USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 798 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 TYR OH : rot 35:sc= -12.8! USER MOD Set 1.2: A 94 HIS : no HE2:sc= -34.6! C(o=-47!,f=-51!) USER MOD Set 2.1: A 92 GLN :FLIP amide:sc= -2.09! C(o=-6!,f=-3.7!) USER MOD Set 2.2: A 95 GLN :FLIP amide:sc= -1.6! C(o=-4.7!,f=-3.7!) USER MOD Set 3.1: A 62 LYS NZ :NH3+ 171:sc= 0.89! (180deg=-1!) USER MOD Set 3.2: A 64 TYR OH : rot 0:sc= -1.68! USER MOD Set 4.1: A 48 SER OG : rot 30:sc= -7.07! USER MOD Set 4.2: A 63 HIS : no HD1:sc= -16! C(o=-23!,f=-32!) USER MOD Set 5.1: A 39 SER OG : rot 170:sc= -0.0826 USER MOD Set 5.2: A 44 THR OG1 : rot 75:sc= -2.62! USER MOD Set 5.3: A 46 THR OG1 : rot 65:sc= -3.14! USER MOD Set 5.4: A 65 HIS : no HE2:sc= -23.7! C(o=-30!,f=-42!) USER MOD Set 6.1: A 13 ASN : amide:sc= -24.5! C(o=-49!,f=-54!) USER MOD Set 6.2: A 35 MET CE :methyl -157:sc= -24.8! (180deg=-20.7!) USER MOD Set 7.1: A 28 THR OG1 : rot 150:sc= 1.01 USER MOD Set 7.2: A 30 LYS NZ :NH3+ 160:sc= -2.5! (180deg=-2.48!) USER MOD Single : A 8 THR OG1 : rot -3:sc= 1.05 USER MOD Single : A 9 TYR OH : rot -7:sc= -5.31! USER MOD Single : A 12 TYR OH : rot 180:sc= -0.304 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= -1.04! (180deg=-1.28!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -173:sc= -7.2! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -122:sc= -11.7! USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= -7.04! (180deg=-7.32!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.01! X(o=-1!,f=-0.54) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -82:sc= 0.00908 USER MOD Single : A 77 TYR OH : rot -14:sc= -2.09! USER MOD Single : A 81 LYS NZ :NH3+ -140:sc= -5.67! (180deg=-9.35!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0.0732 USER MOD Single : A 86 SER OG : rot 180:sc= -0.128 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 103 THR OG1 : rot -69:sc= 1.28 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -48:sc= 0.465 USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 6 -6.718 9.073 4.158 1.00 0.00 N ATOM 36 CA LEU A 6 -5.719 8.378 4.959 1.00 0.00 C ATOM 37 C LEU A 6 -4.889 9.362 5.774 1.00 0.00 C ATOM 38 O LEU A 6 -5.144 9.578 6.957 1.00 0.00 O ATOM 39 CB LEU A 6 -4.806 7.552 4.053 1.00 0.00 C ATOM 40 CG LEU A 6 -5.527 6.749 2.971 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.686 5.556 2.550 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.892 6.293 3.464 1.00 0.00 C ATOM 0 HA LEU A 6 -6.239 7.715 5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.093 8.222 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.230 6.864 4.672 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.674 7.392 2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.213 4.994 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.731 5.905 2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.510 4.912 3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.390 5.723 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.769 5.665 4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.496 7.164 3.719 1.00 0.00 H new ATOM 54 N GLU A 7 -3.898 9.956 5.129 1.00 0.00 N ATOM 55 CA GLU A 7 -3.019 10.917 5.778 1.00 0.00 C ATOM 56 C GLU A 7 -2.922 10.664 7.277 1.00 0.00 C ATOM 57 O GLU A 7 -3.128 11.568 8.086 1.00 0.00 O ATOM 58 CB GLU A 7 -3.501 12.344 5.517 1.00 0.00 C ATOM 59 CG GLU A 7 -5.011 12.460 5.395 1.00 0.00 C ATOM 60 CD GLU A 7 -5.436 13.338 4.234 1.00 0.00 C ATOM 61 OE1 GLU A 7 -4.844 13.207 3.142 1.00 0.00 O ATOM 62 OE2 GLU A 7 -6.362 14.157 4.417 1.00 0.00 O ATOM 0 H GLU A 7 -3.680 9.788 4.147 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.024 10.793 5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.159 12.988 6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.041 12.713 4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.439 11.466 5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.417 12.867 6.321 1.00 0.00 H new ATOM 69 N THR A 8 -2.599 9.429 7.638 1.00 0.00 N ATOM 70 CA THR A 8 -2.467 9.056 9.041 1.00 0.00 C ATOM 71 C THR A 8 -1.921 7.637 9.196 1.00 0.00 C ATOM 72 O THR A 8 -2.062 7.025 10.254 1.00 0.00 O ATOM 73 CB THR A 8 -3.820 9.164 9.738 1.00 0.00 C ATOM 74 OG1 THR A 8 -3.766 8.601 11.037 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.928 8.471 8.980 1.00 0.00 C ATOM 0 H THR A 8 -2.424 8.669 6.980 1.00 0.00 H new ATOM 0 HA THR A 8 -1.759 9.744 9.503 1.00 0.00 H new ATOM 0 HB THR A 8 -4.040 10.230 9.786 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.875 8.224 11.193 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.866 8.582 9.524 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.027 8.918 7.991 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.691 7.412 8.877 1.00 0.00 H new ATOM 83 N TYR A 9 -1.306 7.111 8.138 1.00 0.00 N ATOM 84 CA TYR A 9 -0.759 5.764 8.178 1.00 0.00 C ATOM 85 C TYR A 9 0.721 5.751 7.851 1.00 0.00 C ATOM 86 O TYR A 9 1.138 6.230 6.796 1.00 0.00 O ATOM 87 CB TYR A 9 -1.502 4.875 7.196 1.00 0.00 C ATOM 88 CG TYR A 9 -2.977 4.856 7.479 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.823 5.816 6.938 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.516 3.896 8.317 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.172 5.813 7.230 1.00 0.00 C ATOM 92 CE2 TYR A 9 -4.860 3.885 8.610 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.686 4.846 8.066 1.00 0.00 C ATOM 94 OH TYR A 9 -7.031 4.839 8.359 1.00 0.00 O ATOM 0 H TYR A 9 -1.177 7.596 7.250 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.886 5.385 9.192 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.330 5.230 6.180 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.107 3.861 7.251 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.421 6.573 6.281 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.872 3.144 8.748 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.821 6.565 6.805 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.267 3.127 9.263 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.451 5.644 7.989 1.00 0.00 H new ATOM 104 N GLU A 10 1.514 5.178 8.743 1.00 0.00 N ATOM 105 CA GLU A 10 2.941 5.086 8.513 1.00 0.00 C ATOM 106 C GLU A 10 3.180 4.710 7.066 1.00 0.00 C ATOM 107 O GLU A 10 4.234 4.980 6.501 1.00 0.00 O ATOM 108 CB GLU A 10 3.562 4.021 9.411 1.00 0.00 C ATOM 109 CG GLU A 10 2.534 3.114 10.049 1.00 0.00 C ATOM 110 CD GLU A 10 3.143 2.148 11.048 1.00 0.00 C ATOM 111 OE1 GLU A 10 4.138 1.481 10.695 1.00 0.00 O ATOM 112 OE2 GLU A 10 2.625 2.059 12.180 1.00 0.00 O ATOM 0 H GLU A 10 1.195 4.774 9.624 1.00 0.00 H new ATOM 0 HA GLU A 10 3.399 6.049 8.740 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.256 3.419 8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.145 4.508 10.193 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.781 3.722 10.551 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.021 2.549 9.270 1.00 0.00 H new ATOM 119 N TRP A 11 2.187 4.053 6.487 1.00 0.00 N ATOM 120 CA TRP A 11 2.270 3.590 5.119 1.00 0.00 C ATOM 121 C TRP A 11 1.708 4.595 4.115 1.00 0.00 C ATOM 122 O TRP A 11 2.182 4.672 2.983 1.00 0.00 O ATOM 123 CB TRP A 11 1.515 2.279 5.008 1.00 0.00 C ATOM 124 CG TRP A 11 0.153 2.322 5.642 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.216 1.863 6.881 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.034 2.830 5.040 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.571 2.050 7.067 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.089 2.647 5.950 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.299 3.424 3.814 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.392 3.036 5.660 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.589 3.811 3.524 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.623 3.614 4.443 1.00 0.00 C ATOM 0 H TRP A 11 1.308 3.829 6.953 1.00 0.00 H new ATOM 0 HA TRP A 11 3.324 3.460 4.873 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.410 2.016 3.955 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.102 1.489 5.477 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.454 1.421 7.604 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.099 1.787 7.899 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.506 3.581 3.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.192 2.887 6.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.804 4.274 2.572 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.625 3.925 4.187 1.00 0.00 H new ATOM 143 N TYR A 12 0.684 5.345 4.505 1.00 0.00 N ATOM 144 CA TYR A 12 0.077 6.304 3.587 1.00 0.00 C ATOM 145 C TYR A 12 0.990 7.480 3.291 1.00 0.00 C ATOM 146 O TYR A 12 1.613 8.052 4.186 1.00 0.00 O ATOM 147 CB TYR A 12 -1.254 6.828 4.115 1.00 0.00 C ATOM 148 CG TYR A 12 -2.016 7.624 3.077 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.614 6.988 1.998 1.00 0.00 C ATOM 150 CD2 TYR A 12 -2.135 9.006 3.171 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.311 7.704 1.044 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.832 9.729 2.220 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.418 9.073 1.160 1.00 0.00 C ATOM 154 OH TYR A 12 -4.112 9.788 0.211 1.00 0.00 O ATOM 0 H TYR A 12 0.262 5.311 5.433 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.094 5.756 2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.866 5.989 4.446 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.073 7.455 4.988 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.533 5.915 1.903 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.676 9.523 4.000 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.770 7.193 0.211 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.916 10.802 2.308 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.094 10.740 0.441 1.00 0.00 H new ATOM 164 N ASN A 13 1.042 7.842 2.016 1.00 0.00 N ATOM 165 CA ASN A 13 1.847 8.956 1.556 1.00 0.00 C ATOM 166 C ASN A 13 1.097 9.698 0.453 1.00 0.00 C ATOM 167 O ASN A 13 1.105 9.290 -0.707 1.00 0.00 O ATOM 168 CB ASN A 13 3.187 8.430 1.060 1.00 0.00 C ATOM 169 CG ASN A 13 3.944 7.722 2.169 1.00 0.00 C ATOM 170 OD1 ASN A 13 3.380 6.893 2.881 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.219 8.049 2.330 1.00 0.00 N ATOM 0 H ASN A 13 0.526 7.369 1.275 1.00 0.00 H new ATOM 0 HA ASN A 13 2.033 9.656 2.371 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.026 7.742 0.230 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.786 9.257 0.678 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.770 7.608 3.066 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.649 8.742 1.717 1.00 0.00 H new ATOM 178 N LYS A 14 0.416 10.771 0.843 1.00 0.00 N ATOM 179 CA LYS A 14 -0.384 11.562 -0.069 1.00 0.00 C ATOM 180 C LYS A 14 0.439 12.148 -1.219 1.00 0.00 C ATOM 181 O LYS A 14 0.543 11.547 -2.288 1.00 0.00 O ATOM 182 CB LYS A 14 -1.067 12.675 0.716 1.00 0.00 C ATOM 183 CG LYS A 14 -0.971 12.509 2.225 1.00 0.00 C ATOM 184 CD LYS A 14 -1.737 13.601 2.954 1.00 0.00 C ATOM 185 CE LYS A 14 -1.202 13.811 4.361 1.00 0.00 C ATOM 186 NZ LYS A 14 0.007 14.680 4.373 1.00 0.00 N ATOM 0 H LYS A 14 0.407 11.112 1.804 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.126 10.906 -0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.623 13.630 0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.118 12.716 0.430 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.365 11.534 2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.075 12.532 2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.666 14.533 2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.793 13.337 3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.978 14.260 4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.959 12.845 4.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.340 14.798 5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.757 14.239 3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.230 15.610 3.974 1.00 0.00 H new ATOM 200 N SER A 15 1.003 13.334 -0.999 1.00 0.00 N ATOM 201 CA SER A 15 1.797 14.017 -2.020 1.00 0.00 C ATOM 202 C SER A 15 2.841 13.096 -2.647 1.00 0.00 C ATOM 203 O SER A 15 3.527 13.479 -3.594 1.00 0.00 O ATOM 204 CB SER A 15 2.486 15.242 -1.416 1.00 0.00 C ATOM 205 OG SER A 15 3.077 14.932 -0.167 1.00 0.00 O ATOM 0 H SER A 15 0.925 13.844 -0.119 1.00 0.00 H new ATOM 0 HA SER A 15 1.113 14.329 -2.809 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.250 15.608 -2.102 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.760 16.045 -1.289 1.00 0.00 H new ATOM 0 HG SER A 15 3.512 15.731 0.197 1.00 0.00 H new ATOM 211 N ILE A 16 2.971 11.892 -2.108 1.00 0.00 N ATOM 212 CA ILE A 16 3.942 10.932 -2.602 1.00 0.00 C ATOM 213 C ILE A 16 3.709 10.535 -4.051 1.00 0.00 C ATOM 214 O ILE A 16 2.626 10.719 -4.605 1.00 0.00 O ATOM 215 CB ILE A 16 3.908 9.648 -1.770 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.231 9.457 -1.056 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.604 8.454 -2.662 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.624 8.005 -0.921 1.00 0.00 C ATOM 0 H ILE A 16 2.411 11.557 -1.324 1.00 0.00 H new ATOM 0 HA ILE A 16 4.907 11.434 -2.523 1.00 0.00 H new ATOM 0 HB ILE A 16 3.119 9.730 -1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.011 9.990 -1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.170 9.905 -0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.582 7.546 -2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.635 8.595 -3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.377 8.364 -3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.580 7.933 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.861 7.473 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.715 7.559 -1.911 1.00 0.00 H new ATOM 230 N SER A 17 4.747 9.947 -4.633 1.00 0.00 N ATOM 231 CA SER A 17 4.708 9.456 -5.999 1.00 0.00 C ATOM 232 C SER A 17 5.119 7.987 -6.018 1.00 0.00 C ATOM 233 O SER A 17 5.280 7.371 -4.964 1.00 0.00 O ATOM 234 CB SER A 17 5.632 10.278 -6.895 1.00 0.00 C ATOM 235 OG SER A 17 5.094 10.410 -8.200 1.00 0.00 O ATOM 0 H SER A 17 5.642 9.798 -4.166 1.00 0.00 H new ATOM 0 HA SER A 17 3.693 9.553 -6.384 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.782 11.266 -6.459 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.611 9.801 -6.948 1.00 0.00 H new ATOM 0 HG SER A 17 5.704 10.942 -8.753 1.00 0.00 H new ATOM 241 N ARG A 18 5.293 7.429 -7.206 1.00 0.00 N ATOM 242 CA ARG A 18 5.692 6.032 -7.332 1.00 0.00 C ATOM 243 C ARG A 18 7.169 5.839 -6.986 1.00 0.00 C ATOM 244 O ARG A 18 7.545 4.855 -6.349 1.00 0.00 O ATOM 245 CB ARG A 18 5.422 5.531 -8.752 1.00 0.00 C ATOM 246 CG ARG A 18 5.910 6.480 -9.834 1.00 0.00 C ATOM 247 CD ARG A 18 6.261 5.734 -11.111 1.00 0.00 C ATOM 248 NE ARG A 18 7.249 6.454 -11.911 1.00 0.00 N ATOM 249 CZ ARG A 18 6.937 7.209 -12.959 1.00 0.00 C ATOM 250 NH1 ARG A 18 5.671 7.344 -13.331 1.00 0.00 N ATOM 251 NH2 ARG A 18 7.892 7.832 -13.637 1.00 0.00 N ATOM 0 H ARG A 18 5.166 7.917 -8.093 1.00 0.00 H new ATOM 0 HA ARG A 18 5.099 5.452 -6.624 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.905 4.563 -8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.351 5.373 -8.875 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.139 7.221 -10.044 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.785 7.023 -9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.648 4.747 -10.859 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.358 5.581 -11.702 1.00 0.00 H new ATOM 0 HE ARG A 18 8.232 6.373 -11.651 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.933 6.867 -12.812 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.435 7.924 -14.136 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.867 7.732 -13.354 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.651 8.411 -14.441 1.00 0.00 H new ATOM 265 N ASP A 19 8.002 6.772 -7.436 1.00 0.00 N ATOM 266 CA ASP A 19 9.446 6.702 -7.207 1.00 0.00 C ATOM 267 C ASP A 19 9.845 7.019 -5.762 1.00 0.00 C ATOM 268 O ASP A 19 10.680 6.326 -5.182 1.00 0.00 O ATOM 269 CB ASP A 19 10.169 7.657 -8.156 1.00 0.00 C ATOM 270 CG ASP A 19 11.472 7.083 -8.674 1.00 0.00 C ATOM 271 OD1 ASP A 19 11.515 5.866 -8.953 1.00 0.00 O ATOM 272 OD2 ASP A 19 12.451 7.849 -8.802 1.00 0.00 O ATOM 0 H ASP A 19 7.702 7.591 -7.965 1.00 0.00 H new ATOM 0 HA ASP A 19 9.742 5.671 -7.401 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.518 7.889 -8.998 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.369 8.596 -7.639 1.00 0.00 H new ATOM 277 N LYS A 20 9.279 8.082 -5.197 1.00 0.00 N ATOM 278 CA LYS A 20 9.622 8.492 -3.836 1.00 0.00 C ATOM 279 C LYS A 20 9.388 7.378 -2.822 1.00 0.00 C ATOM 280 O LYS A 20 10.275 7.056 -2.025 1.00 0.00 O ATOM 281 CB LYS A 20 8.820 9.728 -3.432 1.00 0.00 C ATOM 282 CG LYS A 20 8.811 10.815 -4.490 1.00 0.00 C ATOM 283 CD LYS A 20 7.462 10.893 -5.182 1.00 0.00 C ATOM 284 CE LYS A 20 6.597 11.996 -4.593 1.00 0.00 C ATOM 285 NZ LYS A 20 7.388 12.934 -3.750 1.00 0.00 N ATOM 0 H LYS A 20 8.585 8.672 -5.656 1.00 0.00 H new ATOM 0 HA LYS A 20 10.686 8.728 -3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.793 9.431 -3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.233 10.134 -2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.044 11.776 -4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.590 10.617 -5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.608 11.073 -6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.948 9.937 -5.088 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.117 12.550 -5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.802 11.552 -3.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.779 13.717 -3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.756 12.428 -2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.182 13.313 -4.304 1.00 0.00 H new ATOM 299 N ALA A 21 8.195 6.793 -2.845 1.00 0.00 N ATOM 300 CA ALA A 21 7.869 5.727 -1.910 1.00 0.00 C ATOM 301 C ALA A 21 8.961 4.667 -1.901 1.00 0.00 C ATOM 302 O ALA A 21 9.479 4.300 -0.847 1.00 0.00 O ATOM 303 CB ALA A 21 6.517 5.112 -2.228 1.00 0.00 C ATOM 0 H ALA A 21 7.447 7.037 -3.494 1.00 0.00 H new ATOM 0 HA ALA A 21 7.808 6.162 -0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.301 4.319 -1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.745 5.878 -2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.534 4.697 -3.236 1.00 0.00 H new ATOM 309 N GLU A 22 9.335 4.189 -3.075 1.00 0.00 N ATOM 310 CA GLU A 22 10.387 3.189 -3.161 1.00 0.00 C ATOM 311 C GLU A 22 11.645 3.717 -2.482 1.00 0.00 C ATOM 312 O GLU A 22 12.257 3.037 -1.650 1.00 0.00 O ATOM 313 CB GLU A 22 10.680 2.834 -4.620 1.00 0.00 C ATOM 314 CG GLU A 22 9.497 2.208 -5.342 1.00 0.00 C ATOM 315 CD GLU A 22 9.908 1.061 -6.244 1.00 0.00 C ATOM 316 OE1 GLU A 22 11.110 0.958 -6.565 1.00 0.00 O ATOM 317 OE2 GLU A 22 9.026 0.266 -6.631 1.00 0.00 O ATOM 0 H GLU A 22 8.934 4.471 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 22 10.055 2.283 -2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.983 3.736 -5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.523 2.144 -4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.776 1.848 -4.608 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.993 2.970 -5.936 1.00 0.00 H new ATOM 324 N LYS A 23 12.008 4.952 -2.826 1.00 0.00 N ATOM 325 CA LYS A 23 13.174 5.596 -2.241 1.00 0.00 C ATOM 326 C LYS A 23 13.026 5.646 -0.729 1.00 0.00 C ATOM 327 O LYS A 23 13.911 5.209 0.008 1.00 0.00 O ATOM 328 CB LYS A 23 13.340 7.011 -2.798 1.00 0.00 C ATOM 329 CG LYS A 23 12.902 8.101 -1.834 1.00 0.00 C ATOM 330 CD LYS A 23 13.543 9.436 -2.174 1.00 0.00 C ATOM 331 CE LYS A 23 12.505 10.541 -2.286 1.00 0.00 C ATOM 332 NZ LYS A 23 12.750 11.418 -3.463 1.00 0.00 N ATOM 0 H LYS A 23 11.509 5.523 -3.507 1.00 0.00 H new ATOM 0 HA LYS A 23 14.061 5.017 -2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.386 7.169 -3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.764 7.100 -3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.817 8.199 -1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.169 7.817 -0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.272 9.697 -1.406 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.087 9.350 -3.114 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.512 10.099 -2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.516 11.142 -1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.020 12.158 -3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.687 11.860 -3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.714 10.849 -4.333 1.00 0.00 H new ATOM 346 N LEU A 24 11.891 6.163 -0.270 1.00 0.00 N ATOM 347 CA LEU A 24 11.622 6.246 1.160 1.00 0.00 C ATOM 348 C LEU A 24 11.577 4.849 1.760 1.00 0.00 C ATOM 349 O LEU A 24 12.022 4.625 2.885 1.00 0.00 O ATOM 350 CB LEU A 24 10.295 6.957 1.418 1.00 0.00 C ATOM 351 CG LEU A 24 9.156 6.558 0.482 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.508 5.253 0.932 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.125 7.672 0.404 1.00 0.00 C ATOM 0 H LEU A 24 11.147 6.529 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 24 12.423 6.818 1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.988 6.759 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.454 8.032 1.335 1.00 0.00 H new ATOM 0 HG LEU A 24 9.571 6.397 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.700 4.993 0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.254 4.458 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.106 5.374 1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.318 7.375 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.719 7.863 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.597 8.578 0.025 1.00 0.00 H new ATOM 365 N LEU A 25 11.031 3.912 0.993 1.00 0.00 N ATOM 366 CA LEU A 25 10.921 2.531 1.433 1.00 0.00 C ATOM 367 C LEU A 25 12.299 1.903 1.578 1.00 0.00 C ATOM 368 O LEU A 25 12.646 1.382 2.638 1.00 0.00 O ATOM 369 CB LEU A 25 10.079 1.727 0.442 1.00 0.00 C ATOM 370 CG LEU A 25 8.566 1.880 0.607 1.00 0.00 C ATOM 371 CD1 LEU A 25 7.883 1.920 -0.750 1.00 0.00 C ATOM 372 CD2 LEU A 25 8.007 0.749 1.455 1.00 0.00 C ATOM 0 H LEU A 25 10.657 4.087 0.060 1.00 0.00 H new ATOM 0 HA LEU A 25 10.431 2.518 2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.351 2.027 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.336 0.672 0.542 1.00 0.00 H new ATOM 0 HG LEU A 25 8.368 2.822 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.807 2.029 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.263 2.765 -1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.088 0.994 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.929 0.873 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.216 -0.205 0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.474 0.767 2.440 1.00 0.00 H new ATOM 384 N LEU A 26 13.086 1.958 0.508 1.00 0.00 N ATOM 385 CA LEU A 26 14.429 1.394 0.526 1.00 0.00 C ATOM 386 C LEU A 26 15.295 2.084 1.575 1.00 0.00 C ATOM 387 O LEU A 26 16.236 1.495 2.104 1.00 0.00 O ATOM 388 CB LEU A 26 15.067 1.521 -0.854 1.00 0.00 C ATOM 389 CG LEU A 26 14.173 1.066 -2.005 1.00 0.00 C ATOM 390 CD1 LEU A 26 14.000 2.181 -3.023 1.00 0.00 C ATOM 391 CD2 LEU A 26 14.743 -0.180 -2.665 1.00 0.00 C ATOM 0 H LEU A 26 12.818 2.386 -0.378 1.00 0.00 H new ATOM 0 HA LEU A 26 14.356 0.339 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.348 2.562 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.987 0.936 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 26 13.192 0.820 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.360 1.836 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.542 3.045 -2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.974 2.462 -3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.092 -0.489 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.737 0.037 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.809 -0.983 -1.931 1.00 0.00 H new ATOM 403 N ASP A 27 14.964 3.336 1.872 1.00 0.00 N ATOM 404 CA ASP A 27 15.705 4.108 2.861 1.00 0.00 C ATOM 405 C ASP A 27 15.304 3.705 4.278 1.00 0.00 C ATOM 406 O ASP A 27 16.067 3.888 5.225 1.00 0.00 O ATOM 407 CB ASP A 27 15.464 5.605 2.657 1.00 0.00 C ATOM 408 CG ASP A 27 16.217 6.455 3.662 1.00 0.00 C ATOM 409 OD1 ASP A 27 15.796 6.497 4.837 1.00 0.00 O ATOM 410 OD2 ASP A 27 17.228 7.076 3.274 1.00 0.00 O ATOM 0 H ASP A 27 14.187 3.837 1.441 1.00 0.00 H new ATOM 0 HA ASP A 27 16.766 3.897 2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.768 5.885 1.648 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.397 5.813 2.737 1.00 0.00 H new ATOM 415 N THR A 28 14.099 3.159 4.412 1.00 0.00 N ATOM 416 CA THR A 28 13.592 2.737 5.713 1.00 0.00 C ATOM 417 C THR A 28 14.223 1.416 6.146 1.00 0.00 C ATOM 418 O THR A 28 14.632 1.261 7.297 1.00 0.00 O ATOM 419 CB THR A 28 12.067 2.611 5.666 1.00 0.00 C ATOM 420 OG1 THR A 28 11.488 3.088 6.866 1.00 0.00 O ATOM 421 CG2 THR A 28 11.575 1.196 5.450 1.00 0.00 C ATOM 0 H THR A 28 13.456 2.999 3.636 1.00 0.00 H new ATOM 0 HA THR A 28 13.863 3.495 6.448 1.00 0.00 H new ATOM 0 HB THR A 28 11.762 3.211 4.809 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.597 3.451 6.678 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.485 1.189 5.429 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.959 0.818 4.503 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.926 0.561 6.263 1.00 0.00 H new ATOM 429 N GLY A 29 14.299 0.466 5.219 1.00 0.00 N ATOM 430 CA GLY A 29 14.880 -0.827 5.531 1.00 0.00 C ATOM 431 C GLY A 29 13.954 -1.689 6.366 1.00 0.00 C ATOM 432 O GLY A 29 14.295 -2.083 7.481 1.00 0.00 O ATOM 0 H GLY A 29 13.969 0.568 4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.120 -1.348 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.818 -0.681 6.067 1.00 0.00 H new ATOM 436 N LYS A 30 12.776 -1.976 5.824 1.00 0.00 N ATOM 437 CA LYS A 30 11.786 -2.791 6.520 1.00 0.00 C ATOM 438 C LYS A 30 11.384 -4.007 5.703 1.00 0.00 C ATOM 439 O LYS A 30 11.093 -3.894 4.512 1.00 0.00 O ATOM 440 CB LYS A 30 10.542 -1.965 6.819 1.00 0.00 C ATOM 441 CG LYS A 30 10.677 -1.089 8.042 1.00 0.00 C ATOM 442 CD LYS A 30 12.014 -0.369 8.079 1.00 0.00 C ATOM 443 CE LYS A 30 11.969 0.828 9.013 1.00 0.00 C ATOM 444 NZ LYS A 30 10.832 1.739 8.701 1.00 0.00 N ATOM 0 H LYS A 30 12.482 -1.655 4.901 1.00 0.00 H new ATOM 0 HA LYS A 30 12.243 -3.132 7.449 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.317 -1.338 5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.694 -2.637 6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.870 -0.357 8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.568 -1.699 8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.792 -1.059 8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.280 -0.040 7.075 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.883 0.481 10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.906 1.380 8.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.627 2.334 9.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.083 2.344 7.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.991 1.176 8.463 1.00 0.00 H new ATOM 458 N GLU A 31 11.338 -5.165 6.350 1.00 0.00 N ATOM 459 CA GLU A 31 10.933 -6.380 5.666 1.00 0.00 C ATOM 460 C GLU A 31 9.469 -6.260 5.272 1.00 0.00 C ATOM 461 O GLU A 31 8.582 -6.295 6.126 1.00 0.00 O ATOM 462 CB GLU A 31 11.141 -7.600 6.565 1.00 0.00 C ATOM 463 CG GLU A 31 10.454 -8.856 6.056 1.00 0.00 C ATOM 464 CD GLU A 31 10.050 -9.796 7.176 1.00 0.00 C ATOM 465 OE1 GLU A 31 10.918 -10.136 8.007 1.00 0.00 O ATOM 466 OE2 GLU A 31 8.866 -10.191 7.221 1.00 0.00 O ATOM 0 H GLU A 31 11.573 -5.285 7.335 1.00 0.00 H new ATOM 0 HA GLU A 31 11.544 -6.512 4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.210 -7.793 6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.769 -7.372 7.564 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.569 -8.575 5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.122 -9.379 5.371 1.00 0.00 H new ATOM 473 N GLY A 32 9.220 -6.093 3.982 1.00 0.00 N ATOM 474 CA GLY A 32 7.860 -5.942 3.511 1.00 0.00 C ATOM 475 C GLY A 32 7.303 -4.571 3.840 1.00 0.00 C ATOM 476 O GLY A 32 6.095 -4.411 4.022 1.00 0.00 O ATOM 0 H GLY A 32 9.934 -6.059 3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.829 -6.099 2.433 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.231 -6.709 3.963 1.00 0.00 H new ATOM 480 N ALA A 33 8.186 -3.576 3.909 1.00 0.00 N ATOM 481 CA ALA A 33 7.777 -2.215 4.207 1.00 0.00 C ATOM 482 C ALA A 33 6.538 -1.873 3.409 1.00 0.00 C ATOM 483 O ALA A 33 6.407 -2.280 2.254 1.00 0.00 O ATOM 484 CB ALA A 33 8.901 -1.240 3.907 1.00 0.00 C ATOM 0 H ALA A 33 9.189 -3.692 3.762 1.00 0.00 H new ATOM 0 HA ALA A 33 7.545 -2.136 5.269 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.574 -0.226 4.137 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.770 -1.488 4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.167 -1.305 2.852 1.00 0.00 H new ATOM 490 N PHE A 34 5.616 -1.156 4.027 1.00 0.00 N ATOM 491 CA PHE A 34 4.377 -0.812 3.355 1.00 0.00 C ATOM 492 C PHE A 34 4.085 0.679 3.351 1.00 0.00 C ATOM 493 O PHE A 34 4.294 1.378 4.337 1.00 0.00 O ATOM 494 CB PHE A 34 3.217 -1.533 4.008 1.00 0.00 C ATOM 495 CG PHE A 34 1.912 -0.850 3.732 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.462 -0.703 2.434 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.144 -0.334 4.754 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.276 -0.056 2.164 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.029 0.308 4.489 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.470 0.453 3.198 1.00 0.00 C ATOM 0 H PHE A 34 5.700 -0.805 4.981 1.00 0.00 H new ATOM 0 HA PHE A 34 4.499 -1.124 2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.175 -2.559 3.643 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.380 -1.584 5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.048 -1.101 1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.476 -0.440 5.776 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.065 0.050 1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.617 0.706 5.303 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.399 0.965 2.996 1.00 0.00 H new ATOM 510 N MET A 35 3.559 1.146 2.230 1.00 0.00 N ATOM 511 CA MET A 35 3.184 2.542 2.077 1.00 0.00 C ATOM 512 C MET A 35 1.975 2.655 1.167 1.00 0.00 C ATOM 513 O MET A 35 1.546 1.667 0.574 1.00 0.00 O ATOM 514 CB MET A 35 4.341 3.355 1.509 1.00 0.00 C ATOM 515 CG MET A 35 4.114 4.851 1.554 1.00 0.00 C ATOM 516 SD MET A 35 5.571 5.763 1.055 1.00 0.00 S ATOM 517 CE MET A 35 6.458 5.746 2.603 1.00 0.00 C ATOM 0 H MET A 35 3.381 0.572 1.406 1.00 0.00 H new ATOM 0 HA MET A 35 2.934 2.941 3.060 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.248 3.117 2.065 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.512 3.053 0.476 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.281 5.112 0.901 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.830 5.145 2.565 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.165 6.576 2.627 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.752 5.847 3.428 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.000 4.805 2.702 1.00 0.00 H new ATOM 527 N VAL A 36 1.434 3.856 1.048 1.00 0.00 N ATOM 528 CA VAL A 36 0.272 4.070 0.193 1.00 0.00 C ATOM 529 C VAL A 36 0.277 5.449 -0.436 1.00 0.00 C ATOM 530 O VAL A 36 0.803 6.407 0.131 1.00 0.00 O ATOM 531 CB VAL A 36 -1.048 3.872 0.955 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.236 4.189 0.062 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.138 2.452 1.481 1.00 0.00 C ATOM 0 H VAL A 36 1.774 4.691 1.525 1.00 0.00 H new ATOM 0 HA VAL A 36 0.341 3.320 -0.595 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.068 4.559 1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.160 4.042 0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.174 5.225 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.227 3.527 -0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.077 2.322 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.098 1.752 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.304 2.260 2.156 1.00 0.00 H new ATOM 543 N ARG A 37 -0.309 5.537 -1.621 1.00 0.00 N ATOM 544 CA ARG A 37 -0.372 6.795 -2.344 1.00 0.00 C ATOM 545 C ARG A 37 -1.629 6.874 -3.207 1.00 0.00 C ATOM 546 O ARG A 37 -1.876 6.010 -4.049 1.00 0.00 O ATOM 547 CB ARG A 37 0.893 6.955 -3.184 1.00 0.00 C ATOM 548 CG ARG A 37 0.719 6.640 -4.656 1.00 0.00 C ATOM 549 CD ARG A 37 1.885 5.812 -5.166 1.00 0.00 C ATOM 550 NE ARG A 37 1.999 5.859 -6.622 1.00 0.00 N ATOM 551 CZ ARG A 37 2.149 6.983 -7.315 1.00 0.00 C ATOM 552 NH1 ARG A 37 2.219 8.150 -6.688 1.00 0.00 N ATOM 553 NH2 ARG A 37 2.234 6.942 -8.638 1.00 0.00 N ATOM 0 H ARG A 37 -0.747 4.751 -2.101 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.428 7.616 -1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.251 7.980 -3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.668 6.306 -2.776 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.214 6.098 -4.810 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.647 7.566 -5.226 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.810 6.176 -4.719 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.761 4.777 -4.846 1.00 0.00 H new ATOM 0 HE ARG A 37 1.961 4.979 -7.136 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.158 8.187 -5.671 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.334 9.011 -7.223 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.184 6.047 -9.125 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.349 7.805 -9.169 1.00 0.00 H new ATOM 567 N ASP A 38 -2.429 7.911 -2.975 1.00 0.00 N ATOM 568 CA ASP A 38 -3.673 8.107 -3.713 1.00 0.00 C ATOM 569 C ASP A 38 -3.414 8.336 -5.198 1.00 0.00 C ATOM 570 O ASP A 38 -2.391 8.904 -5.583 1.00 0.00 O ATOM 571 CB ASP A 38 -4.450 9.290 -3.131 1.00 0.00 C ATOM 572 CG ASP A 38 -5.837 9.420 -3.731 1.00 0.00 C ATOM 573 OD1 ASP A 38 -6.613 8.445 -3.649 1.00 0.00 O ATOM 574 OD2 ASP A 38 -6.146 10.497 -4.283 1.00 0.00 O ATOM 0 H ASP A 38 -2.237 8.631 -2.279 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.266 7.198 -3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.534 9.170 -2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.893 10.210 -3.308 1.00 0.00 H new ATOM 579 N SER A 39 -4.353 7.891 -6.027 1.00 0.00 N ATOM 580 CA SER A 39 -4.242 8.042 -7.471 1.00 0.00 C ATOM 581 C SER A 39 -5.426 8.828 -8.028 1.00 0.00 C ATOM 582 O SER A 39 -6.489 8.888 -7.411 1.00 0.00 O ATOM 583 CB SER A 39 -4.166 6.669 -8.140 1.00 0.00 C ATOM 584 OG SER A 39 -4.501 6.751 -9.515 1.00 0.00 O ATOM 0 H SER A 39 -5.204 7.420 -5.719 1.00 0.00 H new ATOM 0 HA SER A 39 -3.328 8.596 -7.687 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.160 6.263 -8.031 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.844 5.979 -7.638 1.00 0.00 H new ATOM 0 HG SER A 39 -4.291 5.900 -9.954 1.00 0.00 H new ATOM 590 N ARG A 40 -5.236 9.429 -9.201 1.00 0.00 N ATOM 591 CA ARG A 40 -6.291 10.209 -9.841 1.00 0.00 C ATOM 592 C ARG A 40 -7.216 9.306 -10.650 1.00 0.00 C ATOM 593 O ARG A 40 -7.250 9.373 -11.880 1.00 0.00 O ATOM 594 CB ARG A 40 -5.682 11.280 -10.748 1.00 0.00 C ATOM 595 CG ARG A 40 -5.136 12.479 -9.990 1.00 0.00 C ATOM 596 CD ARG A 40 -6.225 13.175 -9.189 1.00 0.00 C ATOM 597 NE ARG A 40 -5.694 13.829 -7.997 1.00 0.00 N ATOM 598 CZ ARG A 40 -6.285 14.858 -7.397 1.00 0.00 C ATOM 599 NH1 ARG A 40 -7.421 15.345 -7.877 1.00 0.00 N ATOM 600 NH2 ARG A 40 -5.741 15.399 -6.315 1.00 0.00 N ATOM 0 H ARG A 40 -4.362 9.390 -9.726 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.877 10.695 -9.061 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.878 10.834 -11.334 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.440 11.621 -11.454 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.340 12.155 -9.319 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.693 13.184 -10.693 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.721 13.915 -9.818 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.981 12.447 -8.896 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.822 13.477 -7.603 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.843 14.930 -8.708 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.873 16.134 -7.415 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.868 15.026 -5.942 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.196 16.188 -5.856 1.00 0.00 H new ATOM 614 N THR A 41 -7.960 8.454 -9.952 1.00 0.00 N ATOM 615 CA THR A 41 -8.880 7.527 -10.597 1.00 0.00 C ATOM 616 C THR A 41 -10.152 7.359 -9.757 1.00 0.00 C ATOM 617 O THR A 41 -10.447 8.199 -8.906 1.00 0.00 O ATOM 618 CB THR A 41 -8.170 6.191 -10.808 1.00 0.00 C ATOM 619 OG1 THR A 41 -8.644 5.541 -11.974 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.316 5.239 -9.643 1.00 0.00 C ATOM 0 H THR A 41 -7.942 8.387 -8.934 1.00 0.00 H new ATOM 0 HA THR A 41 -9.184 7.922 -11.566 1.00 0.00 H new ATOM 0 HB THR A 41 -7.114 6.443 -10.909 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.257 4.642 -12.028 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.787 4.312 -9.862 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.895 5.694 -8.747 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.372 5.024 -9.479 1.00 0.00 H new ATOM 628 N PRO A 42 -10.933 6.283 -9.982 1.00 0.00 N ATOM 629 CA PRO A 42 -12.177 6.035 -9.243 1.00 0.00 C ATOM 630 C PRO A 42 -12.100 6.407 -7.762 1.00 0.00 C ATOM 631 O PRO A 42 -13.115 6.407 -7.065 1.00 0.00 O ATOM 632 CB PRO A 42 -12.367 4.534 -9.420 1.00 0.00 C ATOM 633 CG PRO A 42 -11.833 4.263 -10.784 1.00 0.00 C ATOM 634 CD PRO A 42 -10.686 5.225 -10.984 1.00 0.00 C ATOM 0 HA PRO A 42 -13.000 6.645 -9.615 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.826 3.971 -8.660 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.417 4.252 -9.339 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.495 3.230 -10.872 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.603 4.412 -11.541 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.724 4.739 -10.823 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.674 5.628 -11.997 1.00 0.00 H new ATOM 642 N GLY A 43 -10.903 6.731 -7.283 1.00 0.00 N ATOM 643 CA GLY A 43 -10.744 7.108 -5.888 1.00 0.00 C ATOM 644 C GLY A 43 -9.941 6.106 -5.091 1.00 0.00 C ATOM 645 O GLY A 43 -9.959 6.117 -3.860 1.00 0.00 O ATOM 0 H GLY A 43 -10.043 6.740 -7.832 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.256 8.081 -5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.728 7.220 -5.434 1.00 0.00 H new ATOM 649 N THR A 44 -9.232 5.242 -5.795 1.00 0.00 N ATOM 650 CA THR A 44 -8.408 4.227 -5.161 1.00 0.00 C ATOM 651 C THR A 44 -7.132 4.838 -4.593 1.00 0.00 C ATOM 652 O THR A 44 -6.865 6.027 -4.773 1.00 0.00 O ATOM 653 CB THR A 44 -8.044 3.152 -6.179 1.00 0.00 C ATOM 654 OG1 THR A 44 -6.727 2.678 -5.962 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.124 3.647 -7.603 1.00 0.00 C ATOM 0 H THR A 44 -9.210 5.223 -6.815 1.00 0.00 H new ATOM 0 HA THR A 44 -8.977 3.786 -4.343 1.00 0.00 H new ATOM 0 HB THR A 44 -8.773 2.354 -6.039 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.716 2.090 -5.178 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.855 2.840 -8.284 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.140 3.978 -7.817 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.435 4.481 -7.738 1.00 0.00 H new ATOM 663 N TYR A 45 -6.343 4.012 -3.918 1.00 0.00 N ATOM 664 CA TYR A 45 -5.085 4.459 -3.333 1.00 0.00 C ATOM 665 C TYR A 45 -3.959 3.497 -3.688 1.00 0.00 C ATOM 666 O TYR A 45 -4.204 2.336 -4.008 1.00 0.00 O ATOM 667 CB TYR A 45 -5.214 4.572 -1.817 1.00 0.00 C ATOM 668 CG TYR A 45 -6.400 5.392 -1.379 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.688 4.934 -1.592 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.231 6.621 -0.756 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.784 5.675 -1.198 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.321 7.371 -0.356 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.596 6.893 -0.580 1.00 0.00 C ATOM 674 OH TYR A 45 -9.685 7.635 -0.185 1.00 0.00 O ATOM 0 H TYR A 45 -6.553 3.026 -3.762 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.848 5.441 -3.741 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.295 3.572 -1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.304 5.017 -1.414 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.839 3.980 -2.075 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.234 6.997 -0.581 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.783 5.303 -1.373 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.176 8.325 0.129 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.380 8.466 0.235 1.00 0.00 H new ATOM 684 N THR A 46 -2.723 3.980 -3.629 1.00 0.00 N ATOM 685 CA THR A 46 -1.568 3.145 -3.944 1.00 0.00 C ATOM 686 C THR A 46 -0.935 2.616 -2.664 1.00 0.00 C ATOM 687 O THR A 46 -1.037 3.247 -1.617 1.00 0.00 O ATOM 688 CB THR A 46 -0.536 3.930 -4.749 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.164 4.702 -5.756 1.00 0.00 O ATOM 690 CG2 THR A 46 0.487 3.039 -5.419 1.00 0.00 C ATOM 0 H THR A 46 -2.495 4.939 -3.368 1.00 0.00 H new ATOM 0 HA THR A 46 -1.910 2.303 -4.546 1.00 0.00 H new ATOM 0 HB THR A 46 -0.026 4.571 -4.029 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.725 5.389 -5.339 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.194 3.653 -5.977 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.022 2.466 -4.662 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.017 2.356 -6.102 1.00 0.00 H new ATOM 698 N VAL A 47 -0.282 1.459 -2.752 1.00 0.00 N ATOM 699 CA VAL A 47 0.360 0.856 -1.588 1.00 0.00 C ATOM 700 C VAL A 47 1.794 0.446 -1.887 1.00 0.00 C ATOM 701 O VAL A 47 2.032 -0.476 -2.667 1.00 0.00 O ATOM 702 CB VAL A 47 -0.398 -0.395 -1.100 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.501 -1.244 -0.212 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.671 -0.007 -0.366 1.00 0.00 C ATOM 0 H VAL A 47 -0.184 0.923 -3.614 1.00 0.00 H new ATOM 0 HA VAL A 47 0.347 1.621 -0.812 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.682 -0.986 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.047 -2.124 0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.379 -1.558 -0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.816 -0.659 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.187 -0.907 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.420 0.609 0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.320 0.556 -1.036 1.00 0.00 H new ATOM 714 N SER A 48 2.750 1.109 -1.245 1.00 0.00 N ATOM 715 CA SER A 48 4.153 0.763 -1.444 1.00 0.00 C ATOM 716 C SER A 48 4.554 -0.352 -0.488 1.00 0.00 C ATOM 717 O SER A 48 4.633 -0.147 0.725 1.00 0.00 O ATOM 718 CB SER A 48 5.090 1.963 -1.242 1.00 0.00 C ATOM 719 OG SER A 48 6.051 2.031 -2.280 1.00 0.00 O ATOM 0 H SER A 48 2.584 1.876 -0.593 1.00 0.00 H new ATOM 0 HA SER A 48 4.255 0.433 -2.478 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.508 2.884 -1.218 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.594 1.879 -0.279 1.00 0.00 H new ATOM 0 HG SER A 48 5.670 1.661 -3.104 1.00 0.00 H new ATOM 725 N VAL A 49 4.812 -1.528 -1.047 1.00 0.00 N ATOM 726 CA VAL A 49 5.221 -2.687 -0.265 1.00 0.00 C ATOM 727 C VAL A 49 6.623 -3.106 -0.685 1.00 0.00 C ATOM 728 O VAL A 49 6.839 -3.486 -1.836 1.00 0.00 O ATOM 729 CB VAL A 49 4.253 -3.869 -0.462 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.822 -3.441 -0.175 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.377 -4.429 -1.871 1.00 0.00 C ATOM 0 H VAL A 49 4.744 -1.704 -2.049 1.00 0.00 H new ATOM 0 HA VAL A 49 5.208 -2.410 0.789 1.00 0.00 H new ATOM 0 HB VAL A 49 4.520 -4.656 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.153 -4.289 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.747 -3.090 0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.540 -2.636 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.686 -5.263 -1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.137 -3.650 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.397 -4.775 -2.036 1.00 0.00 H new ATOM 741 N PHE A 50 7.586 -3.003 0.225 1.00 0.00 N ATOM 742 CA PHE A 50 8.961 -3.345 -0.119 1.00 0.00 C ATOM 743 C PHE A 50 9.643 -4.227 0.924 1.00 0.00 C ATOM 744 O PHE A 50 9.439 -4.076 2.137 1.00 0.00 O ATOM 745 CB PHE A 50 9.755 -2.060 -0.355 1.00 0.00 C ATOM 746 CG PHE A 50 10.862 -1.808 0.626 1.00 0.00 C ATOM 747 CD1 PHE A 50 12.134 -2.311 0.402 1.00 0.00 C ATOM 748 CD2 PHE A 50 10.638 -1.038 1.752 1.00 0.00 C ATOM 749 CE1 PHE A 50 13.160 -2.051 1.290 1.00 0.00 C ATOM 750 CE2 PHE A 50 11.661 -0.769 2.638 1.00 0.00 C ATOM 751 CZ PHE A 50 12.923 -1.276 2.408 1.00 0.00 C ATOM 0 H PHE A 50 7.445 -2.692 1.186 1.00 0.00 H new ATOM 0 HA PHE A 50 8.934 -3.939 -1.032 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.180 -2.093 -1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.067 -1.215 -0.328 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.325 -2.912 -0.475 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.651 -0.642 1.940 1.00 0.00 H new ATOM 0 HE1 PHE A 50 14.146 -2.453 1.110 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.474 -0.162 3.511 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.724 -1.067 3.101 1.00 0.00 H new ATOM 761 N THR A 51 10.462 -5.153 0.417 1.00 0.00 N ATOM 762 CA THR A 51 11.204 -6.093 1.249 1.00 0.00 C ATOM 763 C THR A 51 12.585 -6.351 0.659 1.00 0.00 C ATOM 764 O THR A 51 12.716 -7.103 -0.307 1.00 0.00 O ATOM 765 CB THR A 51 10.454 -7.418 1.337 1.00 0.00 C ATOM 766 OG1 THR A 51 9.315 -7.305 2.168 1.00 0.00 O ATOM 767 CG2 THR A 51 11.305 -8.550 1.866 1.00 0.00 C ATOM 0 H THR A 51 10.626 -5.269 -0.583 1.00 0.00 H new ATOM 0 HA THR A 51 11.308 -5.658 2.243 1.00 0.00 H new ATOM 0 HB THR A 51 10.164 -7.651 0.313 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.378 -7.955 2.899 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.712 -9.464 1.904 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.161 -8.700 1.208 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.656 -8.304 2.868 1.00 0.00 H new ATOM 775 N LYS A 52 13.614 -5.737 1.231 1.00 0.00 N ATOM 776 CA LYS A 52 14.962 -5.936 0.726 1.00 0.00 C ATOM 777 C LYS A 52 15.079 -7.300 0.056 1.00 0.00 C ATOM 778 O LYS A 52 15.104 -8.336 0.722 1.00 0.00 O ATOM 779 CB LYS A 52 15.991 -5.821 1.853 1.00 0.00 C ATOM 780 CG LYS A 52 15.461 -5.138 3.100 1.00 0.00 C ATOM 781 CD LYS A 52 14.389 -5.975 3.776 1.00 0.00 C ATOM 782 CE LYS A 52 13.187 -5.132 4.168 1.00 0.00 C ATOM 783 NZ LYS A 52 13.371 -3.698 3.808 1.00 0.00 N ATOM 0 H LYS A 52 13.542 -5.108 2.031 1.00 0.00 H new ATOM 0 HA LYS A 52 15.166 -5.157 -0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.339 -6.819 2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.856 -5.268 1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.281 -4.962 3.797 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.051 -4.163 2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.072 -6.773 3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.805 -6.452 4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.296 -5.519 3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.018 -5.218 5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.477 -3.187 3.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.108 -3.281 4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.657 -3.624 2.811 1.00 0.00 H new ATOM 797 N ALA A 53 15.154 -7.283 -1.268 1.00 0.00 N ATOM 798 CA ALA A 53 15.274 -8.507 -2.046 1.00 0.00 C ATOM 799 C ALA A 53 15.115 -8.230 -3.537 1.00 0.00 C ATOM 800 O ALA A 53 14.513 -7.231 -3.929 1.00 0.00 O ATOM 801 CB ALA A 53 14.244 -9.527 -1.586 1.00 0.00 C ATOM 0 H ALA A 53 15.134 -6.430 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 53 16.272 -8.914 -1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.345 -10.438 -2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.405 -9.757 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.242 -9.118 -1.719 1.00 0.00 H new ATOM 899 N CYS A 60 13.525 -4.407 -2.459 1.00 0.00 N ATOM 900 CA CYS A 60 12.326 -4.624 -3.265 1.00 0.00 C ATOM 901 C CYS A 60 11.181 -3.719 -2.824 1.00 0.00 C ATOM 902 O CYS A 60 10.717 -3.809 -1.689 1.00 0.00 O ATOM 903 CB CYS A 60 11.880 -6.083 -3.154 1.00 0.00 C ATOM 904 SG CYS A 60 10.484 -6.509 -4.222 1.00 0.00 S ATOM 0 HA CYS A 60 12.577 -4.385 -4.298 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.723 -6.729 -3.400 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.609 -6.292 -2.119 1.00 0.00 H new ATOM 0 HG CYS A 60 10.181 -7.763 -4.060 1.00 0.00 H new ATOM 910 N ILE A 61 10.713 -2.867 -3.733 1.00 0.00 N ATOM 911 CA ILE A 61 9.603 -1.968 -3.431 1.00 0.00 C ATOM 912 C ILE A 61 8.484 -2.125 -4.450 1.00 0.00 C ATOM 913 O ILE A 61 8.573 -1.618 -5.569 1.00 0.00 O ATOM 914 CB ILE A 61 10.031 -0.487 -3.399 1.00 0.00 C ATOM 915 CG1 ILE A 61 11.527 -0.362 -3.102 1.00 0.00 C ATOM 916 CG2 ILE A 61 9.205 0.281 -2.370 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.930 -0.933 -1.761 1.00 0.00 C ATOM 0 H ILE A 61 11.083 -2.781 -4.680 1.00 0.00 H new ATOM 0 HA ILE A 61 9.252 -2.248 -2.438 1.00 0.00 H new ATOM 0 HB ILE A 61 9.847 -0.051 -4.381 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.088 -0.870 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.809 0.690 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.518 1.325 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.149 0.222 -2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.358 -0.155 -1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.004 -0.809 -1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.397 -0.409 -0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.680 -1.993 -1.727 1.00 0.00 H new ATOM 929 N LYS A 62 7.429 -2.822 -4.052 1.00 0.00 N ATOM 930 CA LYS A 62 6.285 -3.038 -4.925 1.00 0.00 C ATOM 931 C LYS A 62 5.177 -2.051 -4.605 1.00 0.00 C ATOM 932 O LYS A 62 4.822 -1.862 -3.441 1.00 0.00 O ATOM 933 CB LYS A 62 5.751 -4.456 -4.767 1.00 0.00 C ATOM 934 CG LYS A 62 5.008 -4.957 -5.993 1.00 0.00 C ATOM 935 CD LYS A 62 5.918 -5.743 -6.917 1.00 0.00 C ATOM 936 CE LYS A 62 5.148 -6.827 -7.646 1.00 0.00 C ATOM 937 NZ LYS A 62 3.680 -6.712 -7.419 1.00 0.00 N ATOM 0 H LYS A 62 7.342 -3.248 -3.129 1.00 0.00 H new ATOM 0 HA LYS A 62 6.616 -2.889 -5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.582 -5.128 -4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.083 -4.492 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.174 -5.586 -5.682 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.584 -4.110 -6.533 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.377 -5.069 -7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.727 -6.192 -6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.356 -6.765 -8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.492 -7.805 -7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.179 -7.370 -8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.462 -6.947 -6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.373 -5.739 -7.619 1.00 0.00 H new ATOM 951 N HIS A 63 4.620 -1.432 -5.634 1.00 0.00 N ATOM 952 CA HIS A 63 3.544 -0.482 -5.436 1.00 0.00 C ATOM 953 C HIS A 63 2.206 -1.120 -5.784 1.00 0.00 C ATOM 954 O HIS A 63 1.901 -1.354 -6.954 1.00 0.00 O ATOM 955 CB HIS A 63 3.773 0.757 -6.300 1.00 0.00 C ATOM 956 CG HIS A 63 5.031 1.496 -5.967 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.361 1.921 -4.700 1.00 0.00 N ATOM 958 CD2 HIS A 63 6.055 1.884 -6.770 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.546 2.542 -4.770 1.00 0.00 C ATOM 960 NE2 HIS A 63 7.010 2.547 -6.004 1.00 0.00 N ATOM 0 H HIS A 63 4.894 -1.571 -6.607 1.00 0.00 H new ATOM 0 HA HIS A 63 3.529 -0.185 -4.387 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.804 0.458 -7.348 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.924 1.431 -6.185 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.118 1.707 -7.833 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.055 2.982 -3.925 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.887 2.953 -6.330 1.00 0.00 H new ATOM 968 N TYR A 64 1.411 -1.395 -4.759 1.00 0.00 N ATOM 969 CA TYR A 64 0.102 -2.004 -4.945 1.00 0.00 C ATOM 970 C TYR A 64 -0.999 -0.965 -4.852 1.00 0.00 C ATOM 971 O TYR A 64 -1.107 -0.253 -3.853 1.00 0.00 O ATOM 972 CB TYR A 64 -0.125 -3.084 -3.900 1.00 0.00 C ATOM 973 CG TYR A 64 0.717 -4.299 -4.148 1.00 0.00 C ATOM 974 CD1 TYR A 64 2.080 -4.265 -3.921 1.00 0.00 C ATOM 975 CD2 TYR A 64 0.155 -5.474 -4.622 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.864 -5.367 -4.159 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.933 -6.585 -4.862 1.00 0.00 C ATOM 978 CZ TYR A 64 2.289 -6.528 -4.630 1.00 0.00 C ATOM 979 OH TYR A 64 3.074 -7.633 -4.869 1.00 0.00 O ATOM 0 H TYR A 64 1.652 -1.205 -3.786 1.00 0.00 H new ATOM 0 HA TYR A 64 0.075 -2.450 -5.939 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.100 -2.684 -2.912 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.177 -3.368 -3.896 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.535 -3.358 -3.551 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.908 -5.519 -4.806 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.928 -5.324 -3.978 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.482 -7.495 -5.230 1.00 0.00 H new ATOM 0 HH TYR A 64 4.007 -7.424 -4.655 1.00 0.00 H new ATOM 989 N HIS A 65 -1.825 -0.883 -5.885 1.00 0.00 N ATOM 990 CA HIS A 65 -2.920 0.068 -5.879 1.00 0.00 C ATOM 991 C HIS A 65 -4.164 -0.561 -5.303 1.00 0.00 C ATOM 992 O HIS A 65 -4.429 -1.747 -5.505 1.00 0.00 O ATOM 993 CB HIS A 65 -3.221 0.612 -7.268 1.00 0.00 C ATOM 994 CG HIS A 65 -3.463 2.076 -7.249 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.489 2.819 -6.100 1.00 0.00 N ATOM 996 CD2 HIS A 65 -3.701 2.937 -8.258 1.00 0.00 C ATOM 997 CE1 HIS A 65 -3.738 4.085 -6.436 1.00 0.00 C ATOM 998 NE2 HIS A 65 -3.875 4.215 -7.740 1.00 0.00 N ATOM 0 H HIS A 65 -1.758 -1.456 -6.726 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.607 0.904 -5.254 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.386 0.391 -7.933 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.096 0.105 -7.675 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.344 2.467 -5.154 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.749 2.675 -9.305 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.817 4.899 -5.730 1.00 0.00 H new ATOM 1006 N ILE A 66 -4.931 0.239 -4.588 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.156 -0.253 -3.988 1.00 0.00 C ATOM 1008 C ILE A 66 -7.327 -0.003 -4.916 1.00 0.00 C ATOM 1009 O ILE A 66 -7.806 1.121 -5.035 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.436 0.418 -2.628 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.162 1.039 -2.058 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.010 -0.590 -1.646 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.904 0.286 -2.427 1.00 0.00 C ATOM 0 H ILE A 66 -4.731 1.223 -4.409 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.031 -1.323 -3.823 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.167 1.211 -2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.078 2.066 -2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.244 1.083 -0.972 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.202 -0.100 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.943 -0.992 -2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.298 -1.402 -1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.040 0.784 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.966 -0.734 -2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.798 0.264 -3.512 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.796 -1.061 -5.559 1.00 0.00 N ATOM 1026 CA LYS A 67 -8.923 -0.949 -6.462 1.00 0.00 C ATOM 1027 C LYS A 67 -10.177 -0.651 -5.659 1.00 0.00 C ATOM 1028 O LYS A 67 -10.282 -1.072 -4.509 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.101 -2.239 -7.265 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.226 -2.171 -8.285 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.948 -1.123 -9.351 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.458 -0.977 -9.615 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.927 -2.098 -10.439 1.00 0.00 N ATOM 0 H LYS A 67 -7.413 -2.002 -5.471 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.739 -0.137 -7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.168 -2.468 -7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.295 -3.062 -6.577 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.351 -3.146 -8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.163 -1.938 -7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.457 -1.399 -10.275 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.358 -0.164 -9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.271 -0.032 -10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.923 -0.939 -8.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.908 -1.961 -10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.083 -2.998 -9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.419 -2.119 -11.355 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.114 0.076 -6.261 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.359 0.437 -5.587 1.00 0.00 C ATOM 1049 C GLU A 68 -13.553 -0.215 -6.275 1.00 0.00 C ATOM 1050 O GLU A 68 -13.592 -0.316 -7.502 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.533 1.960 -5.584 1.00 0.00 C ATOM 1052 CG GLU A 68 -11.452 2.700 -4.811 1.00 0.00 C ATOM 1053 CD GLU A 68 -11.954 3.996 -4.205 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -12.999 4.502 -4.666 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -11.302 4.505 -3.269 1.00 0.00 O ATOM 0 H GLU A 68 -11.035 0.427 -7.215 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.309 0.077 -4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.540 2.318 -6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.505 2.204 -5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.071 2.056 -4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.616 2.914 -5.477 1.00 0.00 H new ATOM 1062 N THR A 69 -14.524 -0.661 -5.482 1.00 0.00 N ATOM 1063 CA THR A 69 -15.711 -1.304 -6.028 1.00 0.00 C ATOM 1064 C THR A 69 -16.940 -0.951 -5.204 1.00 0.00 C ATOM 1065 O THR A 69 -17.263 -1.632 -4.232 1.00 0.00 O ATOM 1066 CB THR A 69 -15.524 -2.822 -6.067 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.603 -3.444 -6.741 1.00 0.00 O ATOM 1068 CG2 THR A 69 -15.419 -3.450 -4.694 1.00 0.00 C ATOM 0 H THR A 69 -14.511 -0.589 -4.465 1.00 0.00 H new ATOM 0 HA THR A 69 -15.859 -0.940 -7.045 1.00 0.00 H new ATOM 0 HB THR A 69 -14.583 -2.981 -6.594 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.464 -4.414 -6.756 1.00 0.00 H new ATOM 0 HG21 THR A 69 -15.288 -4.527 -4.796 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.564 -3.029 -4.166 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.330 -3.247 -4.130 1.00 0.00 H new ATOM 1076 N ASN A 70 -17.617 0.124 -5.597 1.00 0.00 N ATOM 1077 CA ASN A 70 -18.811 0.581 -4.895 1.00 0.00 C ATOM 1078 C ASN A 70 -19.593 -0.591 -4.311 1.00 0.00 C ATOM 1079 O ASN A 70 -20.652 -0.957 -4.820 1.00 0.00 O ATOM 1080 CB ASN A 70 -19.706 1.384 -5.841 1.00 0.00 C ATOM 1081 CG ASN A 70 -19.791 0.762 -7.221 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -19.758 1.463 -8.233 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -19.903 -0.560 -7.269 1.00 0.00 N ATOM 0 H ASN A 70 -17.358 0.696 -6.401 1.00 0.00 H new ATOM 0 HA ASN A 70 -18.491 1.220 -4.072 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -20.707 1.457 -5.416 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -19.321 2.400 -5.926 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -19.966 -1.034 -8.170 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -19.926 -1.102 -6.405 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.001 -3.272 0.833 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.100 -3.936 -0.104 1.00 0.00 C ATOM 1129 C LYS A 74 -15.877 -3.100 -1.357 1.00 0.00 C ATOM 1130 O LYS A 74 -16.333 -3.457 -2.442 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.651 -5.311 -0.482 1.00 0.00 C ATOM 1132 CG LYS A 74 -17.147 -6.115 0.709 1.00 0.00 C ATOM 1133 CD LYS A 74 -18.665 -6.161 0.757 1.00 0.00 C ATOM 1134 CE LYS A 74 -19.226 -7.087 -0.310 1.00 0.00 C ATOM 1135 NZ LYS A 74 -19.931 -8.256 0.283 1.00 0.00 N ATOM 0 HA LYS A 74 -15.137 -4.057 0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -17.470 -5.183 -1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.873 -5.877 -0.994 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -16.753 -7.130 0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -16.766 -5.675 1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -18.989 -6.499 1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -19.066 -5.157 0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -19.915 -6.532 -0.946 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.415 -7.438 -0.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.298 -8.862 -0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -19.267 -8.801 0.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.721 -7.923 0.872 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.168 -1.990 -1.202 1.00 0.00 N ATOM 1150 CA ARG A 75 -14.885 -1.107 -2.323 1.00 0.00 C ATOM 1151 C ARG A 75 -13.450 -1.253 -2.817 1.00 0.00 C ATOM 1152 O ARG A 75 -13.216 -1.591 -3.976 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.121 0.344 -1.922 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.540 0.810 -2.178 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.867 2.057 -1.380 1.00 0.00 C ATOM 1156 NE ARG A 75 -17.169 1.734 0.006 1.00 0.00 N ATOM 1157 CZ ARG A 75 -17.889 2.515 0.806 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -18.359 3.671 0.358 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -18.139 2.142 2.054 1.00 0.00 N ATOM 0 H ARG A 75 -14.779 -1.681 -0.311 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.559 -1.391 -3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.891 0.464 -0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.431 0.983 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.672 1.012 -3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.238 0.015 -1.916 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.025 2.748 -1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -17.719 2.567 -1.831 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.808 0.859 0.386 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.168 3.962 -0.601 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.911 4.269 0.972 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.779 1.254 2.403 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.692 2.743 2.665 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.493 -0.946 -1.949 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.090 -0.992 -2.332 1.00 0.00 C ATOM 1175 C TYR A 76 -10.446 -2.350 -2.096 1.00 0.00 C ATOM 1176 O TYR A 76 -10.811 -3.077 -1.176 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.319 0.096 -1.596 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.093 1.382 -1.504 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.244 1.562 -2.255 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.681 2.411 -0.674 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -12.967 2.728 -2.184 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.399 3.588 -0.592 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.543 3.742 -1.350 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.263 4.914 -1.274 1.00 0.00 O ATOM 0 H TYR A 76 -12.662 -0.665 -0.983 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.049 -0.817 -3.407 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.075 -0.251 -0.592 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.375 0.279 -2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.579 0.770 -2.909 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.785 2.291 -0.082 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.861 2.850 -2.777 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.068 4.382 0.060 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.013 5.501 -2.018 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.476 -2.664 -2.953 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.737 -3.930 -2.888 1.00 0.00 C ATOM 1196 C TYR A 77 -7.535 -3.901 -3.829 1.00 0.00 C ATOM 1197 O TYR A 77 -7.366 -2.963 -4.601 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.643 -5.098 -3.275 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.077 -5.052 -4.720 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -10.899 -4.028 -5.175 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.658 -6.018 -5.633 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.295 -3.961 -6.495 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -10.054 -5.953 -6.958 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.869 -4.924 -7.382 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.262 -4.861 -8.700 1.00 0.00 O ATOM 0 H TYR A 77 -9.178 -2.051 -3.712 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.390 -4.062 -1.863 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.119 -6.035 -3.088 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.526 -5.094 -2.636 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.234 -3.270 -4.482 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.019 -6.824 -5.304 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.935 -3.158 -6.830 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.725 -6.707 -7.658 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.002 -4.225 -8.791 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.713 -4.944 -3.776 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.542 -5.039 -4.645 1.00 0.00 C ATOM 1217 C VAL A 78 -5.349 -6.463 -5.133 1.00 0.00 C ATOM 1218 O VAL A 78 -4.338 -7.098 -4.832 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.250 -4.606 -3.936 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.294 -3.133 -3.570 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -4.007 -5.472 -2.712 1.00 0.00 C ATOM 0 H VAL A 78 -6.834 -5.734 -3.143 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.732 -4.366 -5.481 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.416 -4.745 -4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.367 -2.855 -3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.411 -2.537 -4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.136 -2.949 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.088 -5.155 -2.219 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.844 -5.369 -2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.914 -6.514 -3.017 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.316 -6.964 -5.882 1.00 0.00 N ATOM 1232 CA ALA A 79 -6.236 -8.318 -6.396 1.00 0.00 C ATOM 1233 C ALA A 79 -7.615 -8.951 -6.478 1.00 0.00 C ATOM 1234 O ALA A 79 -7.797 -10.096 -6.063 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.345 -9.159 -5.496 1.00 0.00 C ATOM 0 H ALA A 79 -7.160 -6.456 -6.146 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.813 -8.277 -7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.288 -10.175 -5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.345 -8.726 -5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.761 -9.180 -4.489 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.597 -8.206 -6.974 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.950 -8.739 -7.040 1.00 0.00 C ATOM 1243 C GLU A 80 -10.179 -9.555 -5.784 1.00 0.00 C ATOM 1244 O GLU A 80 -10.990 -10.481 -5.748 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.128 -9.605 -8.288 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.380 -9.074 -9.497 1.00 0.00 C ATOM 1247 CD GLU A 80 -10.280 -8.878 -10.701 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -11.509 -9.049 -10.558 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -9.757 -8.553 -11.788 1.00 0.00 O ATOM 0 H GLU A 80 -8.486 -7.256 -7.328 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.676 -7.929 -7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.785 -10.617 -8.072 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.189 -9.673 -8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.911 -8.124 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.579 -9.766 -9.756 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.400 -9.207 -4.768 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.418 -9.882 -3.493 1.00 0.00 C ATOM 1258 C LYS A 81 -10.130 -9.066 -2.417 1.00 0.00 C ATOM 1259 O LYS A 81 -11.123 -8.391 -2.687 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.977 -10.153 -3.091 1.00 0.00 C ATOM 1261 CG LYS A 81 -7.136 -8.910 -2.907 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.833 -9.249 -2.207 1.00 0.00 C ATOM 1263 CE LYS A 81 -5.133 -10.440 -2.846 1.00 0.00 C ATOM 1264 NZ LYS A 81 -5.899 -11.705 -2.664 1.00 0.00 N ATOM 0 H LYS A 81 -8.732 -8.437 -4.815 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.976 -10.813 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.973 -10.721 -2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.513 -10.782 -3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.928 -8.458 -3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.688 -8.173 -2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.172 -8.383 -2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.032 -9.466 -1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.995 -10.250 -3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.140 -10.552 -2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.240 -12.483 -2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.564 -11.597 -1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.428 -11.918 -3.533 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.615 -9.148 -1.197 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.191 -8.433 -0.064 1.00 0.00 C ATOM 1280 C TYR A 82 -10.367 -6.961 -0.374 1.00 0.00 C ATOM 1281 O TYR A 82 -9.430 -6.174 -0.246 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.322 -8.552 1.192 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.373 -9.722 1.207 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.432 -9.893 0.204 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.409 -10.643 2.241 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -6.552 -10.956 0.229 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.535 -11.708 2.276 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.606 -11.863 1.266 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.731 -12.924 1.298 1.00 0.00 O ATOM 0 H TYR A 82 -8.794 -9.707 -0.965 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.160 -8.896 0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.744 -7.635 1.303 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.976 -8.624 2.061 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.387 -9.184 -0.609 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.134 -10.525 3.033 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.825 -11.077 -0.560 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.576 -12.418 3.089 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.903 -13.466 2.096 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.573 -6.584 -0.747 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.859 -5.194 -1.030 1.00 0.00 C ATOM 1301 C VAL A 83 -12.582 -4.578 0.157 1.00 0.00 C ATOM 1302 O VAL A 83 -13.600 -5.097 0.614 1.00 0.00 O ATOM 1303 CB VAL A 83 -12.682 -5.026 -2.317 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -12.286 -6.084 -3.334 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.169 -5.084 -2.024 1.00 0.00 C ATOM 0 H VAL A 83 -12.365 -7.216 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.914 -4.676 -1.191 1.00 0.00 H new ATOM 0 HB VAL A 83 -12.467 -4.044 -2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -12.876 -5.955 -4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.227 -5.982 -3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.471 -7.075 -2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -14.728 -4.962 -2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.414 -6.047 -1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.435 -4.284 -1.333 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.025 -3.495 0.680 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.596 -2.839 1.844 1.00 0.00 C ATOM 1317 C PHE A 84 -13.141 -1.461 1.496 1.00 0.00 C ATOM 1318 O PHE A 84 -13.167 -1.064 0.331 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.538 -2.742 2.946 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.779 -4.027 3.142 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.821 -4.430 2.223 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -11.031 -4.839 4.237 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.128 -5.616 2.393 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.345 -6.029 4.411 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.391 -6.418 3.488 1.00 0.00 C ATOM 0 H PHE A 84 -11.180 -3.054 0.317 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.435 -3.436 2.202 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.836 -1.945 2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.021 -2.464 3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.613 -3.810 1.363 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.772 -4.540 4.964 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.382 -5.915 1.671 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.555 -6.653 5.267 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.853 -7.345 3.622 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.589 -0.741 2.518 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.149 0.589 2.328 1.00 0.00 C ATOM 1337 C ASP A 85 -13.080 1.661 2.474 1.00 0.00 C ATOM 1338 O ASP A 85 -13.367 2.854 2.366 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.273 0.836 3.336 1.00 0.00 C ATOM 1340 CG ASP A 85 -14.949 1.962 4.299 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -13.783 2.050 4.738 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -15.861 2.755 4.614 1.00 0.00 O ATOM 0 H ASP A 85 -13.575 -1.058 3.487 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.552 0.643 1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.192 1.073 2.800 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.459 -0.078 3.900 1.00 0.00 H new ATOM 1347 N SER A 86 -11.846 1.237 2.719 1.00 0.00 N ATOM 1348 CA SER A 86 -10.748 2.179 2.876 1.00 0.00 C ATOM 1349 C SER A 86 -9.396 1.473 2.920 1.00 0.00 C ATOM 1350 O SER A 86 -9.271 0.329 3.394 1.00 0.00 O ATOM 1351 CB SER A 86 -10.942 3.011 4.144 1.00 0.00 C ATOM 1352 OG SER A 86 -10.600 4.369 3.921 1.00 0.00 O ATOM 0 H SER A 86 -11.583 0.256 2.812 1.00 0.00 H new ATOM 0 HA SER A 86 -10.753 2.835 2.006 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.979 2.943 4.472 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.327 2.605 4.947 1.00 0.00 H new ATOM 0 HG SER A 86 -10.734 4.880 4.746 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.380 2.173 2.432 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.033 1.642 2.415 1.00 0.00 C ATOM 1360 C ILE A 87 -6.622 1.185 3.808 1.00 0.00 C ATOM 1361 O ILE A 87 -6.031 0.125 3.966 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.011 2.684 1.929 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.085 2.891 0.415 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.610 2.254 2.324 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.357 2.388 -0.224 1.00 0.00 C ATOM 0 H ILE A 87 -8.469 3.112 2.043 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.038 0.800 1.723 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.253 3.634 2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.982 3.955 0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.237 2.389 -0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.890 2.996 1.977 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.548 2.168 3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.384 1.289 1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.324 2.576 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.455 1.317 -0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.212 2.908 0.209 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.929 1.981 4.847 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.570 1.634 6.223 1.00 0.00 C ATOM 1379 C PRO A 88 -7.049 0.239 6.592 1.00 0.00 C ATOM 1380 O PRO A 88 -6.269 -0.578 7.080 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.268 2.697 7.066 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.466 3.852 6.141 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.636 3.269 4.763 1.00 0.00 C ATOM 0 HA PRO A 88 -5.491 1.617 6.377 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.220 2.333 7.452 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.662 2.980 7.927 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.342 4.433 6.428 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.611 4.527 6.174 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.688 3.134 4.511 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.205 3.915 3.998 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.314 -0.057 6.309 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.828 -1.390 6.575 1.00 0.00 C ATOM 1393 C LEU A 89 -8.187 -2.322 5.570 1.00 0.00 C ATOM 1394 O LEU A 89 -7.623 -3.367 5.925 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.354 -1.452 6.458 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.066 -0.104 6.396 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.369 0.264 4.955 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.344 -0.141 7.219 1.00 0.00 C ATOM 0 H LEU A 89 -8.987 0.594 5.904 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.586 -1.679 7.598 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.609 -2.019 5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.743 -2.009 7.310 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.410 0.658 6.817 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.877 1.228 4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.438 0.327 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.010 -0.498 4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.840 0.828 7.164 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.008 -0.911 6.826 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.102 -0.367 8.257 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.231 -1.901 4.305 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.612 -2.668 3.243 1.00 0.00 C ATOM 1412 C LEU A 90 -6.157 -2.922 3.609 1.00 0.00 C ATOM 1413 O LEU A 90 -5.605 -3.987 3.329 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.714 -1.916 1.916 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.296 -2.719 0.686 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.292 -2.513 -0.443 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.893 -2.328 0.246 1.00 0.00 C ATOM 0 H LEU A 90 -8.686 -1.040 4.001 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.128 -3.621 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.743 -1.584 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.095 -1.021 1.974 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.288 -3.777 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.981 -3.091 -1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.280 -2.844 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.331 -1.456 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.611 -2.910 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.872 -1.266 -0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.189 -2.527 1.054 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.553 -1.938 4.272 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.177 -2.053 4.724 1.00 0.00 C ATOM 1431 C ILE A 91 -4.136 -2.881 5.995 1.00 0.00 C ATOM 1432 O ILE A 91 -3.334 -3.805 6.128 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.528 -0.679 5.005 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.592 0.205 3.765 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.080 -0.855 5.449 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.867 -0.382 2.584 1.00 0.00 C ATOM 0 H ILE A 91 -6.000 -1.052 4.506 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.612 -2.531 3.924 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.084 -0.195 5.808 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.636 0.371 3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.164 1.180 3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.638 0.122 5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.049 -1.454 6.359 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.517 -1.359 4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.950 0.295 1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.816 -0.522 2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.310 -1.344 2.327 1.00 0.00 H new ATOM 1448 N GLN A 92 -5.030 -2.549 6.922 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.121 -3.269 8.178 1.00 0.00 C ATOM 1450 C GLN A 92 -5.231 -4.756 7.895 1.00 0.00 C ATOM 1451 O GLN A 92 -4.641 -5.580 8.593 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.330 -2.793 8.986 1.00 0.00 C ATOM 1453 CG GLN A 92 -6.051 -1.560 9.828 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.580 -1.402 10.162 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -3.771 -1.117 9.149 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -4.177 -1.535 11.317 1.00 0.00 N flip ATOM 0 H GLN A 92 -5.699 -1.786 6.823 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.224 -3.076 8.766 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.151 -2.578 8.303 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.661 -3.601 9.638 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.396 -0.674 9.294 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.625 -1.618 10.753 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.835 -1.754 12.065 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.185 -1.426 11.527 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.979 -5.094 6.846 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.141 -6.487 6.460 1.00 0.00 C ATOM 1467 C TYR A 93 -4.837 -7.030 5.886 1.00 0.00 C ATOM 1468 O TYR A 93 -4.484 -8.188 6.113 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.263 -6.633 5.433 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.786 -7.155 4.099 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.417 -8.485 3.945 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.701 -6.317 2.997 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -5.975 -8.965 2.726 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.262 -6.788 1.776 1.00 0.00 C ATOM 1475 CZ TYR A 93 -5.900 -8.113 1.646 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.463 -8.587 0.431 1.00 0.00 O ATOM 0 H TYR A 93 -6.476 -4.427 6.256 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.405 -7.061 7.348 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.023 -7.307 5.829 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.741 -5.664 5.287 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.476 -9.155 4.790 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.983 -5.279 3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.690 -10.002 2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.202 -6.123 0.927 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.767 -9.511 0.312 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.116 -6.185 5.147 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.847 -6.588 4.554 1.00 0.00 C ATOM 1488 C HIS A 94 -1.726 -6.516 5.586 1.00 0.00 C ATOM 1489 O HIS A 94 -0.690 -7.164 5.440 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.524 -5.725 3.333 1.00 0.00 C ATOM 1491 CG HIS A 94 -2.825 -6.404 2.034 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.901 -6.067 1.239 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -2.188 -7.411 1.392 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -3.913 -6.839 0.168 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -2.885 -7.662 0.237 1.00 0.00 N ATOM 0 H HIS A 94 -4.390 -5.223 4.948 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.935 -7.622 4.222 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.094 -4.797 3.391 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.469 -5.453 3.357 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.581 -5.336 1.446 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.297 -7.922 1.726 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.641 -6.803 -0.629 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.951 -5.736 6.640 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.972 -5.595 7.714 1.00 0.00 C ATOM 1506 C GLN A 95 -1.021 -6.811 8.631 1.00 0.00 C ATOM 1507 O GLN A 95 -0.266 -6.906 9.598 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.246 -4.324 8.519 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.255 -3.204 8.251 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.214 -2.183 9.369 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -0.614 -0.953 9.063 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 0.173 -2.492 10.496 1.00 0.00 N flip ATOM 0 H GLN A 95 -2.803 -5.192 6.773 1.00 0.00 H new ATOM 0 HA GLN A 95 0.022 -5.524 7.272 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.251 -3.970 8.290 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.227 -4.567 9.581 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.740 -3.629 8.115 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.519 -2.706 7.318 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.472 -3.448 10.688 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.195 -1.792 11.237 1.00 0.00 H new ATOM 1521 N TYR A 96 -1.923 -7.735 8.318 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.087 -8.947 9.107 1.00 0.00 C ATOM 1523 C TYR A 96 -2.168 -10.178 8.208 1.00 0.00 C ATOM 1524 O TYR A 96 -1.284 -11.035 8.232 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.349 -8.846 9.966 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.258 -7.798 11.050 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -3.069 -6.460 10.730 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.362 -8.145 12.391 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.986 -5.496 11.716 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -3.281 -7.186 13.382 1.00 0.00 C ATOM 1531 CZ TYR A 96 -3.092 -5.864 13.040 1.00 0.00 C ATOM 1532 OH TYR A 96 -3.011 -4.907 14.026 1.00 0.00 O ATOM 0 H TYR A 96 -2.554 -7.665 7.519 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.217 -9.052 9.755 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.199 -8.619 9.323 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.545 -9.815 10.424 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.986 -6.168 9.693 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.508 -9.180 12.663 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.839 -4.459 11.451 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -3.365 -7.471 14.420 1.00 0.00 H new ATOM 0 HH TYR A 96 -3.106 -5.333 14.904 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.234 -10.258 7.418 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.432 -11.385 6.512 1.00 0.00 C ATOM 1544 C ASN A 97 -2.360 -11.408 5.428 1.00 0.00 C ATOM 1545 O ASN A 97 -1.394 -10.646 5.477 1.00 0.00 O ATOM 1546 CB ASN A 97 -4.819 -11.312 5.873 1.00 0.00 C ATOM 1547 CG ASN A 97 -5.891 -11.933 6.746 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -5.881 -13.138 7.000 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -6.825 -11.111 7.211 1.00 0.00 N ATOM 0 H ASN A 97 -3.974 -9.557 7.387 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.354 -12.304 7.092 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.072 -10.270 5.678 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.799 -11.821 4.909 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.573 -11.472 7.804 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.795 -10.119 6.975 1.00 0.00 H new ATOM 1556 N GLY A 98 -2.537 -12.289 4.448 1.00 0.00 N ATOM 1557 CA GLY A 98 -1.579 -12.397 3.365 1.00 0.00 C ATOM 1558 C GLY A 98 -1.809 -11.363 2.280 1.00 0.00 C ATOM 1559 O GLY A 98 -0.945 -10.526 2.019 1.00 0.00 O ATOM 0 H GLY A 98 -3.328 -12.930 4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.571 -12.283 3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.638 -13.395 2.930 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.975 -11.421 1.648 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.296 -10.477 0.593 1.00 0.00 C ATOM 1565 C GLY A 99 -2.376 -10.608 -0.605 1.00 0.00 C ATOM 1566 O GLY A 99 -2.533 -9.896 -1.596 1.00 0.00 O ATOM 0 H GLY A 99 -3.705 -12.105 1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.327 -10.631 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.232 -9.462 0.986 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.414 -11.522 -0.516 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.482 -11.728 -1.610 1.00 0.00 C ATOM 1572 C GLY A 100 0.635 -10.703 -1.630 1.00 0.00 C ATOM 1573 O GLY A 100 1.479 -10.676 -0.734 1.00 0.00 O ATOM 0 H GLY A 100 -1.263 -12.123 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.052 -12.726 -1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.023 -11.687 -2.555 1.00 0.00 H new ATOM 1577 N LEU A 101 0.639 -9.857 -2.656 1.00 0.00 N ATOM 1578 CA LEU A 101 1.658 -8.825 -2.796 1.00 0.00 C ATOM 1579 C LEU A 101 3.032 -9.357 -2.398 1.00 0.00 C ATOM 1580 O LEU A 101 3.192 -10.545 -2.118 1.00 0.00 O ATOM 1581 CB LEU A 101 1.304 -7.613 -1.934 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.114 -7.068 -2.114 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -0.935 -7.986 -3.007 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.783 -6.895 -0.762 1.00 0.00 C ATOM 0 H LEU A 101 -0.055 -9.867 -3.404 1.00 0.00 H new ATOM 0 HA LEU A 101 1.693 -8.525 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.441 -7.882 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.012 -6.814 -2.153 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.053 -6.094 -2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.940 -7.579 -3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.461 -8.061 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.994 -8.976 -2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.792 -6.507 -0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.832 -7.858 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.206 -6.196 -0.157 1.00 0.00 H new ATOM 1596 N VAL A 102 4.019 -8.467 -2.374 1.00 0.00 N ATOM 1597 CA VAL A 102 5.380 -8.843 -2.006 1.00 0.00 C ATOM 1598 C VAL A 102 5.398 -9.600 -0.683 1.00 0.00 C ATOM 1599 O VAL A 102 6.073 -10.619 -0.546 1.00 0.00 O ATOM 1600 CB VAL A 102 6.288 -7.606 -1.881 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.840 -6.729 -0.721 1.00 0.00 C ATOM 1602 CG2 VAL A 102 7.740 -8.024 -1.715 1.00 0.00 C ATOM 0 H VAL A 102 3.902 -7.480 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 102 5.758 -9.487 -2.801 1.00 0.00 H new ATOM 0 HB VAL A 102 6.206 -7.023 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.494 -5.860 -0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.815 -6.399 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.890 -7.299 0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.367 -7.136 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 102 7.843 -8.630 -0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 102 8.053 -8.605 -2.582 1.00 0.00 H new ATOM 1612 N THR A 103 4.650 -9.088 0.286 1.00 0.00 N ATOM 1613 CA THR A 103 4.571 -9.704 1.604 1.00 0.00 C ATOM 1614 C THR A 103 3.570 -8.958 2.477 1.00 0.00 C ATOM 1615 O THR A 103 3.823 -8.708 3.656 1.00 0.00 O ATOM 1616 CB THR A 103 5.948 -9.711 2.273 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.830 -9.973 3.660 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.697 -8.404 2.115 1.00 0.00 C ATOM 0 H THR A 103 4.087 -8.244 0.183 1.00 0.00 H new ATOM 0 HA THR A 103 4.235 -10.734 1.484 1.00 0.00 H new ATOM 0 HB THR A 103 6.510 -10.497 1.769 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.409 -9.207 4.103 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.664 -8.477 2.612 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.848 -8.197 1.056 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.118 -7.597 2.564 1.00 0.00 H new ATOM 1626 N ARG A 104 2.434 -8.601 1.885 1.00 0.00 N ATOM 1627 CA ARG A 104 1.391 -7.874 2.596 1.00 0.00 C ATOM 1628 C ARG A 104 1.993 -6.776 3.464 1.00 0.00 C ATOM 1629 O ARG A 104 3.211 -6.689 3.617 1.00 0.00 O ATOM 1630 CB ARG A 104 0.557 -8.825 3.458 1.00 0.00 C ATOM 1631 CG ARG A 104 1.170 -10.205 3.631 1.00 0.00 C ATOM 1632 CD ARG A 104 1.547 -10.468 5.080 1.00 0.00 C ATOM 1633 NE ARG A 104 2.991 -10.414 5.289 1.00 0.00 N ATOM 1634 CZ ARG A 104 3.582 -10.740 6.434 1.00 0.00 C ATOM 1635 NH1 ARG A 104 2.854 -11.140 7.468 1.00 0.00 N ATOM 1636 NH2 ARG A 104 4.901 -10.666 6.547 1.00 0.00 N ATOM 0 H ARG A 104 2.213 -8.805 0.910 1.00 0.00 H new ATOM 0 HA ARG A 104 0.739 -7.414 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 104 0.415 -8.377 4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.431 -8.932 3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.463 -10.963 3.294 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.056 -10.293 3.002 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.060 -9.732 5.720 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.174 -11.447 5.379 1.00 0.00 H new ATOM 0 HE ARG A 104 3.579 -10.109 4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.839 -11.198 7.385 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.309 -11.390 8.346 1.00 0.00 H new ATOM 0 HH21 ARG A 104 5.464 -10.358 5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.352 -10.917 7.427 1.00 0.00 H new ATOM 1650 N LEU A 105 1.133 -5.940 4.032 1.00 0.00 N ATOM 1651 CA LEU A 105 1.583 -4.850 4.887 1.00 0.00 C ATOM 1652 C LEU A 105 2.505 -5.355 5.988 1.00 0.00 C ATOM 1653 O LEU A 105 2.136 -5.374 7.162 1.00 0.00 O ATOM 1654 CB LEU A 105 0.384 -4.121 5.493 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.274 -3.102 4.584 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.510 -2.959 3.299 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.704 -3.498 4.297 1.00 0.00 C ATOM 0 H LEU A 105 0.121 -5.996 3.916 1.00 0.00 H new ATOM 0 HA LEU A 105 2.148 -4.151 4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.362 -4.860 5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.707 -3.617 6.404 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.281 -2.137 5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.025 -2.224 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.524 -2.630 3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.547 -3.920 2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.163 -2.756 3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.721 -4.472 3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.261 -3.551 5.232 1.00 0.00 H new ATOM 1669 N ARG A 106 3.711 -5.756 5.600 1.00 0.00 N ATOM 1670 CA ARG A 106 4.692 -6.252 6.555 1.00 0.00 C ATOM 1671 C ARG A 106 5.059 -5.163 7.555 1.00 0.00 C ATOM 1672 O ARG A 106 5.221 -5.427 8.747 1.00 0.00 O ATOM 1673 CB ARG A 106 5.947 -6.731 5.825 1.00 0.00 C ATOM 1674 CG ARG A 106 6.629 -7.912 6.495 1.00 0.00 C ATOM 1675 CD ARG A 106 6.701 -7.732 8.003 1.00 0.00 C ATOM 1676 NE ARG A 106 7.418 -8.826 8.652 1.00 0.00 N ATOM 1677 CZ ARG A 106 7.052 -9.361 9.812 1.00 0.00 C ATOM 1678 NH1 ARG A 106 5.983 -8.902 10.448 1.00 0.00 N ATOM 1679 NH2 ARG A 106 7.755 -10.355 10.337 1.00 0.00 N ATOM 0 H ARG A 106 4.031 -5.747 4.632 1.00 0.00 H new ATOM 0 HA ARG A 106 4.253 -7.091 7.094 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.680 -7.007 4.805 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.655 -5.905 5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.085 -8.827 6.262 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.635 -8.028 6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.196 -6.788 8.232 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.691 -7.669 8.409 1.00 0.00 H new ATOM 0 HE ARG A 106 8.246 -9.201 8.189 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.440 -8.137 10.047 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.703 -9.314 11.338 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.578 -10.710 9.850 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.473 -10.765 11.228 1.00 0.00 H new ATOM 1693 N TYR A 107 5.186 -3.937 7.059 1.00 0.00 N ATOM 1694 CA TYR A 107 5.531 -2.801 7.905 1.00 0.00 C ATOM 1695 C TYR A 107 5.335 -1.481 7.166 1.00 0.00 C ATOM 1696 O TYR A 107 6.210 -1.040 6.420 1.00 0.00 O ATOM 1697 CB TYR A 107 6.979 -2.908 8.377 1.00 0.00 C ATOM 1698 CG TYR A 107 7.348 -1.840 9.377 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.990 -1.965 10.711 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.041 -0.706 8.985 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.315 -0.988 11.628 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.372 0.277 9.895 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.006 0.132 11.217 1.00 0.00 C ATOM 1704 OH TYR A 107 8.332 1.109 12.130 1.00 0.00 O ATOM 0 H TYR A 107 5.055 -3.705 6.074 1.00 0.00 H new ATOM 0 HA TYR A 107 4.865 -2.819 8.768 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.139 -3.889 8.824 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.643 -2.838 7.516 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.448 -2.841 11.036 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.327 -0.590 7.950 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.030 -1.100 12.664 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.914 1.154 9.574 1.00 0.00 H new ATOM 0 HH TYR A 107 8.819 1.830 11.678 1.00 0.00 H new ATOM 1714 N PRO A 108 4.181 -0.829 7.369 1.00 0.00 N ATOM 1715 CA PRO A 108 3.874 0.450 6.728 1.00 0.00 C ATOM 1716 C PRO A 108 4.976 1.486 6.948 1.00 0.00 C ATOM 1717 O PRO A 108 5.219 1.917 8.075 1.00 0.00 O ATOM 1718 CB PRO A 108 2.572 0.898 7.414 1.00 0.00 C ATOM 1719 CG PRO A 108 2.431 0.019 8.611 1.00 0.00 C ATOM 1720 CD PRO A 108 3.084 -1.275 8.235 1.00 0.00 C ATOM 0 HA PRO A 108 3.785 0.350 5.646 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.621 1.948 7.702 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.718 0.790 6.745 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.912 0.463 9.483 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.382 -0.130 8.867 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.449 -1.816 9.108 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.397 -1.941 7.712 1.00 0.00 H new ATOM 1728 N VAL A 109 5.633 1.885 5.863 1.00 0.00 N ATOM 1729 CA VAL A 109 6.699 2.875 5.930 1.00 0.00 C ATOM 1730 C VAL A 109 6.161 4.258 5.594 1.00 0.00 C ATOM 1731 O VAL A 109 5.505 4.443 4.569 1.00 0.00 O ATOM 1732 CB VAL A 109 7.846 2.540 4.959 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.716 1.422 5.512 1.00 0.00 C ATOM 1734 CG2 VAL A 109 7.293 2.172 3.591 1.00 0.00 C ATOM 0 H VAL A 109 5.444 1.535 4.924 1.00 0.00 H new ATOM 0 HA VAL A 109 7.086 2.862 6.949 1.00 0.00 H new ATOM 0 HB VAL A 109 8.472 3.426 4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.519 1.204 4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 109 9.144 1.732 6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.110 0.528 5.659 1.00 0.00 H new ATOM 0 HG21 VAL A 109 8.117 1.938 2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.642 1.303 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 109 6.724 3.011 3.191 1.00 0.00 H new ATOM 1744 N CYS A 110 6.431 5.223 6.461 1.00 0.00 N ATOM 1745 CA CYS A 110 5.964 6.584 6.251 1.00 0.00 C ATOM 1746 C CYS A 110 7.138 7.549 6.145 1.00 0.00 C ATOM 1747 O CYS A 110 7.572 8.133 7.138 1.00 0.00 O ATOM 1748 CB CYS A 110 5.031 7.002 7.392 1.00 0.00 C ATOM 1749 SG CYS A 110 5.229 8.719 7.922 1.00 0.00 S ATOM 0 H CYS A 110 6.971 5.088 7.316 1.00 0.00 H new ATOM 0 HA CYS A 110 5.411 6.618 5.312 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.999 6.848 7.077 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.205 6.348 8.246 1.00 0.00 H new ATOM 0 HG CYS A 110 6.491 8.974 8.104 1.00 0.00 H new ATOM 1755 N GLY A 111 7.648 7.708 4.929 1.00 0.00 N ATOM 1756 CA GLY A 111 8.768 8.601 4.705 1.00 0.00 C ATOM 1757 C GLY A 111 8.336 9.955 4.178 1.00 0.00 C ATOM 1758 O GLY A 111 7.788 10.054 3.079 1.00 0.00 O ATOM 0 H GLY A 111 7.305 7.234 4.094 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.313 8.736 5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.458 8.142 3.997 1.00 0.00 H new