MLY A 44 3.550 13.053 15.403 1.00 50.43 H new HETATM 0 HH13 MLY A 44 5.664 14.753 14.149 1.00 12.22 H new HETATM 0 HH12 MLY A 44 4.699 15.231 12.732 1.00 12.22 H new HETATM 0 HH11 MLY A 44 3.944 15.166 14.342 1.00 12.22 H new HETATM 0 HG3 MLY A 44 6.488 11.304 10.670 1.00 5.24 H new HETATM 0 HG2 MLY A 44 6.014 12.734 9.776 1.00 5.24 H new HETATM 0 HE3 MLY A 44 5.797 11.838 13.085 1.00 34.53 H new HETATM 0 HE2 MLY A 44 6.084 13.383 12.310 1.00 34.53 H new HETATM 0 HD3 MLY A 44 3.935 12.917 10.937 1.00 1.13 H new HETATM 0 HD2 MLY A 44 4.030 11.275 11.544 1.00 1.13 H new HETATM 0 HB3 MLY A 44 4.113 11.414 8.777 1.00 25.45 H new HETATM 0 HB2 MLY A 44 4.725 9.987 9.590 1.00 25.45 H new HETATM 0 HA MLY A 44 6.983 10.571 8.338 1.00 24.12 H new ATOM 747 N PRO A 45 6.420 8.293 7.418 1.00 62.03 N ATOM 748 CA PRO A 45 6.146 6.970 6.828 1.00 10.31 C ATOM 749 C PRO A 45 5.075 6.189 7.598 1.00 72.54 C ATOM 750 O PRO A 45 4.830 6.458 8.778 1.00 63.34 O ATOM 751 CB PRO A 45 7.498 6.253 6.897 1.00 65.23 C ATOM 752 CG PRO A 45 8.252 6.912 8.005 1.00 52.33 C ATOM 753 CD PRO A 45 7.722 8.316 8.130 1.00 64.14 C ATOM 0 HA PRO A 45 5.751 7.056 5.816 1.00 10.31 H new ATOM 0 HB2 PRO A 45 7.367 5.189 7.092 1.00 65.23 H new ATOM 0 HB3 PRO A 45 8.035 6.340 5.953 1.00 65.23 H new ATOM 0 HG2 PRO A 45 8.119 6.366 8.939 1.00 52.33 H new ATOM 0 HG3 PRO A 45 9.321 6.922 7.791 1.00 52.33 H new ATOM 0 HD2 PRO A 45 7.597 8.600 9.175 1.00 64.14 H new ATOM 0 HD3 PRO A 45 8.405 9.038 7.683 1.00 64.14 H new ATOM 761 N PHE A 46 4.449 5.228 6.916 1.00 52.43 N ATOM 762 CA PHE A 46 3.387 4.415 7.509 1.00 12.42 C ATOM 763 C PHE A 46 3.897 3.043 7.962 1.00 54.51 C ATOM 764 O PHE A 46 4.383 2.246 7.153 1.00 73.33 O ATOM 765 CB PHE A 46 2.243 4.255 6.502 1.00 50.23 C ATOM 766 CG PHE A 46 0.912 3.925 7.128 1.00 55.12 C ATOM 767 CD1 PHE A 46 0.495 2.609 7.233 1.00 52.33 C ATOM 768 CD2 PHE A 46 0.084 4.927 7.613 1.00 4.32 C ATOM 769 CE1 PHE A 46 -0.720 2.295 7.808 1.00 34.13 C ATOM 770 CE2 PHE A 46 -1.134 4.619 8.189 1.00 4.13 C ATOM 771 CZ PHE A 46 -1.536 3.301 8.286 1.00 10.44 C ATOM 0 H PHE A 46 4.662 4.993 5.946 1.00 52.43 H new ATOM 0 HA PHE A 46 3.025 4.930 8.399 1.00 12.42 H new ATOM 0 HB2 PHE A 46 2.145 5.178 5.931 1.00 50.23 H new ATOM 0 HB3 PHE A 46 2.504 3.468 5.794 1.00 50.23 H new ATOM 0 HD1 PHE A 46 1.129 1.818 6.860 1.00 52.33 H new ATOM 0 HD2 PHE A 46 0.395 5.959 7.540 1.00 4.32 H new ATOM 0 HE1 PHE A 46 -1.032 1.264 7.884 1.00 34.13 H new ATOM 0 HE2 PHE A 46 -1.770 5.407 8.563 1.00 4.13 H new ATOM 0 HZ PHE A 46 -2.488 3.058 8.735 1.00 10.44 H new HETATM 781 N MLY A 47 3.784 2.797 9.271 1.00 21.12 N HETATM 782 CA MLY A 47 4.197 1.530 9.882 1.00 63.34 C HETATM 783 CB MLY A 47 5.070 1.798 11.115 1.00 43.31 C HETATM 784 CG MLY A 47 5.996 2.990 10.941 1.00 32.35 C HETATM 785 CD MLY A 47 7.009 3.113 12.053 1.00 72.20 C HETATM 786 CE MLY A 47 8.200 3.911 11.567 1.00 42.23 C HETATM 787 NZ MLY A 47 9.156 4.131 12.666 1.00 35.31 N HETATM 788 CH1 MLY A 47 9.181 5.559 13.022 1.00 43.20 C HETATM 789 CH2 MLY A 47 10.500 3.713 12.240 1.00 74.45 C HETATM 790 C MLY A 47 2.967 0.714 10.277 1.00 63.22 C HETATM 791 O MLY A 47 2.037 1.249 10.886 1.00 51.34 O HETATM 0 HH23 MLY A 47 10.486 2.655 11.978 1.00 74.45 H new HETATM 0 HH22 MLY A 47 10.805 4.298 11.372 1.00 74.45 H new HETATM 0 HH21 MLY A 47 11.207 3.876 13.054 1.00 74.45 H new HETATM 0 HH13 MLY A 47 9.486 6.145 12.155 1.00 43.20 H new HETATM 0 HH12 MLY A 47 8.187 5.872 13.340 1.00 43.20 H new HETATM 0 HH11 MLY A 47 9.889 5.719 13.835 1.00 43.20 H new HETATM 0 HG3 MLY A 47 6.518 2.902 9.988 1.00 32.35 H new HETATM 0 HG2 MLY A 47 5.401 3.902 10.895 1.00 32.35 H new HETATM 0 HE3 MLY A 47 8.691 3.382 10.750 1.00 42.23 H new HETATM 0 HE2 MLY A 47 7.866 4.870 11.170 1.00 42.23 H new HETATM 0 HD3 MLY A 47 6.559 3.602 12.917 1.00 72.20 H new HETATM 0 HD2 MLY A 47 7.329 2.123 12.378 1.00 72.20 H new HETATM 0 HB3 MLY A 47 4.427 1.968 11.978 1.00 43.31 H new HETATM 0 HB2 MLY A 47 5.666 0.911 11.331 1.00 43.31 H new HETATM 0 HA MLY A 47 4.779 0.962 9.156 1.00 63.34 H new HETATM 0 H MLY A 47 4.084 3.682 9.680 1.00 21.12 H new ATOM 808 N PHE A 48 2.971 -0.582 9.926 1.00 63.04 N ATOM 809 CA PHE A 48 1.843 -1.482 10.230 1.00 23.12 C ATOM 810 C PHE A 48 2.309 -2.938 10.390 1.00 45.43 C ATOM 811 O PHE A 48 3.398 -3.298 9.939 1.00 53.22 O ATOM 812 CB PHE A 48 0.771 -1.386 9.116 1.00 60.34 C ATOM 813 CG PHE A 48 1.218 -1.902 7.767 1.00 23.12 C ATOM 814 CD1 PHE A 48 1.994 -1.119 6.924 1.00 65.44 C ATOM 815 CD2 PHE A 48 0.866 -3.176 7.355 1.00 64.54 C ATOM 816 CE1 PHE A 48 2.406 -1.599 5.696 1.00 53.32 C ATOM 817 CE2 PHE A 48 1.275 -3.661 6.129 1.00 73.33 C ATOM 818 CZ PHE A 48 2.046 -2.872 5.299 1.00 3.21 C ATOM 0 H PHE A 48 3.742 -1.031 9.432 1.00 63.04 H new ATOM 0 HA PHE A 48 1.409 -1.165 11.178 1.00 23.12 H new ATOM 0 HB2 PHE A 48 -0.111 -1.944 9.430 1.00 60.34 H new ATOM 0 HB3 PHE A 48 0.468 -0.344 9.010 1.00 60.34 H new ATOM 0 HD1 PHE A 48 2.279 -0.124 7.231 1.00 65.44 H new ATOM 0 HD2 PHE A 48 0.264 -3.798 8.001 1.00 64.54 H new ATOM 0 HE1 PHE A 48 3.008 -0.980 5.048 1.00 53.32 H new ATOM 0 HE2 PHE A 48 0.992 -4.656 5.820 1.00 73.33 H new ATOM 0 HZ PHE A 48 2.368 -3.250 4.340 1.00 3.21 H new ATOM 828 N MET A 49 1.467 -3.768 11.025 1.00 33.23 N ATOM 829 CA MET A 49 1.773 -5.183 11.223 1.00 71.14 C ATOM 830 C MET A 49 0.941 -6.045 10.282 1.00 22.43 C ATOM 831 O MET A 49 -0.264 -5.825 10.130 1.00 41.24 O ATOM 832 CB MET A 49 1.506 -5.606 12.668 1.00 22.35 C ATOM 833 CG MET A 49 2.709 -5.465 13.588 1.00 60.11 C ATOM 834 SD MET A 49 3.128 -3.746 13.946 1.00 51.55 S ATOM 835 CE MET A 49 1.927 -3.344 15.215 1.00 63.41 C ATOM 0 H MET A 49 0.568 -3.477 11.409 1.00 33.23 H new ATOM 0 HA MET A 49 2.831 -5.326 11.005 1.00 71.14 H new ATOM 0 HB2 MET A 49 0.686 -5.007 13.065 1.00 22.35 H new ATOM 0 HB3 MET A 49 1.175 -6.645 12.676 1.00 22.35 H new ATOM 0 HG2 MET A 49 2.506 -5.986 14.524 1.00 60.11 H new ATOM 0 HG3 MET A 49 3.569 -5.955 13.130 1.00 60.11 H new ATOM 0 HE1 MET A 49 1.578 -2.321 15.075 1.00 63.41 H new ATOM 0 HE2 MET A 49 1.081 -4.028 15.145 1.00 63.41 H new ATOM 0 HE3 MET A 49 2.390 -3.438 16.197 1.00 63.41 H new ATOM 845 N LEU A 50 1.599 -7.027 9.656 1.00 22.40 N ATOM 846 CA LEU A 50 0.943 -7.954 8.727 1.00 23.24 C ATOM 847 C LEU A 50 0.163 -9.033 9.467 1.00 71.40 C ATOM 848 O LEU A 50 0.619 -9.551 10.491 1.00 63.44 O ATOM 849 CB LEU A 50 1.990 -8.622 7.818 1.00 74.22 C ATOM 850 CG LEU A 50 2.196 -8.033 6.408 1.00 62.03 C ATOM 851 CD1 LEU A 50 0.886 -7.893 5.650 1.00 23.44 C ATOM 852 CD2 LEU A 50 2.942 -6.706 6.468 1.00 72.11 C ATOM 0 H LEU A 50 2.597 -7.201 9.778 1.00 22.40 H new ATOM 0 HA LEU A 50 0.243 -7.373 8.126 1.00 23.24 H new ATOM 0 HB2 LEU A 50 2.949 -8.596 8.336 1.00 74.22 H new ATOM 0 HB3 LEU A 50 1.717 -9.671 7.706 1.00 74.22 H new ATOM 0 HG LEU A 50 2.812 -8.741 5.854 1.00 62.03 H new ATOM 0 HD11 LEU A 50 1.080 -7.474 4.663 1.00 23.44 H new ATOM 0 HD12 LEU A 50 0.421 -8.873 5.544 1.00 23.44 H new ATOM 0 HD13 LEU A 50 0.217 -7.231 6.200 1.00 23.44 H new ATOM 0 HD21 LEU A 50 3.072 -6.316 5.459 1.00 72.11 H new ATOM 0 HD22 LEU A 50 2.370 -5.993 7.062 1.00 72.11 H new ATOM 0 HD23 LEU A 50 3.919 -6.858 6.927 1.00 72.11 H new ATOM 864 N GLY A 51 -1.017 -9.359 8.930 1.00 35.24 N ATOM 865 CA GLY A 51 -1.875 -10.374 9.529 1.00 71.31 C ATOM 866 C GLY A 51 -2.729 -9.841 10.674 1.00 50.01 C ATOM 867 O GLY A 51 -3.614 -10.547 11.169 1.00 31.34 O ATOM 0 H GLY A 51 -1.395 -8.933 8.084 1.00 35.24 H new ATOM 0 HA2 GLY A 51 -2.527 -10.788 8.760 1.00 71.31 H new ATOM 0 HA3 GLY A 51 -1.256 -11.192 9.897 1.00 71.31 H new HETATM 871 N MLY A 52 -2.459 -8.593 11.092 1.00 22.42 N HETATM 872 CA MLY A 52 -3.210 -7.943 12.175 1.00 50.33 C HETATM 873 CB MLY A 52 -2.345 -6.892 12.896 1.00 33.52 C HETATM 874 CG MLY A 52 -1.237 -7.462 13.781 1.00 64.24 C HETATM 875 CD MLY A 52 -1.788 -8.110 15.048 1.00 72.22 C HETATM 876 CE MLY A 52 -0.742 -8.960 15.760 1.00 30.34 C HETATM 877 NZ MLY A 52 0.157 -8.100 16.550 1.00 33.24 N HETATM 878 CH1 MLY A 52 1.544 -8.301 16.105 1.00 11.24 C HETATM 879 CH2 MLY A 52 0.047 -8.446 17.976 1.00 42.22 C HETATM 880 C MLY A 52 -4.468 -7.273 11.633 1.00 12.24 C HETATM 881 O MLY A 52 -5.373 -6.917 12.393 1.00 14.32 O HETATM 0 HH23 MLY A 52 -0.980 -8.297 18.308 1.00 42.22 H new HETATM 0 HH22 MLY A 52 0.327 -9.490 18.120 1.00 42.22 H new HETATM 0 HH21 MLY A 52 0.713 -7.808 18.558 1.00 42.22 H new HETATM 0 HH13 MLY A 52 1.824 -9.345 16.246 1.00 11.24 H new HETATM 0 HH12 MLY A 52 1.629 -8.042 15.050 1.00 11.24 H new HETATM 0 HH11 MLY A 52 2.209 -7.665 16.689 1.00 11.24 H new HETATM 0 HG3 MLY A 52 -0.666 -8.199 13.216 1.00 64.24 H new HETATM 0 HG2 MLY A 52 -0.546 -6.665 14.054 1.00 64.24 H new HETATM 0 HE3 MLY A 52 -1.232 -9.683 16.412 1.00 30.34 H new HETATM 0 HE2 MLY A 52 -0.166 -9.528 15.030 1.00 30.34 H new HETATM 0 HD3 MLY A 52 -2.146 -7.334 15.725 1.00 72.22 H new HETATM 0 HD2 MLY A 52 -2.647 -8.731 14.793 1.00 72.22 H new HETATM 0 HB3 MLY A 52 -1.893 -6.241 12.148 1.00 33.52 H new HETATM 0 HB2 MLY A 52 -2.995 -6.268 13.510 1.00 33.52 H new HETATM 0 HA MLY A 52 -3.493 -8.718 12.887 1.00 50.33 H new HETATM 0 H MLY A 52 -1.493 -8.323 10.908 1.00 22.42 H new ATOM 898 N GLN A 53 -4.496 -7.105 10.299 1.00 64.22 N ATOM 899 CA GLN A 53 -5.627 -6.491 9.559 1.00 1.55 C ATOM 900 C GLN A 53 -5.745 -4.979 9.829 1.00 54.20 C ATOM 901 O GLN A 53 -6.832 -4.394 9.721 1.00 41.22 O ATOM 902 CB GLN A 53 -6.966 -7.209 9.856 1.00 51.25 C ATOM 903 CG GLN A 53 -6.993 -8.668 9.420 1.00 51.21 C ATOM 904 CD GLN A 53 -8.392 -9.252 9.423 1.00 32.32 C ATOM 905 OE1 GLN A 53 -9.103 -9.195 8.420 1.00 62.40 O ATOM 906 NE2 GLN A 53 -8.794 -9.819 10.555 1.00 1.32 N ATOM 0 H GLN A 53 -3.728 -7.393 9.692 1.00 64.22 H new ATOM 0 HA GLN A 53 -5.407 -6.619 8.499 1.00 1.55 H new ATOM 0 HB2 GLN A 53 -7.166 -7.156 10.926 1.00 51.25 H new ATOM 0 HB3 GLN A 53 -7.773 -6.675 9.354 1.00 51.25 H new ATOM 0 HG2 GLN A 53 -6.570 -8.752 8.419 1.00 51.21 H new ATOM 0 HG3 GLN A 53 -6.357 -9.254 10.084 1.00 51.21 H new ATOM 0 HE21 GLN A 53 -8.171 -9.844 11.362 1.00 1.32 H new ATOM 0 HE22 GLN A 53 -9.726 -10.230 10.617 1.00 1.32 H new ATOM 915 N GLU A 54 -4.605 -4.348 10.156 1.00 41.31 N ATOM 916 CA GLU A 54 -4.547 -2.899 10.421 1.00 72.24 C ATOM 917 C GLU A 54 -4.606 -2.104 9.114 1.00 75.25 C ATOM 918 O GLU A 54 -4.839 -0.892 9.119 1.00 34.30 O ATOM 919 CB GLU A 54 -3.260 -2.538 11.173 1.00 53.34 C ATOM 920 CG GLU A 54 -3.211 -3.055 12.600 1.00 11.31 C ATOM 921 CD GLU A 54 -1.958 -2.623 13.335 1.00 20.35 C ATOM 922 OE1 GLU A 54 -0.951 -3.360 13.276 1.00 44.02 O ATOM 923 OE2 GLU A 54 -1.983 -1.548 13.971 1.00 15.22 O ATOM 0 H GLU A 54 -3.706 -4.821 10.244 1.00 41.31 H new ATOM 0 HA GLU A 54 -5.409 -2.641 11.036 1.00 72.24 H new ATOM 0 HB2 GLU A 54 -2.407 -2.937 10.624 1.00 53.34 H new ATOM 0 HB3 GLU A 54 -3.152 -1.453 11.187 1.00 53.34 H new ATOM 0 HG2 GLU A 54 -4.087 -2.698 13.142 1.00 11.31 H new ATOM 0 HG3 GLU A 54 -3.264 -4.144 12.590 1.00 11.31 H new ATOM 930 N VAL A 55 -4.391 -2.815 8.005 1.00 22.22 N ATOM 931 CA VAL A 55 -4.403 -2.226 6.666 1.00 23.14 C ATOM 932 C VAL A 55 -5.370 -2.995 5.749 1.00 5.11 C ATOM 933 O VAL A 55 -6.026 -3.944 6.193 1.00 74.45 O ATOM 934 CB VAL A 55 -2.965 -2.170 6.054 1.00 71.05 C ATOM 935 CG1 VAL A 55 -2.106 -1.170 6.819 1.00 61.41 C ATOM 936 CG2 VAL A 55 -2.281 -3.541 6.034 1.00 43.13 C ATOM 0 H VAL A 55 -4.203 -3.818 8.011 1.00 22.22 H new ATOM 0 HA VAL A 55 -4.758 -1.199 6.751 1.00 23.14 H new ATOM 0 HB VAL A 55 -3.071 -1.847 5.018 1.00 71.05 H new ATOM 0 HG11 VAL A 55 -1.107 -1.140 6.383 1.00 61.41 H new ATOM 0 HG12 VAL A 55 -2.558 -0.180 6.758 1.00 61.41 H new ATOM 0 HG13 VAL A 55 -2.037 -1.474 7.864 1.00 61.41 H new ATOM 0 HG21 VAL A 55 -1.286 -3.445 5.599 1.00 43.13 H new ATOM 0 HG22 VAL A 55 -2.197 -3.921 7.052 1.00 43.13 H new ATOM 0 HG23 VAL A 55 -2.873 -4.234 5.436 1.00 43.13 H new ATOM 946 N ILE A 56 -5.455 -2.582 4.476 1.00 52.14 N ATOM 947 CA ILE A 56 -6.347 -3.228 3.501 1.00 1.25 C ATOM 948 C ILE A 56 -5.765 -4.545 2.972 1.00 22.44 C ATOM 949 O ILE A 56 -4.552 -4.768 3.040 1.00 40.42 O ATOM 950 CB ILE A 56 -6.713 -2.286 2.316 1.00 14.41 C ATOM 951 CG1 ILE A 56 -5.487 -1.512 1.779 1.00 4.24 C ATOM 952 CG2 ILE A 56 -7.809 -1.323 2.764 1.00 53.42 C ATOM 953 CD1 ILE A 56 -5.690 -0.896 0.403 1.00 34.03 C ATOM 0 H ILE A 56 -4.917 -1.803 4.097 1.00 52.14 H new ATOM 0 HA ILE A 56 -7.265 -3.455 4.043 1.00 1.25 H new ATOM 0 HB ILE A 56 -7.074 -2.900 1.491 1.00 14.41 H new ATOM 0 HG12 ILE A 56 -5.234 -0.721 2.485 1.00 4.24 H new ATOM 0 HG13 ILE A 56 -4.634 -2.189 1.739 1.00 4.24 H new ATOM 0 HG21 ILE A 56 -8.070 -0.660 1.939 1.00 53.42 H new ATOM 0 HG22 ILE A 56 -8.689 -1.890 3.067 1.00 53.42 H new ATOM 0 HG23 ILE A 56 -7.451 -0.731 3.606 1.00 53.42 H new ATOM 0 HD11 ILE A 56 -4.783 -0.372 0.102 1.00 34.03 H new ATOM 0 HD12 ILE A 56 -5.912 -1.682 -0.319 1.00 34.03 H new ATOM 0 HD13 ILE A 56 -6.521 -0.192 0.439 1.00 34.03 H new ATOM 965 N ARG A 57 -6.650 -5.411 2.444 1.00 73.41 N ATOM 966 CA ARG A 57 -6.261 -6.727 1.906 1.00 3.13 C ATOM 967 C ARG A 57 -5.250 -6.597 0.761 1.00 73.31 C ATOM 968 O ARG A 57 -4.266 -7.341 0.709 1.00 3.15 O ATOM 969 CB ARG A 57 -7.505 -7.485 1.430 1.00 41.00 C ATOM 970 CG ARG A 57 -7.374 -8.997 1.522 1.00 54.31 C ATOM 971 CD ARG A 57 -8.700 -9.686 1.252 1.00 33.13 C ATOM 972 NE ARG A 57 -8.642 -11.125 1.535 1.00 45.05 N ATOM 973 CZ ARG A 57 -9.701 -11.948 1.527 1.00 12.11 C ATOM 974 NH1 ARG A 57 -10.924 -11.496 1.251 1.00 21.43 N ATOM 975 NH2 ARG A 57 -9.532 -13.235 1.798 1.00 4.55 N ATOM 0 H ARG A 57 -7.650 -5.219 2.379 1.00 73.41 H new ATOM 0 HA ARG A 57 -5.779 -7.286 2.708 1.00 3.13 H new ATOM 0 HB2 ARG A 57 -8.362 -7.167 2.024 1.00 41.00 H new ATOM 0 HB3 ARG A 57 -7.713 -7.210 0.396 1.00 41.00 H new ATOM 0 HG2 ARG A 57 -6.630 -9.343 0.805 1.00 54.31 H new ATOM 0 HG3 ARG A 57 -7.014 -9.273 2.513 1.00 54.31 H new ATOM 0 HD2 ARG A 57 -9.477 -9.228 1.863 1.00 33.13 H new ATOM 0 HD3 ARG A 57 -8.982 -9.533 0.210 1.00 33.13 H new ATOM 0 HE ARG A 57 -7.731 -11.528 1.753 1.00 45.05 H new ATOM 0 HH11 ARG A 57 -11.067 -10.508 1.041 1.00 21.43 H new ATOM 0 HH12 ARG A 57 -11.717 -12.138 1.250 1.00 21.43 H new ATOM 0 HH21 ARG A 57 -8.601 -13.593 2.011 1.00 4.55 H new ATOM 0 HH22 ARG A 57 -10.333 -13.867 1.794 1.00 4.55 H new ATOM 989 N GLY A 58 -5.507 -5.646 -0.150 1.00 75.12 N ATOM 990 CA GLY A 58 -4.612 -5.398 -1.280 1.00 3.21 C ATOM 991 C GLY A 58 -3.216 -4.938 -0.861 1.00 15.14 C ATOM 992 O GLY A 58 -2.267 -5.055 -1.642 1.00 21.04 O ATOM 0 H GLY A 58 -6.327 -5.040 -0.122 1.00 75.12 H new ATOM 0 HA2 GLY A 58 -4.524 -6.310 -1.871 1.00 3.21 H new ATOM 0 HA3 GLY A 58 -5.057 -4.641 -1.927 1.00 3.21 H new ATOM 996 N TRP A 59 -3.097 -4.414 0.375 1.00 34.52 N ATOM 997 CA TRP A 59 -1.809 -3.959 0.911 1.00 11.53 C ATOM 998 C TRP A 59 -1.024 -5.119 1.512 1.00 15.11 C ATOM 999 O TRP A 59 0.176 -5.237 1.280 1.00 30.32 O ATOM 1000 CB TRP A 59 -1.997 -2.870 1.978 1.00 30.13 C ATOM 1001 CG TRP A 59 -2.032 -1.454 1.444 1.00 24.41 C ATOM 1002 CD1 TRP A 59 -2.354 -1.045 0.175 1.00 50.03 C ATOM 1003 CD2 TRP A 59 -1.729 -0.256 2.178 1.00 23.30 C ATOM 1004 NE1 TRP A 59 -2.276 0.322 0.082 1.00 12.30 N ATOM 1005 CE2 TRP A 59 -1.894 0.829 1.295 1.00 64.24 C ATOM 1006 CE3 TRP A 59 -1.336 0.006 3.497 1.00 10.45 C ATOM 1007 CZ2 TRP A 59 -1.683 2.148 1.688 1.00 44.24 C ATOM 1008 CZ3 TRP A 59 -1.126 1.316 3.883 1.00 4.50 C ATOM 1009 CH2 TRP A 59 -1.301 2.371 2.981 1.00 20.34 C ATOM 0 H TRP A 59 -3.881 -4.297 1.017 1.00 34.52 H new ATOM 0 HA TRP A 59 -1.249 -3.541 0.075 1.00 11.53 H new ATOM 0 HB2 TRP A 59 -2.926 -3.064 2.514 1.00 30.13 H new ATOM 0 HB3 TRP A 59 -1.188 -2.949 2.704 1.00 30.13 H new ATOM 0 HD1 TRP A 59 -2.629 -1.704 -0.635 1.00 50.03 H new ATOM 0 HE1 TRP A 59 -2.471 0.871 -0.755 1.00 12.30 H new ATOM 0 HE3 TRP A 59 -1.200 -0.802 4.200 1.00 10.45 H new ATOM 0 HZ2 TRP A 59 -1.817 2.966 0.995 1.00 44.24 H new ATOM 0 HZ3 TRP A 59 -0.822 1.529 4.897 1.00 4.50 H new ATOM 0 HH2 TRP A 59 -1.130 3.384 3.314 1.00 20.34 H new ATOM 1020 N GLU A 60 -1.717 -5.981 2.275 1.00 64.02 N ATOM 1021 CA GLU A 60 -1.086 -7.142 2.924 1.00 11.50 C ATOM 1022 C GLU A 60 -0.591 -8.163 1.894 1.00 31.21 C ATOM 1023 O GLU A 60 0.467 -8.774 2.076 1.00 2.33 O ATOM 1024 CB GLU A 60 -2.059 -7.824 3.902 1.00 15.25 C ATOM 1025 CG GLU A 60 -2.566 -6.914 5.009 1.00 64.33 C ATOM 1026 CD GLU A 60 -3.212 -7.680 6.146 1.00 71.32 C ATOM 1027 OE1 GLU A 60 -2.552 -7.862 7.190 1.00 12.21 O ATOM 1028 OE2 GLU A 60 -4.379 -8.098 5.992 1.00 23.02 O ATOM 0 H GLU A 60 -2.717 -5.895 2.458 1.00 64.02 H new ATOM 0 HA GLU A 60 -0.226 -6.768 3.480 1.00 11.50 H new ATOM 0 HB2 GLU A 60 -2.912 -8.206 3.341 1.00 15.25 H new ATOM 0 HB3 GLU A 60 -1.562 -8.683 4.352 1.00 15.25 H new ATOM 0 HG2 GLU A 60 -1.736 -6.325 5.399 1.00 64.33 H new ATOM 0 HG3 GLU A 60 -3.288 -6.211 4.594 1.00 64.33 H new ATOM 1035 N GLU A 61 -1.370 -8.336 0.819 1.00 13.22 N ATOM 1036 CA GLU A 61 -1.028 -9.269 -0.262 1.00 4.04 C ATOM 1037 C GLU A 61 -0.083 -8.629 -1.287 1.00 23.14 C ATOM 1038 O GLU A 61 0.671 -9.336 -1.960 1.00 64.00 O ATOM 1039 CB GLU A 61 -2.298 -9.760 -0.966 1.00 12.20 C ATOM 1040 CG GLU A 61 -3.117 -10.744 -0.144 1.00 33.24 C ATOM 1041 CD GLU A 61 -4.354 -11.227 -0.875 1.00 73.22 C ATOM 1042 OE1 GLU A 61 -5.440 -10.655 -0.647 1.00 24.44 O ATOM 1043 OE2 GLU A 61 -4.236 -12.178 -1.676 1.00 21.23 O ATOM 0 H GLU A 61 -2.248 -7.838 0.674 1.00 13.22 H new ATOM 0 HA GLU A 61 -0.513 -10.116 0.191 1.00 4.04 H new ATOM 0 HB2 GLU A 61 -2.921 -8.900 -1.212 1.00 12.20 H new ATOM 0 HB3 GLU A 61 -2.020 -10.232 -1.908 1.00 12.20 H new ATOM 0 HG2 GLU A 61 -2.495 -11.601 0.115 1.00 33.24 H new ATOM 0 HG3 GLU A 61 -3.414 -10.271 0.792 1.00 33.24 H new ATOM 1050 N GLY A 62 -0.130 -7.290 -1.388 1.00 2.32 N ATOM 1051 CA GLY A 62 0.710 -6.561 -2.336 1.00 34.53 C ATOM 1052 C GLY A 62 2.085 -6.196 -1.789 1.00 41.44 C ATOM 1053 O GLY A 62 3.094 -6.394 -2.472 1.00 71.54 O ATOM 0 H GLY A 62 -0.740 -6.698 -0.825 1.00 2.32 H new ATOM 0 HA2 GLY A 62 0.836 -7.165 -3.234 1.00 34.53 H new ATOM 0 HA3 GLY A 62 0.195 -5.648 -2.636 1.00 34.53 H new ATOM 1057 N VAL A 63 2.123 -5.663 -0.554 1.00 13.21 N ATOM 1058 CA VAL A 63 3.383 -5.255 0.103 1.00 21.10 C ATOM 1059 C VAL A 63 4.316 -6.459 0.347 1.00 62.21 C ATOM 1060 O VAL A 63 5.536 -6.304 0.443 1.00 10.30 O ATOM 1061 CB VAL A 63 3.090 -4.500 1.441 1.00 1.44 C ATOM 1062 CG1 VAL A 63 2.802 -5.453 2.606 1.00 73.30 C ATOM 1063 CG2 VAL A 63 4.230 -3.550 1.789 1.00 1.13 C ATOM 0 H VAL A 63 1.291 -5.503 0.014 1.00 13.21 H new ATOM 0 HA VAL A 63 3.899 -4.574 -0.573 1.00 21.10 H new ATOM 0 HB VAL A 63 2.184 -3.916 1.280 1.00 1.44 H new ATOM 0 HG11 VAL A 63 2.606 -4.875 3.509 1.00 73.30 H new ATOM 0 HG12 VAL A 63 1.931 -6.064 2.370 1.00 73.30 H new ATOM 0 HG13 VAL A 63 3.665 -6.099 2.769 1.00 73.30 H new ATOM 0 HG21 VAL A 63 4.003 -3.036 2.723 1.00 1.13 H new ATOM 0 HG22 VAL A 63 5.154 -4.117 1.901 1.00 1.13 H new ATOM 0 HG23 VAL A 63 4.349 -2.817 0.991 1.00 1.13 H new ATOM 1073 N ALA A 64 3.707 -7.645 0.442 1.00 31.45 N ATOM 1074 CA ALA A 64 4.432 -8.900 0.666 1.00 31.03 C ATOM 1075 C ALA A 64 5.136 -9.383 -0.610 1.00 33.41 C ATOM 1076 O ALA A 64 5.927 -10.331 -0.573 1.00 20.51 O ATOM 1077 CB ALA A 64 3.468 -9.962 1.174 1.00 31.20 C ATOM 0 H ALA A 64 2.697 -7.762 0.366 1.00 31.45 H new ATOM 0 HA ALA A 64 5.203 -8.719 1.415 1.00 31.03 H new ATOM 0 HB1 ALA A 64 4.008 -10.894 1.340 1.00 31.20 H new ATOM 0 HB2 ALA A 64 3.021 -9.630 2.111 1.00 31.20 H new ATOM 0 HB3 ALA A 64 2.683 -10.124 0.435 1.00 31.20 H new ATOM 1083 N GLN A 65 4.837 -8.710 -1.729 1.00 10.14 N ATOM 1084 CA GLN A 65 5.423 -9.039 -3.033 1.00 4.44 C ATOM 1085 C GLN A 65 6.700 -8.227 -3.290 1.00 1.34 C ATOM 1086 O GLN A 65 7.447 -8.518 -4.230 1.00 54.10 O ATOM 1087 CB GLN A 65 4.406 -8.774 -4.155 1.00 23.01 C ATOM 1088 CG GLN A 65 3.028 -9.386 -3.902 1.00 41.22 C ATOM 1089 CD GLN A 65 2.042 -9.160 -5.038 1.00 21.44 C ATOM 1090 OE1 GLN A 65 2.407 -9.150 -6.217 1.00 10.20 O ATOM 1091 NE2 GLN A 65 0.775 -8.968 -4.683 1.00 4.02 N ATOM 0 H GLN A 65 4.185 -7.926 -1.755 1.00 10.14 H new ATOM 0 HA GLN A 65 5.685 -10.097 -3.023 1.00 4.44 H new ATOM 0 HB2 GLN A 65 4.296 -7.697 -4.285 1.00 23.01 H new ATOM 0 HB3 GLN A 65 4.802 -9.169 -5.091 1.00 23.01 H new ATOM 0 HG2 GLN A 65 3.141 -10.458 -3.738 1.00 41.22 H new ATOM 0 HG3 GLN A 65 2.616 -8.965 -2.985 1.00 41.22 H new ATOM 0 HE21 GLN A 65 0.514 -8.984 -3.697 1.00 4.02 H new ATOM 0 HE22 GLN A 65 0.065 -8.805 -5.397 1.00 4.02 H new ATOM 1100 N MET A 66 6.941 -7.215 -2.443 1.00 51.30 N ATOM 1101 CA MET A 66 8.117 -6.349 -2.566 1.00 45.42 C ATOM 1102 C MET A 66 9.136 -6.651 -1.466 1.00 14.24 C ATOM 1103 O MET A 66 8.778 -7.159 -0.399 1.00 42.21 O ATOM 1104 CB MET A 66 7.737 -4.856 -2.518 1.00 54.20 C ATOM 1105 CG MET A 66 6.253 -4.548 -2.324 1.00 71.10 C ATOM 1106 SD MET A 66 5.804 -2.876 -2.854 1.00 71.25 S ATOM 1107 CE MET A 66 6.942 -1.868 -1.900 1.00 23.31 C ATOM 0 H MET A 66 6.331 -6.977 -1.661 1.00 51.30 H new ATOM 0 HA MET A 66 8.563 -6.559 -3.538 1.00 45.42 H new ATOM 0 HB2 MET A 66 8.294 -4.386 -1.708 1.00 54.20 H new ATOM 0 HB3 MET A 66 8.067 -4.388 -3.445 1.00 54.20 H new ATOM 0 HG2 MET A 66 5.661 -5.272 -2.884 1.00 71.10 H new ATOM 0 HG3 MET A 66 5.996 -4.671 -1.272 1.00 71.10 H new ATOM 0 HE1 MET A 66 6.740 -0.814 -2.088 1.00 23.31 H new ATOM 0 HE2 MET A 66 6.812 -2.078 -0.838 1.00 23.31 H new ATOM 0 HE3 MET A 66 7.966 -2.099 -2.193 1.00 23.31 H new ATOM 1117 N SER A 67 10.404 -6.319 -1.739 1.00 4.44 N ATOM 1118 CA SER A 67 11.500 -6.545 -0.792 1.00 50.24 C ATOM 1119 C SER A 67 12.028 -5.214 -0.252 1.00 5.23 C ATOM 1120 O SER A 67 11.713 -4.157 -0.798 1.00 51.25 O ATOM 1121 CB SER A 67 12.629 -7.327 -1.475 1.00 21.11 C ATOM 1122 OG SER A 67 12.999 -6.723 -2.703 1.00 40.45 O ATOM 0 H SER A 67 10.697 -5.889 -2.617 1.00 4.44 H new ATOM 0 HA SER A 67 11.121 -7.129 0.047 1.00 50.24 H new ATOM 0 HB2 SER A 67 13.494 -7.374 -0.814 1.00 21.11 H new ATOM 0 HB3 SER A 67 12.308 -8.353 -1.653 1.00 21.11 H new ATOM 0 HG SER A 67 12.580 -7.207 -3.445 1.00 40.45 H new ATOM 1128 N VAL A 68 12.844 -5.275 0.819 1.00 33.02 N ATOM 1129 CA VAL A 68 13.428 -4.074 1.454 1.00 53.10 C ATOM 1130 C VAL A 68 14.221 -3.234 0.435 1.00 12.43 C ATOM 1131 O VAL A 68 15.148 -3.733 -0.209 1.00 21.20 O ATOM 1132 CB VAL A 68 14.338 -4.459 2.664 1.00 34.11 C ATOM 1133 CG1 VAL A 68 15.134 -3.266 3.192 1.00 30.52 C ATOM 1134 CG2 VAL A 68 13.505 -5.057 3.792 1.00 13.21 C ATOM 0 H VAL A 68 13.116 -6.150 1.266 1.00 33.02 H new ATOM 0 HA VAL A 68 12.601 -3.470 1.827 1.00 53.10 H new ATOM 0 HB VAL A 68 15.049 -5.201 2.301 1.00 34.11 H new ATOM 0 HG11 VAL A 68 15.751 -3.584 4.032 1.00 30.52 H new ATOM 0 HG12 VAL A 68 15.773 -2.875 2.400 1.00 30.52 H new ATOM 0 HG13 VAL A 68 14.446 -2.487 3.521 1.00 30.52 H new ATOM 0 HG21 VAL A 68 14.156 -5.319 4.626 1.00 13.21 H new ATOM 0 HG22 VAL A 68 12.766 -4.328 4.124 1.00 13.21 H new ATOM 0 HG23 VAL A 68 12.997 -5.952 3.434 1.00 13.21 H new ATOM 1144 N GLY A 69 13.828 -1.962 0.310 1.00 54.02 N ATOM 1145 CA GLY A 69 14.477 -1.045 -0.619 1.00 71.34 C ATOM 1146 C GLY A 69 13.833 -1.036 -1.999 1.00 5.22 C ATOM 1147 O GLY A 69 14.332 -0.370 -2.911 1.00 23.21 O ATOM 0 H GLY A 69 13.063 -1.549 0.843 1.00 54.02 H new ATOM 0 HA2 GLY A 69 14.448 -0.037 -0.205 1.00 71.34 H new ATOM 0 HA3 GLY A 69 15.527 -1.320 -0.717 1.00 71.34 H new ATOM 1151 N GLN A 70 12.723 -1.776 -2.150 1.00 55.02 N ATOM 1152 CA GLN A 70 12.012 -1.864 -3.425 1.00 4.10 C ATOM 1153 C GLN A 70 10.846 -0.877 -3.480 1.00 65.14 C ATOM 1154 O GLN A 70 10.155 -0.655 -2.482 1.00 64.15 O ATOM 1155 CB GLN A 70 11.496 -3.292 -3.657 1.00 54.10 C ATOM 1156 CG GLN A 70 11.229 -3.621 -5.121 1.00 53.24 C ATOM 1157 CD GLN A 70 10.500 -4.936 -5.311 1.00 75.44 C ATOM 1158 OE1 GLN A 70 9.181 -4.866 -5.446 1.00 62.23 O flip ATOM 1159 NE2 GLN A 70 11.117 -6.001 -5.354 1.00 4.25 N flip ATOM 0 H GLN A 70 12.301 -2.322 -1.399 1.00 55.02 H new ATOM 0 HA GLN A 70 12.718 -1.606 -4.214 1.00 4.10 H new ATOM 0 HB2 GLN A 70 12.225 -4.000 -3.263 1.00 54.10 H new ATOM 0 HB3 GLN A 70 10.576 -3.432 -3.089 1.00 54.10 H new ATOM 0 HG2 GLN A 70 10.641 -2.819 -5.566 1.00 53.24 H new ATOM 0 HG3 GLN A 70 12.177 -3.657 -5.658 1.00 53.24 H new ATOM 0 HE21 GLN A 70 12.131 -6.008 -5.245 1.00 4.25 H new ATOM 0 HE22 GLN A 70 10.614 -6.876 -5.498 1.00 4.25 H new ATOM 1168 N ARG A 71 10.653 -0.297 -4.665 1.00 33.42 N ATOM 1169 CA ARG A 71 9.569 0.653 -4.911 1.00 34.40 C ATOM 1170 C ARG A 71 8.659 0.110 -6.019 1.00 60.34 C ATOM 1171 O ARG A 71 9.046 0.073 -7.193 1.00 3.51 O ATOM 1172 CB ARG A 71 10.147 2.029 -5.291 1.00 73.14 C ATOM 1173 CG ARG A 71 9.177 3.193 -5.101 1.00 14.30 C ATOM 1174 CD ARG A 71 8.951 3.941 -6.405 1.00 71.52 C ATOM 1175 NE ARG A 71 7.949 5.002 -6.263 1.00 3.22 N ATOM 1176 CZ ARG A 71 7.867 6.085 -7.051 1.00 32.00 C ATOM 1177 NH1 ARG A 71 8.724 6.276 -8.052 1.00 54.01 N ATOM 1178 NH2 ARG A 71 6.917 6.983 -6.831 1.00 42.24 N ATOM 0 H ARG A 71 11.242 -0.472 -5.479 1.00 33.42 H new ATOM 0 HA ARG A 71 8.977 0.778 -4.004 1.00 34.40 H new ATOM 0 HB2 ARG A 71 11.039 2.213 -4.692 1.00 73.14 H new ATOM 0 HB3 ARG A 71 10.463 2.002 -6.334 1.00 73.14 H new ATOM 0 HG2 ARG A 71 8.225 2.818 -4.724 1.00 14.30 H new ATOM 0 HG3 ARG A 71 9.570 3.878 -4.350 1.00 14.30 H new ATOM 0 HD2 ARG A 71 9.893 4.374 -6.742 1.00 71.52 H new ATOM 0 HD3 ARG A 71 8.629 3.239 -7.174 1.00 71.52 H new ATOM 0 HE ARG A 71 7.265 4.910 -5.512 1.00 3.22 H new ATOM 0 HH11 ARG A 71 9.460 5.592 -8.231 1.00 54.01 H new ATOM 0 HH12 ARG A 71 8.645 7.106 -8.640 1.00 54.01 H new ATOM 0 HH21 ARG A 71 6.255 6.848 -6.067 1.00 42.24 H new ATOM 0 HH22 ARG A 71 6.848 7.809 -7.426 1.00 42.24 H new ATOM 1192 N ALA A 72 7.455 -0.325 -5.628 1.00 5.10 N ATOM 1193 CA ALA A 72 6.488 -0.887 -6.573 1.00 53.23 C ATOM 1194 C ALA A 72 5.099 -0.269 -6.401 1.00 61.04 C ATOM 1195 O ALA A 72 4.756 0.208 -5.314 1.00 32.53 O ATOM 1196 CB ALA A 72 6.417 -2.400 -6.408 1.00 53.11 C ATOM 0 H ALA A 72 7.129 -0.298 -4.662 1.00 5.10 H new ATOM 0 HA ALA A 72 6.830 -0.648 -7.580 1.00 53.23 H new ATOM 0 HB1 ALA A 72 5.695 -2.810 -7.115 1.00 53.11 H new ATOM 0 HB2 ALA A 72 7.399 -2.833 -6.600 1.00 53.11 H new ATOM 0 HB3 ALA A 72 6.106 -2.641 -5.391 1.00 53.11 H new HETATM 1202 N MLY A 73 4.309 -0.285 -7.485 1.00 72.40 N HETATM 1203 CA MLY A 73 2.954 0.259 -7.477 1.00 10.44 C HETATM 1204 CB MLY A 73 2.720 1.069 -8.757 1.00 42.22 C HETATM 1205 CG MLY A 73 1.655 2.159 -8.629 1.00 32.23 C HETATM 1206 CD MLY A 73 1.618 3.069 -9.856 1.00 43.41 C HETATM 1207 CE MLY A 73 0.744 2.495 -10.967 1.00 12.10 C HETATM 1208 NZ MLY A 73 0.830 3.349 -12.164 1.00 24.53 N HETATM 1209 CH1 MLY A 73 -0.509 3.847 -12.514 1.00 62.33 C HETATM 1210 CH2 MLY A 73 1.368 2.571 -13.290 1.00 20.10 C HETATM 1211 C MLY A 73 1.931 -0.871 -7.365 1.00 30.22 C HETATM 1212 O MLY A 73 1.991 -1.844 -8.123 1.00 52.40 O HETATM 0 HH23 MLY A 73 2.362 2.204 -13.036 1.00 20.10 H new HETATM 0 HH22 MLY A 73 0.711 1.726 -13.496 1.00 20.10 H new HETATM 0 HH21 MLY A 73 1.430 3.206 -14.174 1.00 20.10 H new HETATM 0 HH13 MLY A 73 -1.169 3.004 -12.718 1.00 62.33 H new HETATM 0 HH12 MLY A 73 -0.910 4.428 -11.683 1.00 62.33 H new HETATM 0 HH11 MLY A 73 -0.442 4.479 -13.400 1.00 62.33 H new HETATM 0 HG3 MLY A 73 0.678 1.697 -8.491 1.00 32.23 H new HETATM 0 HG2 MLY A 73 1.853 2.757 -7.740 1.00 32.23 H new HETATM 0 HE3 MLY A 73 1.066 1.482 -11.208 1.00 12.10 H new HETATM 0 HE2 MLY A 73 -0.291 2.429 -10.630 1.00 12.10 H new HETATM 0 HD3 MLY A 73 1.241 4.050 -9.568 1.00 43.41 H new HETATM 0 HD2 MLY A 73 2.631 3.214 -10.230 1.00 43.41 H new HETATM 0 HB3 MLY A 73 3.661 1.531 -9.057 1.00 42.22 H new HETATM 0 HB2 MLY A 73 2.430 0.387 -9.556 1.00 42.22 H new HETATM 0 HA MLY A 73 2.835 0.915 -6.615 1.00 10.44 H new HETATM 0 H MLY A 73 4.930 -0.096 -8.272 1.00 72.40 H new ATOM 1229 N LEU A 74 0.998 -0.731 -6.419 1.00 74.52 N ATOM 1230 CA LEU A 74 -0.038 -1.745 -6.201 1.00 74.33 C ATOM 1231 C LEU A 74 -1.412 -1.221 -6.605 1.00 30.42 C ATOM 1232 O LEU A 74 -1.846 -0.162 -6.143 1.00 24.14 O ATOM 1233 CB LEU A 74 -0.082 -2.218 -4.731 1.00 54.31 C ATOM 1234 CG LEU A 74 1.155 -1.920 -3.874 1.00 51.21 C ATOM 1235 CD1 LEU A 74 0.978 -0.597 -3.144 1.00 53.33 C ATOM 1236 CD2 LEU A 74 1.411 -3.052 -2.884 1.00 45.42 C ATOM 0 H LEU A 74 0.939 0.072 -5.793 1.00 74.52 H new ATOM 0 HA LEU A 74 0.222 -2.597 -6.829 1.00 74.33 H new ATOM 0 HB2 LEU A 74 -0.947 -1.759 -4.252 1.00 54.31 H new ATOM 0 HB3 LEU A 74 -0.249 -3.295 -4.725 1.00 54.31 H new ATOM 0 HG LEU A 74 2.023 -1.843 -4.529 1.00 51.21 H new ATOM 0 HD11 LEU A 74 1.861 -0.395 -2.538 1.00 53.33 H new ATOM 0 HD12 LEU A 74 0.845 0.204 -3.871 1.00 53.33 H new ATOM 0 HD13 LEU A 74 0.101 -0.652 -2.499 1.00 53.33 H new ATOM 0 HD21 LEU A 74 2.293 -2.820 -2.286 1.00 45.42 H new ATOM 0 HD22 LEU A 74 0.547 -3.164 -2.228 1.00 45.42 H new ATOM 0 HD23 LEU A 74 1.576 -3.981 -3.429 1.00 45.42 H new ATOM 1248 N THR A 75 -2.083 -1.981 -7.478 1.00 22.43 N ATOM 1249 CA THR A 75 -3.421 -1.642 -7.959 1.00 34.30 C ATOM 1250 C THR A 75 -4.471 -2.340 -7.090 1.00 11.12 C ATOM 1251 O THR A 75 -4.568 -3.572 -7.087 1.00 0.33 O ATOM 1252 CB THR A 75 -3.607 -2.051 -9.445 1.00 53.12 C ATOM 1253 OG1 THR A 75 -2.446 -1.687 -10.203 1.00 4.44 O ATOM 1254 CG2 THR A 75 -4.835 -1.386 -10.064 1.00 22.41 C ATOM 0 H THR A 75 -1.712 -2.847 -7.869 1.00 22.43 H new ATOM 0 HA THR A 75 -3.546 -0.561 -7.890 1.00 34.30 H new ATOM 0 HB THR A 75 -3.750 -3.131 -9.471 1.00 53.12 H new ATOM 0 HG1 THR A 75 -1.705 -2.287 -9.975 1.00 4.44 H new ATOM 0 HG21 THR A 75 -4.932 -1.697 -11.104 1.00 22.41 H new ATOM 0 HG22 THR A 75 -5.727 -1.683 -9.512 1.00 22.41 H new ATOM 0 HG23 THR A 75 -4.724 -0.303 -10.018 1.00 22.41 H new ATOM 1262 N ILE A 76 -5.241 -1.540 -6.353 1.00 31.12 N ATOM 1263 CA ILE A 76 -6.275 -2.065 -5.466 1.00 1.42 C ATOM 1264 C ILE A 76 -7.659 -1.820 -6.058 1.00 60.35 C ATOM 1265 O ILE A 76 -7.909 -0.788 -6.686 1.00 13.12 O ATOM 1266 CB ILE A 76 -6.188 -1.442 -4.033 1.00 70.02 C ATOM 1267 CG1 ILE A 76 -4.711 -1.333 -3.543 1.00 70.21 C ATOM 1268 CG2 ILE A 76 -7.049 -2.225 -3.030 1.00 75.11 C ATOM 1269 CD1 ILE A 76 -3.959 -2.651 -3.364 1.00 11.52 C ATOM 0 H ILE A 76 -5.167 -0.523 -6.354 1.00 31.12 H new ATOM 0 HA ILE A 76 -6.107 -3.138 -5.372 1.00 1.42 H new ATOM 0 HB ILE A 76 -6.588 -0.430 -4.095 1.00 70.02 H new ATOM 0 HG12 ILE A 76 -4.159 -0.718 -4.254 1.00 70.21 H new ATOM 0 HG13 ILE A 76 -4.705 -0.803 -2.590 1.00 70.21 H new ATOM 0 HG21 ILE A 76 -6.967 -1.767 -2.044 1.00 75.11 H new ATOM 0 HG22 ILE A 76 -8.090 -2.207 -3.353 1.00 75.11 H new ATOM 0 HG23 ILE A 76 -6.702 -3.257 -2.980 1.00 75.11 H new ATOM 0 HD11 ILE A 76 -2.945 -2.447 -3.021 1.00 11.52 H new ATOM 0 HD12 ILE A 76 -4.475 -3.267 -2.627 1.00 11.52 H new ATOM 0 HD13 ILE A 76 -3.921 -3.180 -4.316 1.00 11.52 H new ATOM 1281 N SER A 77 -8.538 -2.792 -5.844 1.00 11.11 N ATOM 1282 CA SER A 77 -9.914 -2.737 -6.330 1.00 42.11 C ATOM 1283 C SER A 77 -10.889 -2.464 -5.177 1.00 43.15 C ATOM 1284 O SER A 77 -10.527 -2.656 -4.014 1.00 74.23 O ATOM 1285 CB SER A 77 -10.281 -4.053 -7.041 1.00 53.42 C ATOM 1286 OG SER A 77 -9.483 -5.136 -6.591 1.00 32.12 O ATOM 0 H SER A 77 -8.317 -3.643 -5.327 1.00 11.11 H new ATOM 0 HA SER A 77 -9.993 -1.917 -7.044 1.00 42.11 H new ATOM 0 HB2 SER A 77 -11.333 -4.279 -6.866 1.00 53.42 H new ATOM 0 HB3 SER A 77 -10.156 -3.932 -8.117 1.00 53.42 H new ATOM 0 HG SER A 77 -8.609 -5.104 -7.033 1.00 32.12 H new ATOM 1292 N PRO A 78 -12.152 -2.009 -5.471 1.00 14.41 N ATOM 1293 CA PRO A 78 -13.163 -1.721 -4.429 1.00 50.11 C ATOM 1294 C PRO A 78 -13.532 -2.950 -3.587 1.00 62.43 C ATOM 1295 O PRO A 78 -14.099 -2.814 -2.504 1.00 15.12 O ATOM 1296 CB PRO A 78 -14.386 -1.231 -5.218 1.00 32.31 C ATOM 1297 CG PRO A 78 -14.168 -1.681 -6.622 1.00 23.43 C ATOM 1298 CD PRO A 78 -12.686 -1.736 -6.825 1.00 55.53 C ATOM 0 HA PRO A 78 -12.783 -0.995 -3.710 1.00 50.11 H new ATOM 0 HB2 PRO A 78 -15.307 -1.649 -4.812 1.00 32.31 H new ATOM 0 HB3 PRO A 78 -14.477 -0.146 -5.164 1.00 32.31 H new ATOM 0 HG2 PRO A 78 -14.619 -2.659 -6.791 1.00 23.43 H new ATOM 0 HG3 PRO A 78 -14.631 -0.991 -7.327 1.00 23.43 H new ATOM 0 HD2 PRO A 78 -12.408 -2.520 -7.530 1.00 55.53 H new ATOM 0 HD3 PRO A 78 -12.302 -0.797 -7.224 1.00 55.53 H new ATOM 1306 N ASP A 79 -13.199 -4.141 -4.100 1.00 12.13 N ATOM 1307 CA ASP A 79 -13.473 -5.403 -3.410 1.00 63.51 C ATOM 1308 C ASP A 79 -12.350 -5.755 -2.426 1.00 41.14 C ATOM 1309 O ASP A 79 -12.578 -6.471 -1.447 1.00 2.04 O ATOM 1310 CB ASP A 79 -13.645 -6.523 -4.433 1.00 74.51 C ATOM 1311 CG ASP A 79 -15.095 -6.738 -4.819 1.00 73.03 C ATOM 1312 OD1 ASP A 79 -15.773 -7.547 -4.150 1.00 41.30 O ATOM 1313 OD2 ASP A 79 -15.553 -6.098 -5.788 1.00 45.33 O ATOM 0 H ASP A 79 -12.734 -4.255 -5.001 1.00 12.13 H new ATOM 0 HA ASP A 79 -14.394 -5.287 -2.839 1.00 63.51 H new ATOM 0 HB2 ASP A 79 -13.066 -6.288 -5.326 1.00 74.51 H new ATOM 0 HB3 ASP A 79 -13.240 -7.449 -4.025 1.00 74.51 H new ATOM 1318 N TYR A 80 -11.144 -5.242 -2.702 1.00 23.22 N ATOM 1319 CA TYR A 80 -9.974 -5.476 -1.847 1.00 53.15 C ATOM 1320 C TYR A 80 -9.678 -4.266 -0.960 1.00 65.53 C ATOM 1321 O TYR A 80 -8.978 -4.390 0.049 1.00 12.33 O ATOM 1322 CB TYR A 80 -8.736 -5.794 -2.697 1.00 14.24 C ATOM 1323 CG TYR A 80 -8.520 -7.273 -2.954 1.00 54.54 C ATOM 1324 CD1 TYR A 80 -7.418 -7.934 -2.420 1.00 24.12 C ATOM 1325 CD2 TYR A 80 -9.415 -8.011 -3.725 1.00 35.12 C ATOM 1326 CE1 TYR A 80 -7.217 -9.281 -2.646 1.00 2.42 C ATOM 1327 CE2 TYR A 80 -9.219 -9.358 -3.953 1.00 30.14 C ATOM 1328 CZ TYR A 80 -8.119 -9.988 -3.412 1.00 23.34 C ATOM 1329 OH TYR A 80 -7.920 -11.331 -3.638 1.00 73.03 O ATOM 0 H TYR A 80 -10.953 -4.658 -3.516 1.00 23.22 H new ATOM 0 HA TYR A 80 -10.207 -6.329 -1.209 1.00 53.15 H new ATOM 0 HB2 TYR A 80 -8.825 -5.280 -3.654 1.00 14.24 H new ATOM 0 HB3 TYR A 80 -7.854 -5.391 -2.199 1.00 14.24 H new ATOM 0 HD1 TYR A 80 -6.709 -7.384 -1.819 1.00 24.12 H new ATOM 0 HD2 TYR A 80 -10.277 -7.521 -4.152 1.00 35.12 H new ATOM 0 HE1 TYR A 80 -6.356 -9.779 -2.224 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -9.924 -9.915 -4.552 1.00 30.14 H new ATOM 0 HH TYR A 80 -8.646 -11.680 -4.196 1.00 73.03 H new ATOM 1339 N ALA A 81 -10.218 -3.099 -1.345 1.00 54.11 N ATOM 1340 CA ALA A 81 -10.004 -1.855 -0.603 1.00 1.04 C ATOM 1341 C ALA A 81 -10.983 -1.688 0.569 1.00 31.52 C ATOM 1342 O ALA A 81 -10.558 -1.628 1.723 1.00 11.01 O ATOM 1343 CB ALA A 81 -10.084 -0.664 -1.551 1.00 23.45 C ATOM 0 H ALA A 81 -10.808 -2.995 -2.170 1.00 54.11 H new ATOM 0 HA ALA A 81 -9.006 -1.903 -0.167 1.00 1.04 H new ATOM 0 HB1 ALA A 81 -9.924 0.258 -0.992 1.00 23.45 H new ATOM 0 HB2 ALA A 81 -9.318 -0.759 -2.320 1.00 23.45 H new ATOM 0 HB3 ALA A 81 -11.068 -0.638 -2.020 1.00 23.45 H new ATOM 1349 N TYR A 82 -12.291 -1.619 0.275 1.00 35.34 N ATOM 1350 CA TYR A 82 -13.306 -1.437 1.321 1.00 21.22 C ATOM 1351 C TYR A 82 -14.493 -2.382 1.124 1.00 64.31 C ATOM 1352 O TYR A 82 -14.874 -3.105 2.050 1.00 12.00 O ATOM 1353 CB TYR A 82 -13.788 0.026 1.350 1.00 60.11 C ATOM 1354 CG TYR A 82 -12.693 1.031 1.657 1.00 23.55 C ATOM 1355 CD1 TYR A 82 -11.884 1.541 0.644 1.00 60.20 C ATOM 1356 CD2 TYR A 82 -12.470 1.469 2.956 1.00 2.31 C ATOM 1357 CE1 TYR A 82 -10.886 2.457 0.921 1.00 51.12 C ATOM 1358 CE2 TYR A 82 -11.474 2.385 3.239 1.00 74.54 C ATOM 1359 CZ TYR A 82 -10.686 2.876 2.220 1.00 74.23 C ATOM 1360 OH TYR A 82 -9.694 3.788 2.499 1.00 54.35 O ATOM 0 H TYR A 82 -12.667 -1.686 -0.671 1.00 35.34 H new ATOM 0 HA TYR A 82 -12.843 -1.679 2.278 1.00 21.22 H new ATOM 0 HB2 TYR A 82 -14.231 0.271 0.385 1.00 60.11 H new ATOM 0 HB3 TYR A 82 -14.576 0.123 2.097 1.00 60.11 H new ATOM 0 HD1 TYR A 82 -12.039 1.216 -0.374 1.00 60.20 H new ATOM 0 HD2 TYR A 82 -13.085 1.088 3.758 1.00 2.31 H new ATOM 0 HE1 TYR A 82 -10.266 2.842 0.125 1.00 51.12 H new ATOM 0 HE2 TYR A 82 -11.314 2.715 4.255 1.00 74.54 H new ATOM 0 HH TYR A 82 -9.686 3.979 3.460 1.00 54.35 H new ATOM 1370 N GLY A 83 -15.066 -2.366 -0.084 1.00 3.43 N ATOM 1371 CA GLY A 83 -16.205 -3.214 -0.401 1.00 10.01 C ATOM 1372 C GLY A 83 -17.097 -2.596 -1.458 1.00 71.34 C ATOM 1373 O GLY A 83 -16.603 -1.995 -2.417 1.00 23.23 O ATOM 0 H GLY A 83 -14.755 -1.773 -0.854 1.00 3.43 H new ATOM 0 HA2 GLY A 83 -15.849 -4.184 -0.749 1.00 10.01 H new ATOM 0 HA3 GLY A 83 -16.786 -3.394 0.504 1.00 10.01 H new ATOM 1377 N ALA A 84 -18.412 -2.743 -1.279 1.00 25.11 N ATOM 1378 CA ALA A 84 -19.393 -2.192 -2.215 1.00 33.53 C ATOM 1379 C ALA A 84 -19.922 -0.833 -1.743 1.00 20.43 C ATOM 1380 O ALA A 84 -20.594 -0.126 -2.501 1.00 51.55 O ATOM 1381 CB ALA A 84 -20.541 -3.172 -2.411 1.00 43.40 C ATOM 0 H ALA A 84 -18.823 -3.242 -0.490 1.00 25.11 H new ATOM 0 HA ALA A 84 -18.892 -2.036 -3.170 1.00 33.53 H new ATOM 0 HB1 ALA A 84 -21.264 -2.750 -3.109 1.00 43.40 H new ATOM 0 HB2 ALA A 84 -20.155 -4.110 -2.811 1.00 43.40 H new ATOM 0 HB3 ALA A 84 -21.028 -3.359 -1.454 1.00 43.40 H new ATOM 1387 N THR A 85 -19.608 -0.478 -0.490 1.00 42.23 N ATOM 1388 CA THR A 85 -20.041 0.790 0.095 1.00 52.23 C ATOM 1389 C THR A 85 -18.901 1.819 0.054 1.00 53.03 C ATOM 1390 O THR A 85 -19.041 2.878 -0.566 1.00 62.14 O ATOM 1391 CB THR A 85 -20.534 0.594 1.556 1.00 63.55 C ATOM 1392 OG1 THR A 85 -21.298 -0.615 1.660 1.00 4.10 O ATOM 1393 CG2 THR A 85 -21.394 1.766 2.023 1.00 23.54 C ATOM 0 H THR A 85 -19.052 -1.058 0.138 1.00 42.23 H new ATOM 0 HA THR A 85 -20.875 1.164 -0.499 1.00 52.23 H new ATOM 0 HB THR A 85 -19.651 0.537 2.193 1.00 63.55 H new ATOM 0 HG1 THR A 85 -21.603 -0.731 2.584 1.00 4.10 H new ATOM 0 HG21 THR A 85 -21.720 1.592 3.049 1.00 23.54 H new ATOM 0 HG22 THR A 85 -20.811 2.686 1.978 1.00 23.54 H new ATOM 0 HG23 THR A 85 -22.266 1.858 1.376 1.00 23.54 H new ATOM 1401 N GLY A 86 -17.778 1.495 0.720 1.00 73.04 N ATOM 1402 CA GLY A 86 -16.620 2.388 0.759 1.00 62.01 C ATOM 1403 C GLY A 86 -16.832 3.605 1.649 1.00 41.14 C ATOM 1404 O GLY A 86 -17.780 3.643 2.441 1.00 62.55 O ATOM 0 H GLY A 86 -17.654 0.623 1.235 1.00 73.04 H new ATOM 0 HA2 GLY A 86 -15.752 1.832 1.115 1.00 62.01 H new ATOM 0 HA3 GLY A 86 -16.392 2.721 -0.253 1.00 62.01 H new ATOM 1408 N HIS A 87 -15.943 4.595 1.514 1.00 12.34 N ATOM 1409 CA HIS A 87 -16.027 5.831 2.291 1.00 52.22 C ATOM 1410 C HIS A 87 -16.707 6.931 1.455 1.00 53.50 C ATOM 1411 O HIS A 87 -16.240 7.234 0.353 1.00 4.31 O ATOM 1412 CB HIS A 87 -14.627 6.281 2.734 1.00 33.04 C ATOM 1413 CG HIS A 87 -14.624 7.170 3.945 1.00 43.33 C ATOM 1414 ND1 HIS A 87 -14.184 6.771 5.188 1.00 62.14 N ATOM 1415 CD2 HIS A 87 -15.015 8.464 4.084 1.00 34.33 C ATOM 1416 CE1 HIS A 87 -14.318 7.810 6.024 1.00 71.03 C ATOM 1417 NE2 HIS A 87 -14.817 8.861 5.404 1.00 2.31 N ATOM 0 H HIS A 87 -15.153 4.561 0.869 1.00 12.34 H new ATOM 0 HA HIS A 87 -16.626 5.647 3.183 1.00 52.22 H new ATOM 0 HB2 HIS A 87 -14.022 5.398 2.943 1.00 33.04 H new ATOM 0 HB3 HIS A 87 -14.148 6.808 1.909 1.00 33.04 H new ATOM 0 HD2 HIS A 87 -15.415 9.085 3.297 1.00 34.33 H new ATOM 0 HE1 HIS A 87 -14.052 7.789 7.070 1.00 71.03 H new ATOM 0 HE2 HIS A 87 -15.017 9.776 5.808 1.00 2.31 H new ATOM 1425 N PRO A 88 -17.814 7.559 1.960 1.00 43.33 N ATOM 1426 CA PRO A 88 -18.537 8.606 1.211 1.00 44.10 C ATOM 1427 C PRO A 88 -17.749 9.917 1.070 1.00 24.12 C ATOM 1428 O PRO A 88 -17.318 10.505 2.068 1.00 52.53 O ATOM 1429 CB PRO A 88 -19.816 8.824 2.032 1.00 3.31 C ATOM 1430 CG PRO A 88 -19.480 8.384 3.417 1.00 11.32 C ATOM 1431 CD PRO A 88 -18.446 7.298 3.282 1.00 31.53 C ATOM 0 HA PRO A 88 -18.721 8.296 0.182 1.00 44.10 H new ATOM 0 HB2 PRO A 88 -20.119 9.871 2.015 1.00 3.31 H new ATOM 0 HB3 PRO A 88 -20.646 8.245 1.627 1.00 3.31 H new ATOM 0 HG2 PRO A 88 -19.094 9.216 4.005 1.00 11.32 H new ATOM 0 HG3 PRO A 88 -20.366 8.014 3.932 1.00 11.32 H new ATOM 0 HD2 PRO A 88 -17.714 7.342 4.089 1.00 31.53 H new ATOM 0 HD3 PRO A 88 -18.901 6.308 3.318 1.00 31.53 H new ATOM 1439 N GLY A 89 -17.566 10.349 -0.183 1.00 63.23 N ATOM 1440 CA GLY A 89 -16.848 11.584 -0.461 1.00 34.40 C ATOM 1441 C GLY A 89 -15.468 11.358 -1.055 1.00 12.22 C ATOM 1442 O GLY A 89 -15.113 11.991 -2.054 1.00 23.13 O ATOM 0 H GLY A 89 -17.905 9.860 -1.012 1.00 63.23 H new ATOM 0 HA2 GLY A 89 -17.437 12.191 -1.149 1.00 34.40 H new ATOM 0 HA3 GLY A 89 -16.749 12.154 0.463 1.00 34.40 H new ATOM 1446 N ILE A 90 -14.693 10.457 -0.440 1.00 11.03 N ATOM 1447 CA ILE A 90 -13.330 10.162 -0.900 1.00 12.54 C ATOM 1448 C ILE A 90 -13.284 8.879 -1.745 1.00 61.23 C ATOM 1449 O ILE A 90 -12.751 8.891 -2.859 1.00 42.54 O ATOM 1450 CB ILE A 90 -12.327 10.039 0.289 1.00 64.12 C ATOM 1451 CG1 ILE A 90 -12.580 11.139 1.333 1.00 73.33 C ATOM 1452 CG2 ILE A 90 -10.881 10.120 -0.214 1.00 3.31 C ATOM 1453 CD1 ILE A 90 -12.298 10.708 2.756 1.00 60.20 C ATOM 0 H ILE A 90 -14.985 9.920 0.376 1.00 11.03 H new ATOM 0 HA ILE A 90 -13.028 11.005 -1.521 1.00 12.54 H new ATOM 0 HB ILE A 90 -12.483 9.068 0.760 1.00 64.12 H new ATOM 0 HG12 ILE A 90 -11.959 12.002 1.095 1.00 73.33 H new ATOM 0 HG13 ILE A 90 -13.618 11.464 1.261 1.00 73.33 H new ATOM 0 HG21 ILE A 90 -10.197 10.032 0.630 1.00 3.31 H new ATOM 0 HG22 ILE A 90 -10.695 9.309 -0.918 1.00 3.31 H new ATOM 0 HG23 ILE A 90 -10.722 11.076 -0.712 1.00 3.31 H new ATOM 0 HD11 ILE A 90 -12.500 11.537 3.434 1.00 60.20 H new ATOM 0 HD12 ILE A 90 -12.938 9.864 3.014 1.00 60.20 H new ATOM 0 HD13 ILE A 90 -11.253 10.412 2.846 1.00 60.20 H new ATOM 1465 N ILE A 91 -13.843 7.787 -1.211 1.00 33.14 N ATOM 1466 CA ILE A 91 -13.837 6.495 -1.902 1.00 30.21 C ATOM 1467 C ILE A 91 -15.256 6.116 -2.383 1.00 51.24 C ATOM 1468 O ILE A 91 -16.058 5.597 -1.598 1.00 52.40 O ATOM 1469 CB ILE A 91 -13.252 5.355 -0.997 1.00 70.43 C ATOM 1470 CG1 ILE A 91 -11.947 5.791 -0.267 1.00 74.32 C ATOM 1471 CG2 ILE A 91 -13.016 4.066 -1.798 1.00 53.23 C ATOM 1472 CD1 ILE A 91 -10.806 6.284 -1.159 1.00 2.32 C ATOM 0 H ILE A 91 -14.305 7.774 -0.302 1.00 33.14 H new ATOM 0 HA ILE A 91 -13.189 6.601 -2.772 1.00 30.21 H new ATOM 0 HB ILE A 91 -14.002 5.152 -0.233 1.00 70.43 H new ATOM 0 HG12 ILE A 91 -12.197 6.584 0.438 1.00 74.32 H new ATOM 0 HG13 ILE A 91 -11.584 4.947 0.319 1.00 74.32 H new ATOM 0 HG21 ILE A 91 -12.610 3.298 -1.140 1.00 53.23 H new ATOM 0 HG22 ILE A 91 -13.960 3.721 -2.219 1.00 53.23 H new ATOM 0 HG23 ILE A 91 -12.309 4.263 -2.604 1.00 53.23 H new ATOM 0 HD11 ILE A 91 -9.952 6.559 -0.539 1.00 2.32 H new ATOM 0 HD12 ILE A 91 -10.514 5.491 -1.848 1.00 2.32 H new ATOM 0 HD13 ILE A 91 -11.137 7.154 -1.726 1.00 2.32 H new ATOM 1484 N PRO A 92 -15.592 6.369 -3.685 1.00 65.32 N ATOM 1485 CA PRO A 92 -16.915 6.025 -4.243 1.00 52.13 C ATOM 1486 C PRO A 92 -17.108 4.501 -4.428 1.00 22.44 C ATOM 1487 O PRO A 92 -16.128 3.752 -4.373 1.00 33.23 O ATOM 1488 CB PRO A 92 -16.931 6.749 -5.597 1.00 2.33 C ATOM 1489 CG PRO A 92 -15.502 6.885 -5.983 1.00 52.44 C ATOM 1490 CD PRO A 92 -14.731 7.032 -4.699 1.00 13.45 C ATOM 0 HA PRO A 92 -17.726 6.324 -3.579 1.00 52.13 H new ATOM 0 HB2 PRO A 92 -17.488 6.180 -6.341 1.00 2.33 H new ATOM 0 HB3 PRO A 92 -17.412 7.724 -5.517 1.00 2.33 H new ATOM 0 HG2 PRO A 92 -15.165 6.012 -6.541 1.00 52.44 H new ATOM 0 HG3 PRO A 92 -15.354 7.752 -6.627 1.00 52.44 H new ATOM 0 HD2 PRO A 92 -13.752 6.556 -4.764 1.00 13.45 H new ATOM 0 HD3 PRO A 92 -14.560 8.080 -4.454 1.00 13.45 H new ATOM 1498 N PRO A 93 -18.370 4.019 -4.650 1.00 53.53 N ATOM 1499 CA PRO A 93 -18.650 2.580 -4.831 1.00 52.41 C ATOM 1500 C PRO A 93 -18.224 2.048 -6.206 1.00 70.11 C ATOM 1501 O PRO A 93 -18.348 2.748 -7.214 1.00 21.32 O ATOM 1502 CB PRO A 93 -20.173 2.497 -4.671 1.00 64.31 C ATOM 1503 CG PRO A 93 -20.685 3.833 -5.093 1.00 30.24 C ATOM 1504 CD PRO A 93 -19.613 4.830 -4.734 1.00 73.21 C ATOM 0 HA PRO A 93 -18.091 1.971 -4.120 1.00 52.41 H new ATOM 0 HB2 PRO A 93 -20.591 1.702 -5.289 1.00 64.31 H new ATOM 0 HB3 PRO A 93 -20.449 2.278 -3.640 1.00 64.31 H new ATOM 0 HG2 PRO A 93 -20.889 3.851 -6.164 1.00 30.24 H new ATOM 0 HG3 PRO A 93 -21.621 4.069 -4.586 1.00 30.24 H new ATOM 0 HD2 PRO A 93 -19.528 5.611 -5.489 1.00 73.21 H new ATOM 0 HD3 PRO A 93 -19.830 5.324 -3.787 1.00 73.21 H new ATOM 1512 N HIS A 94 -17.719 0.796 -6.227 1.00 21.21 N ATOM 1513 CA HIS A 94 -17.260 0.115 -7.465 1.00 45.34 C ATOM 1514 C HIS A 94 -16.171 0.929 -8.198 1.00 60.20 C ATOM 1515 O HIS A 94 -16.176 1.044 -9.431 1.00 61.45 O ATOM 1516 CB HIS A 94 -18.451 -0.183 -8.407 1.00 53.42 C ATOM 1517 CG HIS A 94 -19.512 -1.045 -7.789 1.00 13.53 C ATOM 1518 ND1 HIS A 94 -19.441 -2.418 -7.714 1.00 25.22 N ATOM 1519 CD2 HIS A 94 -20.686 -0.698 -7.202 1.00 61.31 C ATOM 1520 CE1 HIS A 94 -20.549 -2.854 -7.098 1.00 14.10 C ATOM 1521 NE2 HIS A 94 -21.337 -1.849 -6.767 1.00 70.34 N ATOM 0 H HIS A 94 -17.616 0.225 -5.388 1.00 21.21 H new ATOM 0 HA HIS A 94 -16.813 -0.833 -7.166 1.00 45.34 H new ATOM 0 HB2 HIS A 94 -18.899 0.760 -8.720 1.00 53.42 H new ATOM 0 HB3 HIS A 94 -18.077 -0.672 -9.306 1.00 53.42 H new ATOM 0 HD2 HIS A 94 -21.056 0.310 -7.090 1.00 61.31 H new ATOM 0 HE1 HIS A 94 -20.768 -3.893 -6.899 1.00 14.10 H new ATOM 0 HE2 HIS A 94 -22.237 -1.904 -6.291 1.00 70.34 H new ATOM 1529 N ALA A 95 -15.229 1.474 -7.417 1.00 4.51 N ATOM 1530 CA ALA A 95 -14.140 2.285 -7.957 1.00 71.05 C ATOM 1531 C ALA A 95 -12.778 1.725 -7.575 1.00 4.34 C ATOM 1532 O ALA A 95 -12.526 1.394 -6.413 1.00 71.42 O ATOM 1533 CB ALA A 95 -14.275 3.725 -7.483 1.00 13.05 C ATOM 0 H ALA A 95 -15.203 1.364 -6.403 1.00 4.51 H new ATOM 0 HA ALA A 95 -14.212 2.258 -9.044 1.00 71.05 H new ATOM 0 HB1 ALA A 95 -13.458 4.320 -7.891 1.00 13.05 H new ATOM 0 HB2 ALA A 95 -15.227 4.132 -7.824 1.00 13.05 H new ATOM 0 HB3 ALA A 95 -14.237 3.755 -6.394 1.00 13.05 H new ATOM 1539 N THR A 96 -11.910 1.629 -8.585 1.00 34.22 N ATOM 1540 CA THR A 96 -10.542 1.124 -8.431 1.00 13.14 C ATOM 1541 C THR A 96 -9.608 2.226 -7.907 1.00 22.22 C ATOM 1542 O THR A 96 -9.719 3.388 -8.309 1.00 73.11 O ATOM 1543 CB THR A 96 -10.014 0.579 -9.782 1.00 32.40 C ATOM 1544 OG1 THR A 96 -11.016 -0.238 -10.402 1.00 74.25 O ATOM 1545 CG2 THR A 96 -8.739 -0.246 -9.611 1.00 64.35 C ATOM 0 H THR A 96 -12.138 1.902 -9.541 1.00 34.22 H new ATOM 0 HA THR A 96 -10.560 0.312 -7.704 1.00 13.14 H new ATOM 0 HB THR A 96 -9.781 1.440 -10.408 1.00 32.40 H new ATOM 0 HG1 THR A 96 -11.467 0.275 -11.105 1.00 74.25 H new ATOM 0 HG21 THR A 96 -8.406 -0.607 -10.584 1.00 64.35 H new ATOM 0 HG22 THR A 96 -7.960 0.375 -9.169 1.00 64.35 H new ATOM 0 HG23 THR A 96 -8.940 -1.095 -8.958 1.00 64.35 H new ATOM 1553 N LEU A 97 -8.698 1.835 -7.010 1.00 71.52 N ATOM 1554 CA LEU A 97 -7.742 2.761 -6.405 1.00 52.44 C ATOM 1555 C LEU A 97 -6.304 2.356 -6.729 1.00 25.12 C ATOM 1556 O LEU A 97 -6.022 1.178 -6.974 1.00 65.13 O ATOM 1557 CB LEU A 97 -7.940 2.800 -4.882 1.00 65.44 C ATOM 1558 CG LEU A 97 -9.363 3.130 -4.403 1.00 4.14 C ATOM 1559 CD1 LEU A 97 -9.652 2.431 -3.087 1.00 14.14 C ATOM 1560 CD2 LEU A 97 -9.559 4.631 -4.263 1.00 45.25 C ATOM 0 H LEU A 97 -8.605 0.872 -6.686 1.00 71.52 H new ATOM 0 HA LEU A 97 -7.921 3.753 -6.820 1.00 52.44 H new ATOM 0 HB2 LEU A 97 -7.654 1.831 -4.472 1.00 65.44 H new ATOM 0 HB3 LEU A 97 -7.255 3.538 -4.464 1.00 65.44 H new ATOM 0 HG LEU A 97 -10.066 2.768 -5.154 1.00 4.14 H new ATOM 0 HD11 LEU A 97 -10.663 2.674 -2.760 1.00 14.14 H new ATOM 0 HD12 LEU A 97 -9.563 1.353 -3.220 1.00 14.14 H new ATOM 0 HD13 LEU A 97 -8.938 2.763 -2.334 1.00 14.14 H new ATOM 0 HD21 LEU A 97 -10.574 4.835 -3.923 1.00 45.25 H new ATOM 0 HD22 LEU A 97 -8.847 5.025 -3.538 1.00 45.25 H new ATOM 0 HD23 LEU A 97 -9.396 5.111 -5.228 1.00 45.25 H new ATOM 1572 N VAL A 98 -5.405 3.345 -6.724 1.00 33.31 N ATOM 1573 CA VAL A 98 -3.983 3.121 -7.010 1.00 60.04 C ATOM 1574 C VAL A 98 -3.140 3.590 -5.821 1.00 55.00 C ATOM 1575 O VAL A 98 -3.321 4.704 -5.328 1.00 63.34 O ATOM 1576 CB VAL A 98 -3.527 3.862 -8.309 1.00 0.44 C ATOM 1577 CG1 VAL A 98 -2.093 3.497 -8.696 1.00 51.44 C ATOM 1578 CG2 VAL A 98 -4.467 3.565 -9.475 1.00 72.32 C ATOM 0 H VAL A 98 -5.639 4.317 -6.523 1.00 33.31 H new ATOM 0 HA VAL A 98 -3.838 2.053 -7.171 1.00 60.04 H new ATOM 0 HB VAL A 98 -3.563 4.929 -8.090 1.00 0.44 H new ATOM 0 HG11 VAL A 98 -1.814 4.032 -9.603 1.00 51.44 H new ATOM 0 HG12 VAL A 98 -1.416 3.775 -7.888 1.00 51.44 H new ATOM 0 HG13 VAL A 98 -2.026 2.424 -8.873 1.00 51.44 H new ATOM 0 HG21 VAL A 98 -4.123 4.095 -10.364 1.00 72.32 H new ATOM 0 HG22 VAL A 98 -4.475 2.493 -9.672 1.00 72.32 H new ATOM 0 HG23 VAL A 98 -5.475 3.895 -9.223 1.00 72.32 H new ATOM 1588 N PHE A 99 -2.228 2.726 -5.371 1.00 53.41 N ATOM 1589 CA PHE A 99 -1.346 3.037 -4.245 1.00 43.43 C ATOM 1590 C PHE A 99 0.100 2.712 -4.593 1.00 54.24 C ATOM 1591 O PHE A 99 0.386 1.641 -5.134 1.00 52.42 O ATOM 1592 CB PHE A 99 -1.760 2.249 -2.999 1.00 34.44 C ATOM 1593 CG PHE A 99 -3.068 2.679 -2.399 1.00 35.13 C ATOM 1594 CD1 PHE A 99 -4.249 2.074 -2.792 1.00 2.50 C ATOM 1595 CD2 PHE A 99 -3.117 3.674 -1.436 1.00 32.20 C ATOM 1596 CE1 PHE A 99 -5.456 2.452 -2.239 1.00 43.45 C ATOM 1597 CE2 PHE A 99 -4.322 4.059 -0.880 1.00 71.30 C ATOM 1598 CZ PHE A 99 -5.494 3.446 -1.282 1.00 42.42 C ATOM 0 H PHE A 99 -2.081 1.800 -5.772 1.00 53.41 H new ATOM 0 HA PHE A 99 -1.433 4.103 -4.036 1.00 43.43 H new ATOM 0 HB2 PHE A 99 -1.823 1.192 -3.257 1.00 34.44 H new ATOM 0 HB3 PHE A 99 -0.979 2.348 -2.245 1.00 34.44 H new ATOM 0 HD1 PHE A 99 -4.226 1.296 -3.541 1.00 2.50 H new ATOM 0 HD2 PHE A 99 -2.204 4.154 -1.117 1.00 32.20 H new ATOM 0 HE1 PHE A 99 -6.370 1.970 -2.555 1.00 43.45 H new ATOM 0 HE2 PHE A 99 -4.348 4.838 -0.132 1.00 71.30 H new ATOM 0 HZ PHE A 99 -6.437 3.744 -0.848 1.00 42.42 H new ATOM 1608 N ASP A 100 1.001 3.647 -4.287 1.00 61.54 N ATOM 1609 CA ASP A 100 2.425 3.465 -4.551 1.00 40.34 C ATOM 1610 C ASP A 100 3.208 3.454 -3.234 1.00 51.50 C ATOM 1611 O ASP A 100 3.440 4.506 -2.626 1.00 33.42 O ATOM 1612 CB ASP A 100 2.938 4.569 -5.490 1.00 33.13 C ATOM 1613 CG ASP A 100 4.185 4.160 -6.255 1.00 31.24 C ATOM 1614 OD1 ASP A 100 4.046 3.650 -7.387 1.00 54.54 O ATOM 1615 OD2 ASP A 100 5.298 4.350 -5.722 1.00 62.02 O ATOM 0 H ASP A 100 0.766 4.540 -3.855 1.00 61.54 H new ATOM 0 HA ASP A 100 2.575 2.505 -5.045 1.00 40.34 H new ATOM 0 HB2 ASP A 100 2.152 4.831 -6.199 1.00 33.13 H new ATOM 0 HB3 ASP A 100 3.153 5.465 -4.907 1.00 33.13 H new ATOM 1620 N VAL A 101 3.593 2.250 -2.793 1.00 2.04 N ATOM 1621 CA VAL A 101 4.350 2.092 -1.547 1.00 60.42 C ATOM 1622 C VAL A 101 5.822 1.804 -1.831 1.00 12.12 C ATOM 1623 O VAL A 101 6.167 1.264 -2.887 1.00 50.32 O ATOM 1624 CB VAL A 101 3.761 0.989 -0.606 1.00 11.15 C ATOM 1625 CG1 VAL A 101 2.311 1.292 -0.245 1.00 31.41 C ATOM 1626 CG2 VAL A 101 3.867 -0.415 -1.207 1.00 41.23 C ATOM 0 H VAL A 101 3.394 1.375 -3.278 1.00 2.04 H new ATOM 0 HA VAL A 101 4.263 3.043 -1.021 1.00 60.42 H new ATOM 0 HB VAL A 101 4.366 1.005 0.300 1.00 11.15 H new ATOM 0 HG11 VAL A 101 1.928 0.509 0.409 1.00 31.41 H new ATOM 0 HG12 VAL A 101 2.257 2.252 0.268 1.00 31.41 H new ATOM 0 HG13 VAL A 101 1.710 1.331 -1.154 1.00 31.41 H new ATOM 0 HG21 VAL A 101 3.444 -1.141 -0.513 1.00 41.23 H new ATOM 0 HG22 VAL A 101 3.318 -0.450 -2.148 1.00 41.23 H new ATOM 0 HG23 VAL A 101 4.915 -0.655 -1.389 1.00 41.23 H new ATOM 1636 N GLU A 102 6.671 2.171 -0.876 1.00 33.11 N ATOM 1637 CA GLU A 102 8.113 1.956 -0.992 1.00 1.22 C ATOM 1638 C GLU A 102 8.654 1.284 0.267 1.00 51.22 C ATOM 1639 O GLU A 102 8.466 1.790 1.377 1.00 12.21 O ATOM 1640 CB GLU A 102 8.860 3.279 -1.278 1.00 41.11 C ATOM 1641 CG GLU A 102 8.535 4.433 -0.329 1.00 34.12 C ATOM 1642 CD GLU A 102 9.299 5.698 -0.666 1.00 72.23 C ATOM 1643 OE1 GLU A 102 10.417 5.876 -0.139 1.00 62.13 O ATOM 1644 OE2 GLU A 102 8.779 6.512 -1.458 1.00 41.33 O ATOM 0 H GLU A 102 6.385 2.622 -0.007 1.00 33.11 H new ATOM 0 HA GLU A 102 8.288 1.293 -1.840 1.00 1.22 H new ATOM 0 HB2 GLU A 102 9.932 3.088 -1.236 1.00 41.11 H new ATOM 0 HB3 GLU A 102 8.631 3.593 -2.296 1.00 41.11 H new ATOM 0 HG2 GLU A 102 7.465 4.638 -0.366 1.00 34.12 H new ATOM 0 HG3 GLU A 102 8.767 4.134 0.693 1.00 34.12 H new ATOM 1651 N LEU A 103 9.340 0.151 0.075 1.00 24.24 N ATOM 1652 CA LEU A 103 9.923 -0.622 1.178 1.00 4.34 C ATOM 1653 C LEU A 103 11.155 0.104 1.742 1.00 3.51 C ATOM 1654 O LEU A 103 12.234 0.084 1.138 1.00 64.00 O ATOM 1655 CB LEU A 103 10.316 -2.027 0.662 1.00 3.14 C ATOM 1656 CG LEU A 103 9.867 -3.274 1.473 1.00 43.24 C ATOM 1657 CD1 LEU A 103 10.318 -3.225 2.929 1.00 32.51 C ATOM 1658 CD2 LEU A 103 8.360 -3.483 1.386 1.00 21.32 C ATOM 0 H LEU A 103 9.506 -0.255 -0.846 1.00 24.24 H new ATOM 0 HA LEU A 103 9.190 -0.723 1.978 1.00 4.34 H new ATOM 0 HB2 LEU A 103 9.920 -2.130 -0.348 1.00 3.14 H new ATOM 0 HB3 LEU A 103 11.403 -2.058 0.584 1.00 3.14 H new ATOM 0 HG LEU A 103 10.362 -4.129 1.013 1.00 43.24 H new ATOM 0 HD11 LEU A 103 9.976 -4.121 3.446 1.00 32.51 H new ATOM 0 HD12 LEU A 103 11.406 -3.174 2.971 1.00 32.51 H new ATOM 0 HD13 LEU A 103 9.895 -2.344 3.412 1.00 32.51 H new ATOM 0 HD21 LEU A 103 8.081 -4.364 1.965 1.00 21.32 H new ATOM 0 HD22 LEU A 103 7.848 -2.608 1.786 1.00 21.32 H new ATOM 0 HD23 LEU A 103 8.072 -3.627 0.345 1.00 21.32 H new ATOM 1670 N LEU A 104 10.973 0.773 2.889 1.00 4.14 N ATOM 1671 CA LEU A 104 12.051 1.526 3.531 1.00 44.13 C ATOM 1672 C LEU A 104 12.837 0.650 4.511 1.00 0.54 C ATOM 1673 O LEU A 104 14.050 0.480 4.358 1.00 14.41 O ATOM 1674 CB LEU A 104 11.476 2.765 4.249 1.00 71.51 C ATOM 1675 CG LEU A 104 10.532 3.642 3.405 1.00 54.14 C ATOM 1676 CD1 LEU A 104 9.582 4.424 4.296 1.00 73.51 C ATOM 1677 CD2 LEU A 104 11.323 4.590 2.514 1.00 62.23 C ATOM 0 H LEU A 104 10.085 0.806 3.390 1.00 4.14 H new ATOM 0 HA LEU A 104 12.744 1.856 2.757 1.00 44.13 H new ATOM 0 HB2 LEU A 104 10.938 2.432 5.136 1.00 71.51 H new ATOM 0 HB3 LEU A 104 12.306 3.382 4.593 1.00 71.51 H new ATOM 0 HG LEU A 104 9.943 2.983 2.767 1.00 54.14 H new ATOM 0 HD11 LEU A 104 8.925 5.036 3.678 1.00 73.51 H new ATOM 0 HD12 LEU A 104 8.983 3.731 4.886 1.00 73.51 H new ATOM 0 HD13 LEU A 104 10.156 5.067 4.964 1.00 73.51 H new ATOM 0 HD21 LEU A 104 10.634 5.198 1.928 1.00 62.23 H new ATOM 0 HD22 LEU A 104 11.943 5.238 3.133 1.00 62.23 H new ATOM 0 HD23 LEU A 104 11.959 4.013 1.842 1.00 62.23 H new HETATM 1689 N MLY A 105 12.136 0.098 5.517 1.00 1.45 N HETATM 1690 CA MLY A 105 12.752 -0.766 6.537 1.00 43.20 C HETATM 1691 CB MLY A 105 13.639 0.059 7.507 1.00 74.32 C HETATM 1692 CG MLY A 105 12.908 1.146 8.299 1.00 22.12 C HETATM 1693 CD MLY A 105 13.869 2.179 8.880 1.00 71.52 C HETATM 1694 CE MLY A 105 14.067 1.977 10.376 1.00 2.14 C HETATM 1695 NZ MLY A 105 14.996 2.993 10.899 1.00 24.33 N HETATM 1696 CH1 MLY A 105 16.174 2.332 11.484 1.00 41.55 C HETATM 1697 CH2 MLY A 105 14.322 3.792 11.934 1.00 22.51 C HETATM 1698 C MLY A 105 11.679 -1.560 7.300 1.00 74.02 C HETATM 1699 O MLY A 105 10.479 -1.316 7.131 1.00 23.23 O HETATM 0 HH23 MLY A 105 13.451 4.286 11.503 1.00 22.51 H new HETATM 0 HH22 MLY A 105 14.004 3.140 12.747 1.00 22.51 H new HETATM 0 HH21 MLY A 105 15.011 4.543 12.320 1.00 22.51 H new HETATM 0 HH13 MLY A 105 15.858 1.678 12.297 1.00 41.55 H new HETATM 0 HH12 MLY A 105 16.678 1.742 10.718 1.00 41.55 H new HETATM 0 HH11 MLY A 105 16.860 3.086 11.870 1.00 41.55 H new HETATM 0 HG3 MLY A 105 12.189 1.646 7.649 1.00 22.12 H new HETATM 0 HG2 MLY A 105 12.340 0.685 9.107 1.00 22.12 H new HETATM 0 HE3 MLY A 105 13.109 2.047 10.891 1.00 2.14 H new HETATM 0 HE2 MLY A 105 14.460 0.979 10.568 1.00 2.14 H new HETATM 0 HD3 MLY A 105 14.831 2.109 8.372 1.00 71.52 H new HETATM 0 HD2 MLY A 105 13.483 3.181 8.695 1.00 71.52 H new HETATM 0 HB3 MLY A 105 14.111 -0.625 8.212 1.00 74.32 H new HETATM 0 HB2 MLY A 105 14.439 0.527 6.933 1.00 74.32 H new HETATM 0 HA MLY A 105 13.399 -1.481 6.029 1.00 43.20 H new ATOM 1716 N LEU A 106 12.127 -2.502 8.136 1.00 51.44 N ATOM 1717 CA LEU A 106 11.221 -3.337 8.929 1.00 50.34 C ATOM 1718 C LEU A 106 11.572 -3.257 10.410 1.00 15.14 C ATOM 1719 O LEU A 106 12.746 -3.120 10.769 1.00 24.35 O ATOM 1720 CB LEU A 106 11.278 -4.803 8.462 1.00 64.41 C ATOM 1721 CG LEU A 106 11.084 -5.043 6.954 1.00 43.31 C ATOM 1722 CD1 LEU A 106 11.642 -6.402 6.560 1.00 23.33 C ATOM 1723 CD2 LEU A 106 9.613 -4.947 6.564 1.00 3.23 C ATOM 0 H LEU A 106 13.116 -2.705 8.281 1.00 51.44 H new ATOM 0 HA LEU A 106 10.209 -2.960 8.784 1.00 50.34 H new ATOM 0 HB2 LEU A 106 12.243 -5.218 8.754 1.00 64.41 H new ATOM 0 HB3 LEU A 106 10.513 -5.364 9.000 1.00 64.41 H new ATOM 0 HG LEU A 106 11.628 -4.265 6.418 1.00 43.31 H new ATOM 0 HD11 LEU A 106 11.498 -6.558 5.491 1.00 23.33 H new ATOM 0 HD12 LEU A 106 12.706 -6.439 6.792 1.00 23.33 H new ATOM 0 HD13 LEU A 106 11.122 -7.183 7.114 1.00 23.33 H new ATOM 0 HD21 LEU A 106 9.508 -5.121 5.493 1.00 3.23 H new ATOM 0 HD22 LEU A 106 9.042 -5.697 7.111 1.00 3.23 H new ATOM 0 HD23 LEU A 106 9.236 -3.954 6.809 1.00 3.23 H new ATOM 1735 N GLU A 107 10.545 -3.345 11.262 1.00 12.24 N ATOM 1736 CA GLU A 107 10.734 -3.284 12.713 1.00 25.05 C ATOM 1737 C GLU A 107 10.082 -4.483 13.394 1.00 14.04 C ATOM 1738 O GLU A 107 10.766 -5.336 13.960 1.00 15.01 O ATOM 1739 CB GLU A 107 10.156 -1.983 13.284 1.00 65.53 C ATOM 1740 CG GLU A 107 10.910 -0.730 12.865 1.00 41.44 C ATOM 1741 CD GLU A 107 10.469 0.500 13.637 1.00 62.30 C ATOM 1742 OE1 GLU A 107 11.187 0.898 14.579 1.00 0.45 O ATOM 1743 OE2 GLU A 107 9.406 1.065 13.301 1.00 25.40 O ATOM 0 H GLU A 107 9.574 -3.459 10.970 1.00 12.24 H new ATOM 0 HA GLU A 107 11.806 -3.307 12.911 1.00 25.05 H new ATOM 0 HB2 GLU A 107 9.117 -1.891 12.968 1.00 65.53 H new ATOM 0 HB3 GLU A 107 10.154 -2.046 14.372 1.00 65.53 H new ATOM 0 HG2 GLU A 107 11.978 -0.886 13.015 1.00 41.44 H new ATOM 0 HG3 GLU A 107 10.760 -0.559 11.799 1.00 41.44 H new TER 1750 GLU A 107