USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 922 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 36 GLN : amide:sc= -5.36! C(o=-5.4!,f=-9.9!) USER MOD Set 1.2: A 38 THR OG1 : rot 180:sc= -0.0506 USER MOD Single : A 9 HIS : no HD1:sc= -0.809 X(o=-0.81,f=-0.54) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -124:sc= 0.134 USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.14) USER MOD Single : A 29 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.2) USER MOD Single : A 30 ASN : amide:sc= -0.24 K(o=-0.24,f=-1.4) USER MOD Single : A 31 MET CE :methyl -113:sc= -2.46 (180deg=-8.87!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 180:sc= -0.73 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.586 X(o=-0.59,f=-0.47) USER MOD Single : A 44 GLN : amide:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -82:sc= -1.21 USER MOD Single : A 47 ASN : amide:sc= -0.0676 K(o=-0.068,f=-0.89) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 53:sc= 0.0564 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -3.28 K(o=-3.3,f=-1.3) USER MOD Single : A 61 THR OG1 : rot 18:sc= 0.611 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.486 USER MOD Single : A 70 THR OG1 : rot 100:sc= -2.37 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -42:sc= 0.482 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0.66 K(o=0.66,f=-5.2!) USER MOD Single : A 114 LYS NZ :NH3+ -171:sc=0.000734 (180deg=0) USER MOD Single : A 118 TYR OH : rot -144:sc= 0.00265 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -9.785 20.276 -2.919 1.00 0.00 N ATOM 60 CA GLY A 7 -8.815 19.250 -2.574 1.00 0.00 C ATOM 61 C GLY A 7 -7.582 19.336 -3.474 1.00 0.00 C ATOM 62 O GLY A 7 -7.480 20.232 -4.310 1.00 0.00 O ATOM 0 HA2 GLY A 7 -8.517 19.362 -1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.272 18.265 -2.671 1.00 0.00 H new ATOM 66 N PRO A 8 -6.651 18.366 -3.268 1.00 0.00 N ATOM 67 CA PRO A 8 -5.428 18.323 -4.051 1.00 0.00 C ATOM 68 C PRO A 8 -5.701 17.808 -5.466 1.00 0.00 C ATOM 69 O PRO A 8 -6.855 17.675 -5.870 1.00 0.00 O ATOM 70 CB PRO A 8 -4.487 17.426 -3.264 1.00 0.00 C ATOM 71 CG PRO A 8 -5.368 16.630 -2.314 1.00 0.00 C ATOM 72 CD PRO A 8 -6.737 17.288 -2.287 1.00 0.00 C ATOM 0 HA PRO A 8 -4.987 19.309 -4.196 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.931 16.764 -3.928 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.753 18.016 -2.715 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.449 15.595 -2.645 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.933 16.612 -1.315 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.522 16.578 -2.547 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.971 17.674 -1.295 1.00 0.00 H new ATOM 80 N HIS A 9 -4.619 17.533 -6.180 1.00 0.00 N ATOM 81 CA HIS A 9 -4.727 17.036 -7.541 1.00 0.00 C ATOM 82 C HIS A 9 -3.336 16.962 -8.173 1.00 0.00 C ATOM 83 O HIS A 9 -2.621 17.962 -8.226 1.00 0.00 O ATOM 84 CB HIS A 9 -5.704 17.888 -8.355 1.00 0.00 C ATOM 85 CG HIS A 9 -5.539 19.375 -8.150 1.00 0.00 C ATOM 86 ND1 HIS A 9 -6.521 20.166 -7.580 1.00 0.00 N ATOM 87 CD2 HIS A 9 -4.498 20.205 -8.444 1.00 0.00 C ATOM 88 CE1 HIS A 9 -6.080 21.415 -7.538 1.00 0.00 C ATOM 89 NE2 HIS A 9 -4.827 21.437 -8.075 1.00 0.00 N ATOM 0 H HIS A 9 -3.663 17.645 -5.841 1.00 0.00 H new ATOM 0 HA HIS A 9 -5.137 16.026 -7.531 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.574 17.661 -9.413 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.723 17.606 -8.091 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.564 19.910 -8.900 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -6.618 22.266 -7.147 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -4.239 22.264 -8.177 1.00 0.00 H new ATOM 97 N GLY A 10 -2.993 15.769 -8.635 1.00 0.00 N ATOM 98 CA GLY A 10 -1.700 15.552 -9.262 1.00 0.00 C ATOM 99 C GLY A 10 -1.395 14.058 -9.387 1.00 0.00 C ATOM 100 O GLY A 10 -2.292 13.258 -9.651 1.00 0.00 O ATOM 0 H GLY A 10 -3.588 14.942 -8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.689 16.013 -10.250 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.921 16.038 -8.675 1.00 0.00 H new ATOM 104 N THR A 11 -0.127 13.727 -9.191 1.00 0.00 N ATOM 105 CA THR A 11 0.307 12.343 -9.279 1.00 0.00 C ATOM 106 C THR A 11 0.743 11.833 -7.904 1.00 0.00 C ATOM 107 O THR A 11 1.296 12.586 -7.105 1.00 0.00 O ATOM 108 CB THR A 11 1.410 12.260 -10.336 1.00 0.00 C ATOM 109 OG1 THR A 11 0.767 12.664 -11.542 1.00 0.00 O ATOM 110 CG2 THR A 11 1.849 10.820 -10.612 1.00 0.00 C ATOM 0 H THR A 11 0.614 14.393 -8.972 1.00 0.00 H new ATOM 0 HA THR A 11 -0.510 11.691 -9.589 1.00 0.00 H new ATOM 0 HB THR A 11 2.270 12.846 -10.010 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.411 12.641 -12.280 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.633 10.817 -11.369 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.230 10.373 -9.694 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.997 10.242 -10.970 1.00 0.00 H new ATOM 118 N LEU A 12 0.476 10.556 -7.671 1.00 0.00 N ATOM 119 CA LEU A 12 0.834 9.936 -6.406 1.00 0.00 C ATOM 120 C LEU A 12 1.890 8.856 -6.653 1.00 0.00 C ATOM 121 O LEU A 12 1.852 8.167 -7.671 1.00 0.00 O ATOM 122 CB LEU A 12 -0.416 9.421 -5.690 1.00 0.00 C ATOM 123 CG LEU A 12 -0.178 8.390 -4.584 1.00 0.00 C ATOM 124 CD1 LEU A 12 0.114 7.010 -5.174 1.00 0.00 C ATOM 125 CD2 LEU A 12 0.928 8.852 -3.633 1.00 0.00 C ATOM 0 H LEU A 12 0.016 9.934 -8.336 1.00 0.00 H new ATOM 0 HA LEU A 12 1.279 10.670 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.940 10.273 -5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.081 8.981 -6.433 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.092 8.302 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.279 6.297 -4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.734 6.685 -5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.005 7.063 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.077 8.102 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.855 8.986 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.641 9.798 -3.173 1.00 0.00 H new ATOM 137 N GLU A 13 2.808 8.743 -5.704 1.00 0.00 N ATOM 138 CA GLU A 13 3.872 7.760 -5.806 1.00 0.00 C ATOM 139 C GLU A 13 3.824 6.800 -4.615 1.00 0.00 C ATOM 140 O GLU A 13 3.874 7.231 -3.464 1.00 0.00 O ATOM 141 CB GLU A 13 5.239 8.439 -5.908 1.00 0.00 C ATOM 142 CG GLU A 13 6.201 7.612 -6.764 1.00 0.00 C ATOM 143 CD GLU A 13 7.640 7.752 -6.263 1.00 0.00 C ATOM 144 OE1 GLU A 13 8.044 8.909 -6.014 1.00 0.00 O ATOM 145 OE2 GLU A 13 8.302 6.700 -6.140 1.00 0.00 O ATOM 0 H GLU A 13 2.836 9.316 -4.861 1.00 0.00 H new ATOM 0 HA GLU A 13 3.721 7.184 -6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.124 9.433 -6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.658 8.573 -4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.904 6.563 -6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.141 7.937 -7.803 1.00 0.00 H new ATOM 152 N VAL A 14 3.728 5.518 -4.933 1.00 0.00 N ATOM 153 CA VAL A 14 3.673 4.494 -3.903 1.00 0.00 C ATOM 154 C VAL A 14 4.917 3.609 -4.002 1.00 0.00 C ATOM 155 O VAL A 14 5.074 2.857 -4.963 1.00 0.00 O ATOM 156 CB VAL A 14 2.367 3.705 -4.020 1.00 0.00 C ATOM 157 CG1 VAL A 14 2.269 2.642 -2.924 1.00 0.00 C ATOM 158 CG2 VAL A 14 1.156 4.639 -3.987 1.00 0.00 C ATOM 0 H VAL A 14 3.687 5.164 -5.889 1.00 0.00 H new ATOM 0 HA VAL A 14 3.676 4.948 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 14 2.370 3.195 -4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.332 2.096 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.105 1.949 -3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.300 3.123 -1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.241 4.052 -4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.147 5.190 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.215 5.341 -4.819 1.00 0.00 H new ATOM 168 N VAL A 15 5.770 3.729 -2.996 1.00 0.00 N ATOM 169 CA VAL A 15 6.996 2.949 -2.957 1.00 0.00 C ATOM 170 C VAL A 15 6.812 1.764 -2.007 1.00 0.00 C ATOM 171 O VAL A 15 7.082 1.875 -0.812 1.00 0.00 O ATOM 172 CB VAL A 15 8.175 3.846 -2.574 1.00 0.00 C ATOM 173 CG1 VAL A 15 9.492 3.069 -2.616 1.00 0.00 C ATOM 174 CG2 VAL A 15 8.238 5.083 -3.473 1.00 0.00 C ATOM 0 H VAL A 15 5.637 4.354 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 15 7.222 2.542 -3.943 1.00 0.00 H new ATOM 0 HB VAL A 15 8.019 4.185 -1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.313 3.730 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.445 2.236 -1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.657 2.687 -3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.085 5.703 -3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.358 4.773 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.316 5.655 -3.370 1.00 0.00 H new ATOM 184 N LEU A 16 6.355 0.658 -2.574 1.00 0.00 N ATOM 185 CA LEU A 16 6.132 -0.547 -1.792 1.00 0.00 C ATOM 186 C LEU A 16 7.481 -1.165 -1.420 1.00 0.00 C ATOM 187 O LEU A 16 8.023 -1.977 -2.168 1.00 0.00 O ATOM 188 CB LEU A 16 5.201 -1.505 -2.537 1.00 0.00 C ATOM 189 CG LEU A 16 5.235 -2.965 -2.081 1.00 0.00 C ATOM 190 CD1 LEU A 16 4.527 -3.135 -0.735 1.00 0.00 C ATOM 191 CD2 LEU A 16 4.657 -3.889 -3.154 1.00 0.00 C ATOM 0 H LEU A 16 6.133 0.570 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 16 5.623 -0.307 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.180 -1.138 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.450 -1.471 -3.598 1.00 0.00 H new ATOM 0 HG LEU A 16 6.276 -3.253 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.565 -4.182 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.024 -2.522 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.487 -2.822 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.693 -4.921 -2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.623 -3.610 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.243 -3.795 -4.069 1.00 0.00 H new ATOM 203 N VAL A 17 7.984 -0.758 -0.264 1.00 0.00 N ATOM 204 CA VAL A 17 9.260 -1.262 0.216 1.00 0.00 C ATOM 205 C VAL A 17 9.111 -2.737 0.592 1.00 0.00 C ATOM 206 O VAL A 17 9.367 -3.619 -0.227 1.00 0.00 O ATOM 207 CB VAL A 17 9.761 -0.397 1.375 1.00 0.00 C ATOM 208 CG1 VAL A 17 10.969 -1.042 2.057 1.00 0.00 C ATOM 209 CG2 VAL A 17 10.091 1.019 0.899 1.00 0.00 C ATOM 0 H VAL A 17 7.531 -0.085 0.354 1.00 0.00 H new ATOM 0 HA VAL A 17 10.015 -1.201 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 17 8.960 -0.325 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.306 -0.408 2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.687 -2.020 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.776 -1.159 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.445 1.613 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.867 0.974 0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.196 1.480 0.480 1.00 0.00 H new ATOM 219 N SER A 18 8.698 -2.961 1.831 1.00 0.00 N ATOM 220 CA SER A 18 8.512 -4.315 2.325 1.00 0.00 C ATOM 221 C SER A 18 7.482 -4.322 3.456 1.00 0.00 C ATOM 222 O SER A 18 6.896 -3.288 3.774 1.00 0.00 O ATOM 223 CB SER A 18 9.836 -4.911 2.809 1.00 0.00 C ATOM 224 OG SER A 18 10.309 -4.271 3.991 1.00 0.00 O ATOM 0 H SER A 18 8.487 -2.227 2.508 1.00 0.00 H new ATOM 0 HA SER A 18 8.145 -4.932 1.504 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.706 -5.976 3.001 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.585 -4.818 2.022 1.00 0.00 H new ATOM 0 HG SER A 18 11.214 -3.929 3.838 1.00 0.00 H new ATOM 230 N ALA A 19 7.292 -5.500 4.032 1.00 0.00 N ATOM 231 CA ALA A 19 6.342 -5.656 5.121 1.00 0.00 C ATOM 232 C ALA A 19 6.930 -6.597 6.174 1.00 0.00 C ATOM 233 O ALA A 19 7.811 -7.401 5.871 1.00 0.00 O ATOM 234 CB ALA A 19 5.009 -6.161 4.567 1.00 0.00 C ATOM 0 H ALA A 19 7.780 -6.355 3.765 1.00 0.00 H new ATOM 0 HA ALA A 19 6.152 -4.698 5.605 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.297 -6.278 5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.619 -5.443 3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.160 -7.123 4.076 1.00 0.00 H new ATOM 240 N LYS A 20 6.420 -6.466 7.389 1.00 0.00 N ATOM 241 CA LYS A 20 6.883 -7.294 8.489 1.00 0.00 C ATOM 242 C LYS A 20 5.676 -7.847 9.250 1.00 0.00 C ATOM 243 O LYS A 20 4.644 -7.185 9.349 1.00 0.00 O ATOM 244 CB LYS A 20 7.862 -6.516 9.371 1.00 0.00 C ATOM 245 CG LYS A 20 9.124 -6.141 8.591 1.00 0.00 C ATOM 246 CD LYS A 20 9.278 -4.622 8.494 1.00 0.00 C ATOM 247 CE LYS A 20 10.750 -4.214 8.580 1.00 0.00 C ATOM 248 NZ LYS A 20 10.999 -3.002 7.767 1.00 0.00 N ATOM 0 H LYS A 20 5.690 -5.798 7.636 1.00 0.00 H new ATOM 0 HA LYS A 20 7.442 -8.150 8.111 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.380 -5.613 9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.132 -7.117 10.239 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.999 -6.568 9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.078 -6.570 7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.853 -4.269 7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.717 -4.144 9.297 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.021 -4.025 9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.381 -5.031 8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.926 -2.601 8.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.990 -3.253 6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.256 -2.299 7.955 1.00 0.00 H new ATOM 262 N GLY A 21 5.845 -9.055 9.768 1.00 0.00 N ATOM 263 CA GLY A 21 4.783 -9.704 10.516 1.00 0.00 C ATOM 264 C GLY A 21 5.165 -9.857 11.990 1.00 0.00 C ATOM 265 O GLY A 21 6.346 -9.838 12.334 1.00 0.00 O ATOM 0 H GLY A 21 6.702 -9.601 9.684 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.866 -9.121 10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.577 -10.684 10.086 1.00 0.00 H new ATOM 269 N LEU A 22 4.143 -10.006 12.821 1.00 0.00 N ATOM 270 CA LEU A 22 4.358 -10.162 14.249 1.00 0.00 C ATOM 271 C LEU A 22 5.231 -11.394 14.498 1.00 0.00 C ATOM 272 O LEU A 22 5.795 -11.958 13.562 1.00 0.00 O ATOM 273 CB LEU A 22 3.020 -10.197 14.991 1.00 0.00 C ATOM 274 CG LEU A 22 2.321 -8.849 15.179 1.00 0.00 C ATOM 275 CD1 LEU A 22 3.342 -7.723 15.353 1.00 0.00 C ATOM 276 CD2 LEU A 22 1.350 -8.570 14.030 1.00 0.00 C ATOM 0 H LEU A 22 3.165 -10.022 12.532 1.00 0.00 H new ATOM 0 HA LEU A 22 4.897 -9.303 14.649 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.345 -10.861 14.451 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.184 -10.639 15.974 1.00 0.00 H new ATOM 0 HG LEU A 22 1.731 -8.894 16.095 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.820 -6.775 15.485 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.958 -7.923 16.230 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.977 -7.667 14.469 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.867 -7.606 14.188 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.897 -8.551 13.088 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.593 -9.354 13.995 1.00 0.00 H new ATOM 288 N GLU A 23 5.315 -11.774 15.764 1.00 0.00 N ATOM 289 CA GLU A 23 6.110 -12.928 16.147 1.00 0.00 C ATOM 290 C GLU A 23 5.210 -14.147 16.357 1.00 0.00 C ATOM 291 O GLU A 23 5.651 -15.284 16.199 1.00 0.00 O ATOM 292 CB GLU A 23 6.935 -12.634 17.402 1.00 0.00 C ATOM 293 CG GLU A 23 6.227 -11.615 18.297 1.00 0.00 C ATOM 294 CD GLU A 23 6.843 -11.594 19.698 1.00 0.00 C ATOM 295 OE1 GLU A 23 8.007 -11.150 19.799 1.00 0.00 O ATOM 296 OE2 GLU A 23 6.136 -12.022 20.635 1.00 0.00 O ATOM 0 H GLU A 23 4.846 -11.303 16.538 1.00 0.00 H new ATOM 0 HA GLU A 23 6.806 -13.149 15.338 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.101 -13.557 17.957 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.915 -12.253 17.116 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.297 -10.623 17.850 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.167 -11.860 18.365 1.00 0.00 H new ATOM 303 N ASP A 24 3.963 -13.869 16.710 1.00 0.00 N ATOM 304 CA ASP A 24 2.997 -14.928 16.943 1.00 0.00 C ATOM 305 C ASP A 24 1.797 -14.731 16.015 1.00 0.00 C ATOM 306 O ASP A 24 0.661 -14.626 16.476 1.00 0.00 O ATOM 307 CB ASP A 24 2.488 -14.902 18.386 1.00 0.00 C ATOM 308 CG ASP A 24 3.438 -15.511 19.418 1.00 0.00 C ATOM 309 OD1 ASP A 24 3.316 -16.733 19.651 1.00 0.00 O ATOM 310 OD2 ASP A 24 4.266 -14.741 19.952 1.00 0.00 O ATOM 0 H ASP A 24 3.600 -12.925 16.840 1.00 0.00 H new ATOM 0 HA ASP A 24 3.489 -15.881 16.751 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.287 -13.868 18.666 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.538 -15.435 18.430 1.00 0.00 H new ATOM 315 N ALA A 25 2.089 -14.688 14.724 1.00 0.00 N ATOM 316 CA ALA A 25 1.048 -14.505 13.726 1.00 0.00 C ATOM 317 C ALA A 25 1.443 -15.240 12.443 1.00 0.00 C ATOM 318 O ALA A 25 2.494 -14.967 11.866 1.00 0.00 O ATOM 319 CB ALA A 25 0.819 -13.010 13.495 1.00 0.00 C ATOM 0 H ALA A 25 3.032 -14.777 14.345 1.00 0.00 H new ATOM 0 HA ALA A 25 0.105 -14.929 14.072 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.038 -12.873 12.747 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.512 -12.540 14.430 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.743 -12.550 13.144 1.00 0.00 H new ATOM 325 N ASP A 26 0.579 -16.157 12.035 1.00 0.00 N ATOM 326 CA ASP A 26 0.824 -16.933 10.831 1.00 0.00 C ATOM 327 C ASP A 26 0.636 -16.037 9.605 1.00 0.00 C ATOM 328 O ASP A 26 -0.229 -16.295 8.770 1.00 0.00 O ATOM 329 CB ASP A 26 -0.159 -18.100 10.719 1.00 0.00 C ATOM 330 CG ASP A 26 -0.113 -18.858 9.391 1.00 0.00 C ATOM 331 OD1 ASP A 26 0.870 -18.645 8.649 1.00 0.00 O ATOM 332 OD2 ASP A 26 -1.063 -19.634 9.147 1.00 0.00 O ATOM 0 H ASP A 26 -0.292 -16.380 12.517 1.00 0.00 H new ATOM 0 HA ASP A 26 1.841 -17.322 10.881 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.040 -18.802 11.528 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.170 -17.720 10.869 1.00 0.00 H new ATOM 337 N PHE A 27 1.462 -15.003 9.536 1.00 0.00 N ATOM 338 CA PHE A 27 1.398 -14.068 8.426 1.00 0.00 C ATOM 339 C PHE A 27 2.745 -13.980 7.705 1.00 0.00 C ATOM 340 O PHE A 27 3.763 -13.665 8.319 1.00 0.00 O ATOM 341 CB PHE A 27 1.059 -12.697 9.015 1.00 0.00 C ATOM 342 CG PHE A 27 0.927 -11.586 7.971 1.00 0.00 C ATOM 343 CD1 PHE A 27 0.075 -11.737 6.922 1.00 0.00 C ATOM 344 CD2 PHE A 27 1.663 -10.449 8.093 1.00 0.00 C ATOM 345 CE1 PHE A 27 -0.047 -10.706 5.953 1.00 0.00 C ATOM 346 CE2 PHE A 27 1.540 -9.418 7.124 1.00 0.00 C ATOM 347 CZ PHE A 27 0.688 -9.568 6.075 1.00 0.00 C ATOM 0 H PHE A 27 2.179 -14.792 10.231 1.00 0.00 H new ATOM 0 HA PHE A 27 0.650 -14.398 7.705 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.124 -12.773 9.570 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.833 -12.419 9.730 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.509 -12.641 6.826 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.340 -10.330 8.926 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.723 -10.825 5.119 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.124 -8.514 7.220 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.595 -8.784 5.339 1.00 0.00 H new ATOM 357 N LEU A 28 2.707 -14.264 6.411 1.00 0.00 N ATOM 358 CA LEU A 28 3.911 -14.222 5.600 1.00 0.00 C ATOM 359 C LEU A 28 4.885 -15.298 6.084 1.00 0.00 C ATOM 360 O LEU A 28 5.867 -14.993 6.759 1.00 0.00 O ATOM 361 CB LEU A 28 4.505 -12.812 5.596 1.00 0.00 C ATOM 362 CG LEU A 28 3.814 -11.795 4.684 1.00 0.00 C ATOM 363 CD1 LEU A 28 2.313 -12.077 4.589 1.00 0.00 C ATOM 364 CD2 LEU A 28 4.101 -10.364 5.142 1.00 0.00 C ATOM 0 H LEU A 28 1.861 -14.524 5.905 1.00 0.00 H new ATOM 0 HA LEU A 28 3.677 -14.448 4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.485 -12.428 6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.552 -12.881 5.302 1.00 0.00 H new ATOM 0 HG LEU A 28 4.226 -11.900 3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.845 -11.341 3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.155 -13.076 4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.868 -12.016 5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.598 -9.661 4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.734 -10.227 6.159 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.175 -10.182 5.117 1.00 0.00 H new ATOM 376 N ASN A 29 4.580 -16.534 5.719 1.00 0.00 N ATOM 377 CA ASN A 29 5.416 -17.657 6.108 1.00 0.00 C ATOM 378 C ASN A 29 5.179 -18.822 5.144 1.00 0.00 C ATOM 379 O ASN A 29 4.045 -19.265 4.969 1.00 0.00 O ATOM 380 CB ASN A 29 5.075 -18.135 7.520 1.00 0.00 C ATOM 381 CG ASN A 29 5.936 -19.337 7.915 1.00 0.00 C ATOM 382 OD1 ASN A 29 5.748 -20.448 7.449 1.00 0.00 O ATOM 383 ND2 ASN A 29 6.889 -19.052 8.799 1.00 0.00 N ATOM 0 H ASN A 29 3.765 -16.783 5.158 1.00 0.00 H new ATOM 0 HA ASN A 29 6.455 -17.329 6.080 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.230 -17.323 8.230 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.020 -18.406 7.571 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.517 -19.786 9.127 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.992 -18.099 9.149 1.00 0.00 H new ATOM 390 N ASN A 30 6.266 -19.284 4.545 1.00 0.00 N ATOM 391 CA ASN A 30 6.191 -20.388 3.604 1.00 0.00 C ATOM 392 C ASN A 30 5.178 -20.050 2.508 1.00 0.00 C ATOM 393 O ASN A 30 4.297 -20.853 2.204 1.00 0.00 O ATOM 394 CB ASN A 30 5.727 -21.671 4.297 1.00 0.00 C ATOM 395 CG ASN A 30 5.901 -22.883 3.380 1.00 0.00 C ATOM 396 OD1 ASN A 30 6.697 -22.886 2.455 1.00 0.00 O ATOM 397 ND2 ASN A 30 5.114 -23.911 3.686 1.00 0.00 N ATOM 0 H ASN A 30 7.205 -18.913 4.693 1.00 0.00 H new ATOM 0 HA ASN A 30 7.185 -20.543 3.186 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.297 -21.820 5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 30 4.680 -21.575 4.584 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.155 -24.767 3.133 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.469 -23.843 4.474 1.00 0.00 H new ATOM 404 N MET A 31 5.338 -18.862 1.946 1.00 0.00 N ATOM 405 CA MET A 31 4.448 -18.408 0.890 1.00 0.00 C ATOM 406 C MET A 31 5.082 -17.266 0.093 1.00 0.00 C ATOM 407 O MET A 31 6.209 -16.860 0.372 1.00 0.00 O ATOM 408 CB MET A 31 3.129 -17.933 1.503 1.00 0.00 C ATOM 409 CG MET A 31 3.379 -17.073 2.744 1.00 0.00 C ATOM 410 SD MET A 31 1.829 -16.684 3.539 1.00 0.00 S ATOM 411 CE MET A 31 1.218 -15.428 2.429 1.00 0.00 C ATOM 0 H MET A 31 6.070 -18.199 2.201 1.00 0.00 H new ATOM 0 HA MET A 31 4.264 -19.241 0.212 1.00 0.00 H new ATOM 0 HB2 MET A 31 2.567 -17.359 0.766 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.517 -18.794 1.770 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.031 -17.603 3.439 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.893 -16.154 2.462 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.195 -14.467 2.944 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.874 -15.359 1.561 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.211 -15.689 2.103 1.00 0.00 H new ATOM 421 N ASP A 32 4.329 -16.779 -0.883 1.00 0.00 N ATOM 422 CA ASP A 32 4.803 -15.692 -1.723 1.00 0.00 C ATOM 423 C ASP A 32 3.666 -14.692 -1.943 1.00 0.00 C ATOM 424 O ASP A 32 3.087 -14.634 -3.026 1.00 0.00 O ATOM 425 CB ASP A 32 5.250 -16.208 -3.092 1.00 0.00 C ATOM 426 CG ASP A 32 6.462 -17.142 -3.066 1.00 0.00 C ATOM 427 OD1 ASP A 32 7.087 -17.231 -1.987 1.00 0.00 O ATOM 428 OD2 ASP A 32 6.736 -17.746 -4.126 1.00 0.00 O ATOM 0 H ASP A 32 3.394 -17.117 -1.111 1.00 0.00 H new ATOM 0 HA ASP A 32 5.649 -15.222 -1.221 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.415 -16.733 -3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.482 -15.354 -3.728 1.00 0.00 H new ATOM 433 N PRO A 33 3.374 -13.908 -0.870 1.00 0.00 N ATOM 434 CA PRO A 33 2.318 -12.913 -0.936 1.00 0.00 C ATOM 435 C PRO A 33 2.762 -11.695 -1.749 1.00 0.00 C ATOM 436 O PRO A 33 3.938 -11.561 -2.081 1.00 0.00 O ATOM 437 CB PRO A 33 2.002 -12.578 0.513 1.00 0.00 C ATOM 438 CG PRO A 33 3.203 -13.046 1.319 1.00 0.00 C ATOM 439 CD PRO A 33 4.040 -13.949 0.429 1.00 0.00 C ATOM 0 HA PRO A 33 1.428 -13.277 -1.450 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.839 -11.508 0.640 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.092 -13.080 0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.791 -12.193 1.658 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.878 -13.583 2.210 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.068 -13.593 0.359 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.080 -14.965 0.822 1.00 0.00 H new ATOM 447 N TYR A 34 1.796 -10.837 -2.045 1.00 0.00 N ATOM 448 CA TYR A 34 2.073 -9.635 -2.812 1.00 0.00 C ATOM 449 C TYR A 34 1.068 -8.529 -2.480 1.00 0.00 C ATOM 450 O TYR A 34 -0.104 -8.805 -2.229 1.00 0.00 O ATOM 451 CB TYR A 34 1.914 -10.027 -4.282 1.00 0.00 C ATOM 452 CG TYR A 34 0.497 -10.463 -4.660 1.00 0.00 C ATOM 453 CD1 TYR A 34 -0.509 -9.524 -4.769 1.00 0.00 C ATOM 454 CD2 TYR A 34 0.224 -11.797 -4.892 1.00 0.00 C ATOM 455 CE1 TYR A 34 -1.842 -9.936 -5.125 1.00 0.00 C ATOM 456 CE2 TYR A 34 -1.109 -12.208 -5.247 1.00 0.00 C ATOM 457 CZ TYR A 34 -2.077 -11.257 -5.346 1.00 0.00 C ATOM 458 OH TYR A 34 -3.336 -11.645 -5.682 1.00 0.00 O ATOM 0 H TYR A 34 0.821 -10.951 -1.767 1.00 0.00 H new ATOM 0 HA TYR A 34 3.070 -9.256 -2.586 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.201 -9.181 -4.906 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.605 -10.839 -4.508 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.296 -8.481 -4.587 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.011 -12.532 -4.807 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.638 -9.212 -5.215 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.336 -13.248 -5.431 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.356 -12.616 -5.811 1.00 0.00 H new ATOM 468 N VAL A 35 1.565 -7.301 -2.488 1.00 0.00 N ATOM 469 CA VAL A 35 0.726 -6.152 -2.191 1.00 0.00 C ATOM 470 C VAL A 35 0.108 -5.628 -3.489 1.00 0.00 C ATOM 471 O VAL A 35 0.761 -5.615 -4.531 1.00 0.00 O ATOM 472 CB VAL A 35 1.536 -5.092 -1.444 1.00 0.00 C ATOM 473 CG1 VAL A 35 0.630 -3.972 -0.927 1.00 0.00 C ATOM 474 CG2 VAL A 35 2.338 -5.718 -0.301 1.00 0.00 C ATOM 0 H VAL A 35 2.538 -7.076 -2.695 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.094 -6.438 -1.533 1.00 0.00 H new ATOM 0 HB VAL A 35 2.243 -4.654 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.232 -3.232 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.124 -3.497 -1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.111 -4.389 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.905 -4.942 0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.656 -6.196 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.025 -6.462 -0.704 1.00 0.00 H new ATOM 484 N GLN A 36 -1.145 -5.209 -3.383 1.00 0.00 N ATOM 485 CA GLN A 36 -1.858 -4.685 -4.535 1.00 0.00 C ATOM 486 C GLN A 36 -2.343 -3.260 -4.257 1.00 0.00 C ATOM 487 O GLN A 36 -3.402 -3.066 -3.662 1.00 0.00 O ATOM 488 CB GLN A 36 -3.026 -5.596 -4.917 1.00 0.00 C ATOM 489 CG GLN A 36 -3.900 -4.946 -5.992 1.00 0.00 C ATOM 490 CD GLN A 36 -5.352 -5.416 -5.877 1.00 0.00 C ATOM 491 OE1 GLN A 36 -5.638 -6.556 -5.550 1.00 0.00 O ATOM 492 NE2 GLN A 36 -6.248 -4.476 -6.163 1.00 0.00 N ATOM 0 H GLN A 36 -1.684 -5.222 -2.517 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.171 -4.655 -5.380 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.644 -6.550 -5.282 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.628 -5.810 -4.034 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.856 -3.861 -5.894 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.511 -5.193 -6.980 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.939 -3.541 -6.430 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.244 -4.690 -6.115 1.00 0.00 H new ATOM 501 N LEU A 37 -1.544 -2.301 -4.700 1.00 0.00 N ATOM 502 CA LEU A 37 -1.877 -0.900 -4.506 1.00 0.00 C ATOM 503 C LEU A 37 -3.127 -0.560 -5.321 1.00 0.00 C ATOM 504 O LEU A 37 -3.121 -0.666 -6.547 1.00 0.00 O ATOM 505 CB LEU A 37 -0.673 -0.013 -4.828 1.00 0.00 C ATOM 506 CG LEU A 37 0.458 -0.018 -3.799 1.00 0.00 C ATOM 507 CD1 LEU A 37 0.146 -0.974 -2.646 1.00 0.00 C ATOM 508 CD2 LEU A 37 1.801 -0.335 -4.460 1.00 0.00 C ATOM 0 H LEU A 37 -0.666 -2.466 -5.193 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.115 -0.706 -3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.264 -0.324 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.024 1.012 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 37 0.538 0.983 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.966 -0.959 -1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.774 -0.661 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.023 -1.985 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.588 -0.332 -3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.752 -1.317 -4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.021 0.418 -5.216 1.00 0.00 H new ATOM 520 N THR A 38 -4.169 -0.160 -4.608 1.00 0.00 N ATOM 521 CA THR A 38 -5.423 0.196 -5.249 1.00 0.00 C ATOM 522 C THR A 38 -5.713 1.687 -5.064 1.00 0.00 C ATOM 523 O THR A 38 -5.523 2.229 -3.976 1.00 0.00 O ATOM 524 CB THR A 38 -6.518 -0.711 -4.684 1.00 0.00 C ATOM 525 OG1 THR A 38 -5.922 -2.006 -4.669 1.00 0.00 O ATOM 526 CG2 THR A 38 -7.706 -0.858 -5.636 1.00 0.00 C ATOM 0 H THR A 38 -4.171 -0.074 -3.592 1.00 0.00 H new ATOM 0 HA THR A 38 -5.374 0.038 -6.326 1.00 0.00 H new ATOM 0 HB THR A 38 -6.865 -0.311 -3.731 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.563 -2.657 -4.315 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.454 -1.511 -5.187 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.146 0.122 -5.823 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.366 -1.289 -6.578 1.00 0.00 H new ATOM 534 N CYS A 39 -6.170 2.307 -6.142 1.00 0.00 N ATOM 535 CA CYS A 39 -6.488 3.724 -6.112 1.00 0.00 C ATOM 536 C CYS A 39 -7.746 3.952 -6.952 1.00 0.00 C ATOM 537 O CYS A 39 -7.693 3.908 -8.180 1.00 0.00 O ATOM 538 CB CYS A 39 -5.315 4.578 -6.598 1.00 0.00 C ATOM 539 SG CYS A 39 -5.412 6.251 -5.862 1.00 0.00 S ATOM 0 H CYS A 39 -6.328 1.854 -7.042 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.677 4.035 -5.084 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.372 4.105 -6.324 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.332 4.649 -7.686 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.411 6.967 -6.279 1.00 0.00 H new ATOM 545 N ARG A 40 -8.848 4.191 -6.257 1.00 0.00 N ATOM 546 CA ARG A 40 -10.118 4.426 -6.923 1.00 0.00 C ATOM 547 C ARG A 40 -10.553 3.176 -7.691 1.00 0.00 C ATOM 548 O ARG A 40 -11.161 2.272 -7.119 1.00 0.00 O ATOM 549 CB ARG A 40 -10.020 5.604 -7.894 1.00 0.00 C ATOM 550 CG ARG A 40 -10.371 6.920 -7.197 1.00 0.00 C ATOM 551 CD ARG A 40 -11.782 6.869 -6.607 1.00 0.00 C ATOM 552 NE ARG A 40 -12.621 7.928 -7.212 1.00 0.00 N ATOM 553 CZ ARG A 40 -13.949 8.016 -7.053 1.00 0.00 C ATOM 554 NH1 ARG A 40 -14.596 7.110 -6.308 1.00 0.00 N ATOM 555 NH2 ARG A 40 -14.629 9.011 -7.639 1.00 0.00 N ATOM 0 H ARG A 40 -8.888 4.227 -5.238 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.857 4.662 -6.157 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.010 5.662 -8.300 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.694 5.443 -8.736 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.649 7.120 -6.405 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.300 7.743 -7.909 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.227 5.891 -6.791 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.738 7.001 -5.526 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.160 8.634 -7.785 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.078 6.353 -5.862 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.607 7.177 -6.187 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.136 9.701 -8.206 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.640 9.078 -7.518 1.00 0.00 H new ATOM 569 N THR A 41 -10.226 3.165 -8.974 1.00 0.00 N ATOM 570 CA THR A 41 -10.576 2.041 -9.826 1.00 0.00 C ATOM 571 C THR A 41 -9.313 1.367 -10.366 1.00 0.00 C ATOM 572 O THR A 41 -9.347 0.204 -10.765 1.00 0.00 O ATOM 573 CB THR A 41 -11.509 2.553 -10.925 1.00 0.00 C ATOM 574 OG1 THR A 41 -11.130 1.806 -12.078 1.00 0.00 O ATOM 575 CG2 THR A 41 -11.219 4.005 -11.310 1.00 0.00 C ATOM 0 H THR A 41 -9.722 3.917 -9.445 1.00 0.00 H new ATOM 0 HA THR A 41 -11.104 1.269 -9.265 1.00 0.00 H new ATOM 0 HB THR A 41 -12.543 2.465 -10.593 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.687 2.074 -12.839 1.00 0.00 H new ATOM 0 HG21 THR A 41 -11.909 4.318 -12.093 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.346 4.645 -10.437 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.195 4.087 -11.674 1.00 0.00 H new ATOM 583 N GLN A 42 -8.228 2.128 -10.363 1.00 0.00 N ATOM 584 CA GLN A 42 -6.956 1.619 -10.848 1.00 0.00 C ATOM 585 C GLN A 42 -6.156 1.006 -9.697 1.00 0.00 C ATOM 586 O GLN A 42 -5.921 1.660 -8.682 1.00 0.00 O ATOM 587 CB GLN A 42 -6.155 2.721 -11.546 1.00 0.00 C ATOM 588 CG GLN A 42 -5.584 3.711 -10.530 1.00 0.00 C ATOM 589 CD GLN A 42 -5.547 5.128 -11.106 1.00 0.00 C ATOM 590 OE1 GLN A 42 -5.472 5.336 -12.306 1.00 0.00 O ATOM 591 NE2 GLN A 42 -5.603 6.088 -10.187 1.00 0.00 N ATOM 0 H GLN A 42 -8.204 3.093 -10.033 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.155 0.839 -11.582 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.343 2.276 -12.122 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.795 3.249 -12.253 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.190 3.699 -9.624 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.578 3.404 -10.244 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.665 5.845 -9.198 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.584 7.068 -10.471 1.00 0.00 H new ATOM 600 N ASP A 43 -5.759 -0.243 -9.893 1.00 0.00 N ATOM 601 CA ASP A 43 -4.991 -0.952 -8.885 1.00 0.00 C ATOM 602 C ASP A 43 -3.794 -1.635 -9.548 1.00 0.00 C ATOM 603 O ASP A 43 -3.930 -2.241 -10.610 1.00 0.00 O ATOM 604 CB ASP A 43 -5.836 -2.032 -8.207 1.00 0.00 C ATOM 605 CG ASP A 43 -7.206 -2.276 -8.844 1.00 0.00 C ATOM 606 OD1 ASP A 43 -8.057 -1.368 -8.724 1.00 0.00 O ATOM 607 OD2 ASP A 43 -7.370 -3.365 -9.435 1.00 0.00 O ATOM 0 H ASP A 43 -5.955 -0.782 -10.736 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.665 -0.228 -8.139 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.277 -2.968 -8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.982 -1.756 -7.163 1.00 0.00 H new ATOM 612 N GLN A 44 -2.647 -1.515 -8.895 1.00 0.00 N ATOM 613 CA GLN A 44 -1.427 -2.113 -9.409 1.00 0.00 C ATOM 614 C GLN A 44 -0.693 -2.863 -8.295 1.00 0.00 C ATOM 615 O GLN A 44 -0.349 -2.276 -7.270 1.00 0.00 O ATOM 616 CB GLN A 44 -0.523 -1.055 -10.045 1.00 0.00 C ATOM 617 CG GLN A 44 -1.158 -0.482 -11.314 1.00 0.00 C ATOM 618 CD GLN A 44 -0.275 0.607 -11.926 1.00 0.00 C ATOM 619 OE1 GLN A 44 0.823 0.359 -12.398 1.00 0.00 O ATOM 620 NE2 GLN A 44 -0.812 1.823 -11.891 1.00 0.00 N ATOM 0 H GLN A 44 -2.537 -1.012 -8.014 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.696 -2.828 -10.186 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.339 -0.252 -9.331 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.445 -1.495 -10.285 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.312 -1.280 -12.040 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.140 -0.070 -11.080 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.736 1.961 -11.481 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.300 2.618 -12.274 1.00 0.00 H new ATOM 629 N LYS A 45 -0.477 -4.148 -8.533 1.00 0.00 N ATOM 630 CA LYS A 45 0.210 -4.984 -7.563 1.00 0.00 C ATOM 631 C LYS A 45 1.583 -5.375 -8.113 1.00 0.00 C ATOM 632 O LYS A 45 1.845 -5.219 -9.305 1.00 0.00 O ATOM 633 CB LYS A 45 -0.661 -6.180 -7.175 1.00 0.00 C ATOM 634 CG LYS A 45 -0.832 -7.139 -8.356 1.00 0.00 C ATOM 635 CD LYS A 45 -2.172 -7.873 -8.277 1.00 0.00 C ATOM 636 CE LYS A 45 -2.248 -8.989 -9.321 1.00 0.00 C ATOM 637 NZ LYS A 45 -3.247 -8.657 -10.362 1.00 0.00 N ATOM 0 H LYS A 45 -0.766 -4.631 -9.384 1.00 0.00 H new ATOM 0 HA LYS A 45 0.383 -4.432 -6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.208 -6.708 -6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.638 -5.830 -6.841 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.772 -6.583 -9.292 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.017 -7.863 -8.362 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.302 -8.293 -7.280 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.987 -7.167 -8.434 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.270 -9.133 -9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.515 -9.929 -8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.286 -9.424 -11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.182 -8.542 -9.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.975 -7.771 -10.834 1.00 0.00 H new ATOM 651 N SER A 46 2.422 -5.875 -7.219 1.00 0.00 N ATOM 652 CA SER A 46 3.762 -6.290 -7.600 1.00 0.00 C ATOM 653 C SER A 46 3.876 -7.814 -7.534 1.00 0.00 C ATOM 654 O SER A 46 3.013 -8.481 -6.967 1.00 0.00 O ATOM 655 CB SER A 46 4.816 -5.639 -6.703 1.00 0.00 C ATOM 656 OG SER A 46 5.857 -5.026 -7.459 1.00 0.00 O ATOM 0 H SER A 46 2.201 -6.002 -6.232 1.00 0.00 H new ATOM 0 HA SER A 46 3.944 -5.963 -8.624 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.340 -4.891 -6.069 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.244 -6.392 -6.041 1.00 0.00 H new ATOM 0 HG SER A 46 6.511 -5.705 -7.726 1.00 0.00 H new ATOM 662 N ASN A 47 4.950 -8.321 -8.122 1.00 0.00 N ATOM 663 CA ASN A 47 5.189 -9.754 -8.137 1.00 0.00 C ATOM 664 C ASN A 47 5.039 -10.306 -6.718 1.00 0.00 C ATOM 665 O ASN A 47 4.793 -9.553 -5.777 1.00 0.00 O ATOM 666 CB ASN A 47 6.605 -10.071 -8.621 1.00 0.00 C ATOM 667 CG ASN A 47 6.634 -10.273 -10.137 1.00 0.00 C ATOM 668 OD1 ASN A 47 5.720 -9.905 -10.856 1.00 0.00 O ATOM 669 ND2 ASN A 47 7.733 -10.877 -10.582 1.00 0.00 N ATOM 0 H ASN A 47 5.664 -7.765 -8.592 1.00 0.00 H new ATOM 0 HA ASN A 47 4.466 -10.210 -8.814 1.00 0.00 H new ATOM 0 HB2 ASN A 47 7.278 -9.259 -8.346 1.00 0.00 H new ATOM 0 HB3 ASN A 47 6.970 -10.970 -8.124 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.848 -11.057 -11.579 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.461 -11.160 -9.926 1.00 0.00 H new ATOM 676 N VAL A 48 5.195 -11.618 -6.608 1.00 0.00 N ATOM 677 CA VAL A 48 5.080 -12.280 -5.320 1.00 0.00 C ATOM 678 C VAL A 48 6.449 -12.295 -4.636 1.00 0.00 C ATOM 679 O VAL A 48 7.480 -12.348 -5.304 1.00 0.00 O ATOM 680 CB VAL A 48 4.487 -13.678 -5.501 1.00 0.00 C ATOM 681 CG1 VAL A 48 3.218 -13.629 -6.356 1.00 0.00 C ATOM 682 CG2 VAL A 48 5.516 -14.637 -6.103 1.00 0.00 C ATOM 0 H VAL A 48 5.400 -12.240 -7.390 1.00 0.00 H new ATOM 0 HA VAL A 48 4.397 -11.734 -4.669 1.00 0.00 H new ATOM 0 HB VAL A 48 4.213 -14.055 -4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.816 -14.636 -6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.476 -12.995 -5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.457 -13.221 -7.338 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.068 -15.624 -6.221 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.835 -14.264 -7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.379 -14.707 -5.441 1.00 0.00 H new ATOM 692 N ALA A 49 6.413 -12.248 -3.312 1.00 0.00 N ATOM 693 CA ALA A 49 7.638 -12.256 -2.530 1.00 0.00 C ATOM 694 C ALA A 49 8.190 -13.682 -2.469 1.00 0.00 C ATOM 695 O ALA A 49 7.958 -14.400 -1.498 1.00 0.00 O ATOM 696 CB ALA A 49 7.360 -11.679 -1.141 1.00 0.00 C ATOM 0 H ALA A 49 5.555 -12.204 -2.761 1.00 0.00 H new ATOM 0 HA ALA A 49 8.396 -11.629 -2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.278 -11.685 -0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.998 -10.656 -1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.605 -12.285 -0.640 1.00 0.00 H new ATOM 702 N GLU A 50 8.909 -14.049 -3.520 1.00 0.00 N ATOM 703 CA GLU A 50 9.496 -15.376 -3.598 1.00 0.00 C ATOM 704 C GLU A 50 10.536 -15.563 -2.492 1.00 0.00 C ATOM 705 O GLU A 50 11.429 -14.732 -2.328 1.00 0.00 O ATOM 706 CB GLU A 50 10.111 -15.623 -4.977 1.00 0.00 C ATOM 707 CG GLU A 50 9.041 -15.585 -6.070 1.00 0.00 C ATOM 708 CD GLU A 50 9.663 -15.286 -7.435 1.00 0.00 C ATOM 709 OE1 GLU A 50 10.126 -14.138 -7.609 1.00 0.00 O ATOM 710 OE2 GLU A 50 9.661 -16.213 -8.274 1.00 0.00 O ATOM 0 H GLU A 50 9.098 -13.451 -4.324 1.00 0.00 H new ATOM 0 HA GLU A 50 8.704 -16.111 -3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.871 -14.868 -5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.612 -16.591 -4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.518 -16.541 -6.106 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.298 -14.824 -5.830 1.00 0.00 H new ATOM 717 N GLY A 51 10.387 -16.658 -1.761 1.00 0.00 N ATOM 718 CA GLY A 51 11.303 -16.964 -0.676 1.00 0.00 C ATOM 719 C GLY A 51 11.766 -15.687 0.027 1.00 0.00 C ATOM 720 O GLY A 51 12.909 -15.262 -0.137 1.00 0.00 O ATOM 0 H GLY A 51 9.645 -17.344 -1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.814 -17.622 0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.167 -17.503 -1.066 1.00 0.00 H new ATOM 724 N MET A 52 10.855 -15.109 0.797 1.00 0.00 N ATOM 725 CA MET A 52 11.156 -13.888 1.525 1.00 0.00 C ATOM 726 C MET A 52 11.095 -14.123 3.036 1.00 0.00 C ATOM 727 O MET A 52 11.839 -13.503 3.795 1.00 0.00 O ATOM 728 CB MET A 52 10.152 -12.801 1.136 1.00 0.00 C ATOM 729 CG MET A 52 10.510 -12.183 -0.217 1.00 0.00 C ATOM 730 SD MET A 52 12.087 -11.353 -0.111 1.00 0.00 S ATOM 731 CE MET A 52 12.255 -10.789 -1.796 1.00 0.00 C ATOM 0 H MET A 52 9.908 -15.464 0.932 1.00 0.00 H new ATOM 0 HA MET A 52 12.166 -13.571 1.265 1.00 0.00 H new ATOM 0 HB2 MET A 52 9.149 -13.226 1.092 1.00 0.00 H new ATOM 0 HB3 MET A 52 10.136 -12.025 1.901 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.549 -12.959 -0.982 1.00 0.00 H new ATOM 0 HG3 MET A 52 9.737 -11.476 -0.519 1.00 0.00 H new ATOM 0 HE1 MET A 52 13.194 -10.246 -1.906 1.00 0.00 H new ATOM 0 HE2 MET A 52 12.250 -11.647 -2.469 1.00 0.00 H new ATOM 0 HE3 MET A 52 11.423 -10.129 -2.043 1.00 0.00 H new ATOM 741 N GLY A 53 10.201 -15.019 3.428 1.00 0.00 N ATOM 742 CA GLY A 53 10.033 -15.343 4.835 1.00 0.00 C ATOM 743 C GLY A 53 8.885 -14.539 5.449 1.00 0.00 C ATOM 744 O GLY A 53 7.770 -14.545 4.929 1.00 0.00 O ATOM 0 H GLY A 53 9.585 -15.531 2.796 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.835 -16.409 4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.957 -15.133 5.373 1.00 0.00 H new ATOM 748 N THR A 54 9.197 -13.867 6.547 1.00 0.00 N ATOM 749 CA THR A 54 8.205 -13.061 7.238 1.00 0.00 C ATOM 750 C THR A 54 8.456 -11.573 6.984 1.00 0.00 C ATOM 751 O THR A 54 7.875 -10.719 7.650 1.00 0.00 O ATOM 752 CB THR A 54 8.238 -13.437 8.721 1.00 0.00 C ATOM 753 OG1 THR A 54 9.618 -13.678 8.987 1.00 0.00 O ATOM 754 CG2 THR A 54 7.565 -14.783 8.998 1.00 0.00 C ATOM 0 H THR A 54 10.123 -13.864 6.975 1.00 0.00 H new ATOM 0 HA THR A 54 7.202 -13.260 6.860 1.00 0.00 H new ATOM 0 HB THR A 54 7.747 -12.658 9.304 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.147 -12.906 8.695 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.616 -15.003 10.064 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.522 -14.739 8.686 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.078 -15.567 8.441 1.00 0.00 H new ATOM 762 N THR A 55 9.324 -11.309 6.017 1.00 0.00 N ATOM 763 CA THR A 55 9.659 -9.940 5.666 1.00 0.00 C ATOM 764 C THR A 55 9.821 -9.801 4.151 1.00 0.00 C ATOM 765 O THR A 55 10.939 -9.710 3.648 1.00 0.00 O ATOM 766 CB THR A 55 10.913 -9.544 6.450 1.00 0.00 C ATOM 767 OG1 THR A 55 11.682 -10.743 6.501 1.00 0.00 O ATOM 768 CG2 THR A 55 10.612 -9.231 7.917 1.00 0.00 C ATOM 0 H THR A 55 9.805 -12.020 5.466 1.00 0.00 H new ATOM 0 HA THR A 55 8.857 -9.255 5.939 1.00 0.00 H new ATOM 0 HB THR A 55 11.375 -8.675 5.982 1.00 0.00 H new ATOM 0 HG1 THR A 55 12.515 -10.577 6.991 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.535 -8.956 8.427 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.905 -8.403 7.975 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.181 -10.110 8.396 1.00 0.00 H new ATOM 776 N PRO A 56 8.656 -9.790 3.448 1.00 0.00 N ATOM 777 CA PRO A 56 8.658 -9.664 2.001 1.00 0.00 C ATOM 778 C PRO A 56 8.970 -8.228 1.575 1.00 0.00 C ATOM 779 O PRO A 56 8.282 -7.293 1.982 1.00 0.00 O ATOM 780 CB PRO A 56 7.277 -10.127 1.564 1.00 0.00 C ATOM 781 CG PRO A 56 6.401 -10.051 2.804 1.00 0.00 C ATOM 782 CD PRO A 56 7.313 -9.895 4.010 1.00 0.00 C ATOM 0 HA PRO A 56 9.434 -10.266 1.528 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.885 -9.492 0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.312 -11.143 1.172 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.713 -9.209 2.734 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.794 -10.951 2.898 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.056 -9.008 4.589 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.231 -10.749 4.682 1.00 0.00 H new ATOM 790 N GLU A 57 10.008 -8.098 0.762 1.00 0.00 N ATOM 791 CA GLU A 57 10.419 -6.791 0.277 1.00 0.00 C ATOM 792 C GLU A 57 10.317 -6.736 -1.249 1.00 0.00 C ATOM 793 O GLU A 57 10.817 -7.621 -1.941 1.00 0.00 O ATOM 794 CB GLU A 57 11.836 -6.454 0.744 1.00 0.00 C ATOM 795 CG GLU A 57 12.245 -5.052 0.289 1.00 0.00 C ATOM 796 CD GLU A 57 13.218 -4.415 1.282 1.00 0.00 C ATOM 797 OE1 GLU A 57 12.720 -3.784 2.240 1.00 0.00 O ATOM 798 OE2 GLU A 57 14.438 -4.572 1.061 1.00 0.00 O ATOM 0 H GLU A 57 10.577 -8.876 0.427 1.00 0.00 H new ATOM 0 HA GLU A 57 9.747 -6.042 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.889 -6.517 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.538 -7.188 0.347 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.709 -5.106 -0.696 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.359 -4.425 0.190 1.00 0.00 H new ATOM 805 N TRP A 58 9.666 -5.686 -1.729 1.00 0.00 N ATOM 806 CA TRP A 58 9.492 -5.503 -3.159 1.00 0.00 C ATOM 807 C TRP A 58 10.376 -4.334 -3.598 1.00 0.00 C ATOM 808 O TRP A 58 11.138 -4.452 -4.556 1.00 0.00 O ATOM 809 CB TRP A 58 8.017 -5.301 -3.511 1.00 0.00 C ATOM 810 CG TRP A 58 7.107 -6.445 -3.058 1.00 0.00 C ATOM 811 CD1 TRP A 58 6.613 -7.449 -3.796 1.00 0.00 C ATOM 812 CD2 TRP A 58 6.600 -6.664 -1.725 1.00 0.00 C ATOM 813 NE1 TRP A 58 5.828 -8.294 -3.040 1.00 0.00 N ATOM 814 CE2 TRP A 58 5.819 -7.802 -1.740 1.00 0.00 C ATOM 815 CE3 TRP A 58 6.794 -5.924 -0.545 1.00 0.00 C ATOM 816 CZ2 TRP A 58 5.171 -8.302 -0.604 1.00 0.00 C ATOM 817 CZ3 TRP A 58 6.139 -6.437 0.581 1.00 0.00 C ATOM 818 CH2 TRP A 58 5.350 -7.581 0.582 1.00 0.00 C ATOM 0 H TRP A 58 9.253 -4.953 -1.152 1.00 0.00 H new ATOM 0 HA TRP A 58 9.801 -6.396 -3.702 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.670 -4.373 -3.058 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.925 -5.182 -4.591 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.806 -7.580 -4.851 1.00 0.00 H new ATOM 0 HE1 TRP A 58 5.343 -9.127 -3.374 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.400 -5.031 -0.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.566 -9.196 -0.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 6.255 -5.906 1.514 1.00 0.00 H new ATOM 0 HH2 TRP A 58 4.877 -7.912 1.495 1.00 0.00 H new ATOM 829 N ASN A 59 10.245 -3.231 -2.875 1.00 0.00 N ATOM 830 CA ASN A 59 11.022 -2.041 -3.177 1.00 0.00 C ATOM 831 C ASN A 59 10.668 -1.548 -4.581 1.00 0.00 C ATOM 832 O ASN A 59 11.545 -1.136 -5.338 1.00 0.00 O ATOM 833 CB ASN A 59 12.522 -2.341 -3.146 1.00 0.00 C ATOM 834 CG ASN A 59 13.095 -2.126 -1.743 1.00 0.00 C ATOM 835 OD1 ASN A 59 12.901 -1.099 -1.116 1.00 0.00 O ATOM 836 ND2 ASN A 59 13.811 -3.151 -1.289 1.00 0.00 N ATOM 0 H ASN A 59 9.612 -3.137 -2.081 1.00 0.00 H new ATOM 0 HA ASN A 59 10.789 -1.286 -2.426 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.697 -3.370 -3.461 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.040 -1.697 -3.857 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.237 -3.105 -0.363 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.934 -3.983 -1.867 1.00 0.00 H new ATOM 843 N GLU A 60 9.380 -1.607 -4.886 1.00 0.00 N ATOM 844 CA GLU A 60 8.898 -1.172 -6.186 1.00 0.00 C ATOM 845 C GLU A 60 8.353 0.255 -6.100 1.00 0.00 C ATOM 846 O GLU A 60 8.470 0.906 -5.063 1.00 0.00 O ATOM 847 CB GLU A 60 7.837 -2.132 -6.728 1.00 0.00 C ATOM 848 CG GLU A 60 8.478 -3.241 -7.565 1.00 0.00 C ATOM 849 CD GLU A 60 8.626 -2.809 -9.025 1.00 0.00 C ATOM 850 OE1 GLU A 60 8.936 -1.616 -9.236 1.00 0.00 O ATOM 851 OE2 GLU A 60 8.427 -3.681 -9.898 1.00 0.00 O ATOM 0 H GLU A 60 8.655 -1.949 -4.255 1.00 0.00 H new ATOM 0 HA GLU A 60 9.736 -1.179 -6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.282 -2.572 -5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.119 -1.581 -7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.456 -3.492 -7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.868 -4.143 -7.509 1.00 0.00 H new ATOM 858 N THR A 61 7.770 0.700 -7.203 1.00 0.00 N ATOM 859 CA THR A 61 7.207 2.038 -7.265 1.00 0.00 C ATOM 860 C THR A 61 5.989 2.061 -8.191 1.00 0.00 C ATOM 861 O THR A 61 6.070 1.630 -9.340 1.00 0.00 O ATOM 862 CB THR A 61 8.317 2.998 -7.697 1.00 0.00 C ATOM 863 OG1 THR A 61 9.017 3.284 -6.489 1.00 0.00 O ATOM 864 CG2 THR A 61 7.774 4.357 -8.144 1.00 0.00 C ATOM 0 H THR A 61 7.675 0.157 -8.061 1.00 0.00 H new ATOM 0 HA THR A 61 6.841 2.359 -6.290 1.00 0.00 H new ATOM 0 HB THR A 61 8.889 2.550 -8.510 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.804 2.602 -5.818 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.603 5.000 -8.440 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.101 4.219 -8.990 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.231 4.821 -7.320 1.00 0.00 H new ATOM 872 N PHE A 62 4.888 2.569 -7.656 1.00 0.00 N ATOM 873 CA PHE A 62 3.655 2.655 -8.419 1.00 0.00 C ATOM 874 C PHE A 62 3.117 4.087 -8.433 1.00 0.00 C ATOM 875 O PHE A 62 3.069 4.745 -7.395 1.00 0.00 O ATOM 876 CB PHE A 62 2.637 1.746 -7.728 1.00 0.00 C ATOM 877 CG PHE A 62 3.060 0.277 -7.659 1.00 0.00 C ATOM 878 CD1 PHE A 62 2.733 -0.573 -8.670 1.00 0.00 C ATOM 879 CD2 PHE A 62 3.762 -0.179 -6.588 1.00 0.00 C ATOM 880 CE1 PHE A 62 3.126 -1.936 -8.606 1.00 0.00 C ATOM 881 CE2 PHE A 62 4.154 -1.542 -6.524 1.00 0.00 C ATOM 882 CZ PHE A 62 3.828 -2.392 -7.534 1.00 0.00 C ATOM 0 H PHE A 62 4.825 2.925 -6.702 1.00 0.00 H new ATOM 0 HA PHE A 62 3.834 2.354 -9.451 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.467 2.112 -6.716 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.686 1.815 -8.256 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.175 -0.211 -9.521 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.022 0.496 -5.786 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.867 -2.611 -9.409 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.711 -1.904 -5.673 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.126 -3.429 -7.485 1.00 0.00 H new ATOM 892 N ILE A 63 2.725 4.527 -9.619 1.00 0.00 N ATOM 893 CA ILE A 63 2.192 5.868 -9.782 1.00 0.00 C ATOM 894 C ILE A 63 0.680 5.789 -10.002 1.00 0.00 C ATOM 895 O ILE A 63 0.168 4.764 -10.451 1.00 0.00 O ATOM 896 CB ILE A 63 2.937 6.610 -10.893 1.00 0.00 C ATOM 897 CG1 ILE A 63 4.429 6.273 -10.873 1.00 0.00 C ATOM 898 CG2 ILE A 63 2.688 8.118 -10.808 1.00 0.00 C ATOM 899 CD1 ILE A 63 5.113 6.885 -9.648 1.00 0.00 C ATOM 0 H ILE A 63 2.766 3.978 -10.477 1.00 0.00 H new ATOM 0 HA ILE A 63 2.352 6.453 -8.877 1.00 0.00 H new ATOM 0 HB ILE A 63 2.544 6.272 -11.852 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.561 5.191 -10.865 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.902 6.645 -11.782 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.229 8.622 -11.609 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.621 8.317 -10.910 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.036 8.491 -9.845 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.173 6.630 -9.658 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.000 7.969 -9.672 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.654 6.492 -8.741 1.00 0.00 H new ATOM 911 N PHE A 64 0.008 6.883 -9.675 1.00 0.00 N ATOM 912 CA PHE A 64 -1.435 6.950 -9.832 1.00 0.00 C ATOM 913 C PHE A 64 -1.884 8.371 -10.174 1.00 0.00 C ATOM 914 O PHE A 64 -1.058 9.273 -10.304 1.00 0.00 O ATOM 915 CB PHE A 64 -2.049 6.542 -8.491 1.00 0.00 C ATOM 916 CG PHE A 64 -2.076 5.031 -8.252 1.00 0.00 C ATOM 917 CD1 PHE A 64 -2.654 4.208 -9.168 1.00 0.00 C ATOM 918 CD2 PHE A 64 -1.522 4.511 -7.124 1.00 0.00 C ATOM 919 CE1 PHE A 64 -2.679 2.806 -8.946 1.00 0.00 C ATOM 920 CE2 PHE A 64 -1.547 3.109 -6.903 1.00 0.00 C ATOM 921 CZ PHE A 64 -2.125 2.286 -7.818 1.00 0.00 C ATOM 0 H PHE A 64 0.436 7.730 -9.302 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.753 6.293 -10.642 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.487 7.017 -7.687 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.068 6.926 -8.438 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.094 4.621 -10.064 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.063 5.164 -6.397 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.138 2.152 -9.673 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.107 2.696 -6.008 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.144 1.219 -7.649 1.00 0.00 H new ATOM 931 N THR A 65 -3.193 8.527 -10.311 1.00 0.00 N ATOM 932 CA THR A 65 -3.762 9.824 -10.636 1.00 0.00 C ATOM 933 C THR A 65 -4.773 10.246 -9.568 1.00 0.00 C ATOM 934 O THR A 65 -5.916 9.792 -9.577 1.00 0.00 O ATOM 935 CB THR A 65 -4.362 9.739 -12.041 1.00 0.00 C ATOM 936 OG1 THR A 65 -3.246 9.920 -12.907 1.00 0.00 O ATOM 937 CG2 THR A 65 -5.278 10.922 -12.360 1.00 0.00 C ATOM 0 H THR A 65 -3.876 7.777 -10.203 1.00 0.00 H new ATOM 0 HA THR A 65 -2.998 10.601 -10.640 1.00 0.00 H new ATOM 0 HB THR A 65 -4.923 8.810 -12.140 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.545 9.877 -13.839 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.677 10.812 -13.368 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.101 10.948 -11.645 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.710 11.850 -12.294 1.00 0.00 H new ATOM 945 N VAL A 66 -4.315 11.109 -8.674 1.00 0.00 N ATOM 946 CA VAL A 66 -5.165 11.597 -7.601 1.00 0.00 C ATOM 947 C VAL A 66 -6.030 12.746 -8.124 1.00 0.00 C ATOM 948 O VAL A 66 -5.642 13.443 -9.060 1.00 0.00 O ATOM 949 CB VAL A 66 -4.311 11.993 -6.395 1.00 0.00 C ATOM 950 CG1 VAL A 66 -5.184 12.241 -5.163 1.00 0.00 C ATOM 951 CG2 VAL A 66 -3.245 10.934 -6.107 1.00 0.00 C ATOM 0 H VAL A 66 -3.366 11.483 -8.670 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.839 10.811 -7.261 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.801 12.925 -6.637 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.552 12.521 -4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.888 13.046 -5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.734 11.333 -4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.652 11.240 -5.245 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.728 9.980 -5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.595 10.827 -6.975 1.00 0.00 H new ATOM 961 N SER A 67 -7.185 12.908 -7.496 1.00 0.00 N ATOM 962 CA SER A 67 -8.108 13.960 -7.886 1.00 0.00 C ATOM 963 C SER A 67 -8.841 14.497 -6.655 1.00 0.00 C ATOM 964 O SER A 67 -8.406 15.473 -6.046 1.00 0.00 O ATOM 965 CB SER A 67 -9.113 13.455 -8.924 1.00 0.00 C ATOM 966 OG SER A 67 -9.853 12.334 -8.449 1.00 0.00 O ATOM 0 H SER A 67 -7.503 12.328 -6.719 1.00 0.00 H new ATOM 0 HA SER A 67 -7.533 14.768 -8.339 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.801 14.260 -9.184 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.584 13.180 -9.837 1.00 0.00 H new ATOM 0 HG SER A 67 -10.485 12.043 -9.139 1.00 0.00 H new ATOM 972 N GLU A 68 -9.940 13.835 -6.325 1.00 0.00 N ATOM 973 CA GLU A 68 -10.738 14.233 -5.178 1.00 0.00 C ATOM 974 C GLU A 68 -11.284 12.999 -4.457 1.00 0.00 C ATOM 975 O GLU A 68 -11.449 11.943 -5.065 1.00 0.00 O ATOM 976 CB GLU A 68 -11.872 15.171 -5.597 1.00 0.00 C ATOM 977 CG GLU A 68 -13.030 14.387 -6.216 1.00 0.00 C ATOM 978 CD GLU A 68 -14.219 15.305 -6.509 1.00 0.00 C ATOM 979 OE1 GLU A 68 -14.928 15.643 -5.536 1.00 0.00 O ATOM 980 OE2 GLU A 68 -14.392 15.648 -7.698 1.00 0.00 O ATOM 0 H GLU A 68 -10.297 13.025 -6.832 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.097 14.779 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.227 15.728 -4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.498 15.902 -6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.699 13.909 -7.138 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.339 13.591 -5.538 1.00 0.00 H new ATOM 987 N GLY A 69 -11.551 13.174 -3.171 1.00 0.00 N ATOM 988 CA GLY A 69 -12.075 12.087 -2.361 1.00 0.00 C ATOM 989 C GLY A 69 -10.979 11.074 -2.027 1.00 0.00 C ATOM 990 O GLY A 69 -10.739 10.776 -0.858 1.00 0.00 O ATOM 0 H GLY A 69 -11.414 14.052 -2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.498 12.487 -1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.885 11.589 -2.894 1.00 0.00 H new ATOM 994 N THR A 70 -10.343 10.571 -3.075 1.00 0.00 N ATOM 995 CA THR A 70 -9.278 9.597 -2.908 1.00 0.00 C ATOM 996 C THR A 70 -8.077 10.235 -2.209 1.00 0.00 C ATOM 997 O THR A 70 -7.236 10.859 -2.856 1.00 0.00 O ATOM 998 CB THR A 70 -8.944 9.020 -4.285 1.00 0.00 C ATOM 999 OG1 THR A 70 -10.148 8.376 -4.693 1.00 0.00 O ATOM 1000 CG2 THR A 70 -7.920 7.886 -4.212 1.00 0.00 C ATOM 0 H THR A 70 -10.545 10.820 -4.043 1.00 0.00 H new ATOM 0 HA THR A 70 -9.591 8.776 -2.263 1.00 0.00 H new ATOM 0 HB THR A 70 -8.561 9.813 -4.928 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.635 8.957 -5.314 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.719 7.512 -5.216 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.995 8.259 -3.771 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.315 7.078 -3.597 1.00 0.00 H new ATOM 1008 N THR A 71 -8.033 10.058 -0.896 1.00 0.00 N ATOM 1009 CA THR A 71 -6.948 10.609 -0.102 1.00 0.00 C ATOM 1010 C THR A 71 -6.255 9.502 0.694 1.00 0.00 C ATOM 1011 O THR A 71 -5.693 9.757 1.758 1.00 0.00 O ATOM 1012 CB THR A 71 -7.524 11.721 0.777 1.00 0.00 C ATOM 1013 OG1 THR A 71 -8.615 11.100 1.451 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.176 12.836 -0.041 1.00 0.00 C ATOM 0 H THR A 71 -8.732 9.541 -0.362 1.00 0.00 H new ATOM 0 HA THR A 71 -6.174 11.043 -0.735 1.00 0.00 H new ATOM 0 HB THR A 71 -6.731 12.142 1.396 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.046 11.750 2.044 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.568 13.599 0.631 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.434 13.283 -0.703 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.991 12.422 -0.635 1.00 0.00 H new ATOM 1022 N GLU A 72 -6.316 8.296 0.148 1.00 0.00 N ATOM 1023 CA GLU A 72 -5.701 7.150 0.794 1.00 0.00 C ATOM 1024 C GLU A 72 -5.581 5.986 -0.193 1.00 0.00 C ATOM 1025 O GLU A 72 -6.331 5.912 -1.165 1.00 0.00 O ATOM 1026 CB GLU A 72 -6.488 6.734 2.038 1.00 0.00 C ATOM 1027 CG GLU A 72 -7.678 5.848 1.664 1.00 0.00 C ATOM 1028 CD GLU A 72 -8.959 6.336 2.343 1.00 0.00 C ATOM 1029 OE1 GLU A 72 -9.150 7.571 2.374 1.00 0.00 O ATOM 1030 OE2 GLU A 72 -9.719 5.463 2.815 1.00 0.00 O ATOM 0 H GLU A 72 -6.782 8.088 -0.735 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.699 7.433 1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.833 6.198 2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.842 7.622 2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.812 5.850 0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.476 4.818 1.958 1.00 0.00 H new ATOM 1037 N LEU A 73 -4.631 5.107 0.092 1.00 0.00 N ATOM 1038 CA LEU A 73 -4.403 3.951 -0.758 1.00 0.00 C ATOM 1039 C LEU A 73 -4.665 2.674 0.043 1.00 0.00 C ATOM 1040 O LEU A 73 -4.390 2.622 1.241 1.00 0.00 O ATOM 1041 CB LEU A 73 -3.006 4.011 -1.380 1.00 0.00 C ATOM 1042 CG LEU A 73 -2.582 2.787 -2.195 1.00 0.00 C ATOM 1043 CD1 LEU A 73 -3.031 2.916 -3.652 1.00 0.00 C ATOM 1044 CD2 LEU A 73 -1.075 2.546 -2.079 1.00 0.00 C ATOM 0 H LEU A 73 -4.011 5.172 0.899 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.100 3.951 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.954 4.888 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.280 4.160 -0.581 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.081 1.911 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.717 2.033 -4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.117 3.003 -3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.579 3.804 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.800 1.671 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.537 3.418 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.813 2.378 -1.034 1.00 0.00 H new ATOM 1056 N LYS A 74 -5.194 1.677 -0.650 1.00 0.00 N ATOM 1057 CA LYS A 74 -5.496 0.404 -0.018 1.00 0.00 C ATOM 1058 C LYS A 74 -4.474 -0.641 -0.470 1.00 0.00 C ATOM 1059 O LYS A 74 -4.319 -0.886 -1.665 1.00 0.00 O ATOM 1060 CB LYS A 74 -6.947 0.002 -0.290 1.00 0.00 C ATOM 1061 CG LYS A 74 -7.861 0.438 0.858 1.00 0.00 C ATOM 1062 CD LYS A 74 -7.774 1.949 1.084 1.00 0.00 C ATOM 1063 CE LYS A 74 -9.164 2.587 1.059 1.00 0.00 C ATOM 1064 NZ LYS A 74 -9.931 2.208 2.268 1.00 0.00 N ATOM 0 H LYS A 74 -5.421 1.725 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.409 0.487 1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.285 0.456 -1.222 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.011 -1.078 -0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.891 0.159 0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.580 -0.087 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.295 2.150 2.042 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.149 2.400 0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.072 3.672 1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.701 2.268 0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.872 2.650 2.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.035 1.174 2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.425 2.534 3.116 1.00 0.00 H new ATOM 1078 N ALA A 75 -3.803 -1.228 0.510 1.00 0.00 N ATOM 1079 CA ALA A 75 -2.800 -2.241 0.227 1.00 0.00 C ATOM 1080 C ALA A 75 -3.227 -3.566 0.862 1.00 0.00 C ATOM 1081 O ALA A 75 -3.130 -3.737 2.076 1.00 0.00 O ATOM 1082 CB ALA A 75 -1.437 -1.765 0.733 1.00 0.00 C ATOM 0 H ALA A 75 -3.934 -1.022 1.500 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.711 -2.403 -0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.685 -2.525 0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.167 -0.836 0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.487 -1.595 1.808 1.00 0.00 H new ATOM 1088 N LYS A 76 -3.690 -4.471 0.012 1.00 0.00 N ATOM 1089 CA LYS A 76 -4.132 -5.775 0.474 1.00 0.00 C ATOM 1090 C LYS A 76 -3.105 -6.832 0.063 1.00 0.00 C ATOM 1091 O LYS A 76 -2.735 -6.922 -1.107 1.00 0.00 O ATOM 1092 CB LYS A 76 -5.549 -6.068 -0.024 1.00 0.00 C ATOM 1093 CG LYS A 76 -6.593 -5.388 0.863 1.00 0.00 C ATOM 1094 CD LYS A 76 -7.978 -6.002 0.649 1.00 0.00 C ATOM 1095 CE LYS A 76 -8.754 -6.079 1.966 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.528 -4.837 2.184 1.00 0.00 N ATOM 0 H LYS A 76 -3.768 -4.326 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.191 -5.794 1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.657 -5.719 -1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.720 -7.144 -0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.306 -5.486 1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.626 -4.322 0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.537 -5.405 -0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.875 -7.001 0.225 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.427 -6.936 1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.062 -6.234 2.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.049 -4.905 3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.879 -4.025 2.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.201 -4.706 1.402 1.00 0.00 H new ATOM 1110 N ILE A 77 -2.673 -7.606 1.048 1.00 0.00 N ATOM 1111 CA ILE A 77 -1.696 -8.653 0.804 1.00 0.00 C ATOM 1112 C ILE A 77 -2.420 -9.930 0.374 1.00 0.00 C ATOM 1113 O ILE A 77 -3.452 -10.283 0.941 1.00 0.00 O ATOM 1114 CB ILE A 77 -0.793 -8.839 2.025 1.00 0.00 C ATOM 1115 CG1 ILE A 77 -0.045 -7.546 2.356 1.00 0.00 C ATOM 1116 CG2 ILE A 77 0.161 -10.019 1.827 1.00 0.00 C ATOM 1117 CD1 ILE A 77 -0.882 -6.646 3.266 1.00 0.00 C ATOM 0 H ILE A 77 -2.982 -7.529 2.017 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.033 -8.372 -0.014 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.423 -9.075 2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.901 -7.783 2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.196 -7.015 1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.791 -10.129 2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.416 -10.932 1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.788 -9.838 0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.327 -5.734 3.486 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.816 -6.391 2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.100 -7.171 4.196 1.00 0.00 H new ATOM 1129 N PHE A 78 -1.850 -10.588 -0.625 1.00 0.00 N ATOM 1130 CA PHE A 78 -2.428 -11.819 -1.137 1.00 0.00 C ATOM 1131 C PHE A 78 -1.336 -12.810 -1.545 1.00 0.00 C ATOM 1132 O PHE A 78 -0.319 -12.418 -2.115 1.00 0.00 O ATOM 1133 CB PHE A 78 -3.250 -11.446 -2.373 1.00 0.00 C ATOM 1134 CG PHE A 78 -4.408 -10.489 -2.085 1.00 0.00 C ATOM 1135 CD1 PHE A 78 -5.568 -10.965 -1.559 1.00 0.00 C ATOM 1136 CD2 PHE A 78 -4.277 -9.163 -2.355 1.00 0.00 C ATOM 1137 CE1 PHE A 78 -6.644 -10.077 -1.292 1.00 0.00 C ATOM 1138 CE2 PHE A 78 -5.352 -8.274 -2.088 1.00 0.00 C ATOM 1139 CZ PHE A 78 -6.513 -8.750 -1.562 1.00 0.00 C ATOM 0 H PHE A 78 -0.994 -10.292 -1.094 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.040 -12.291 -0.368 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.590 -10.990 -3.111 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.648 -12.357 -2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.671 -12.018 -1.344 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.355 -8.786 -2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.566 -10.455 -0.875 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.248 -7.221 -2.302 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.331 -8.074 -1.359 1.00 0.00 H new ATOM 1149 N ASP A 79 -1.584 -14.074 -1.236 1.00 0.00 N ATOM 1150 CA ASP A 79 -0.635 -15.124 -1.564 1.00 0.00 C ATOM 1151 C ASP A 79 -0.527 -15.253 -3.084 1.00 0.00 C ATOM 1152 O ASP A 79 -1.341 -14.693 -3.817 1.00 0.00 O ATOM 1153 CB ASP A 79 -1.092 -16.474 -1.006 1.00 0.00 C ATOM 1154 CG ASP A 79 -0.041 -17.584 -1.058 1.00 0.00 C ATOM 1155 OD1 ASP A 79 1.155 -17.240 -0.939 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -0.457 -18.752 -1.216 1.00 0.00 O ATOM 0 H ASP A 79 -2.428 -14.395 -0.762 1.00 0.00 H new ATOM 0 HA ASP A 79 0.326 -14.858 -1.124 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.402 -16.336 0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.971 -16.801 -1.561 1.00 0.00 H new ATOM 1161 N LYS A 80 0.483 -15.995 -3.514 1.00 0.00 N ATOM 1162 CA LYS A 80 0.707 -16.205 -4.934 1.00 0.00 C ATOM 1163 C LYS A 80 -0.348 -17.171 -5.475 1.00 0.00 C ATOM 1164 O LYS A 80 -0.399 -17.431 -6.676 1.00 0.00 O ATOM 1165 CB LYS A 80 2.146 -16.660 -5.188 1.00 0.00 C ATOM 1166 CG LYS A 80 2.373 -18.079 -4.662 1.00 0.00 C ATOM 1167 CD LYS A 80 3.792 -18.558 -4.973 1.00 0.00 C ATOM 1168 CE LYS A 80 3.769 -19.749 -5.934 1.00 0.00 C ATOM 1169 NZ LYS A 80 4.297 -20.961 -5.270 1.00 0.00 N ATOM 0 H LYS A 80 1.156 -16.458 -2.903 1.00 0.00 H new ATOM 0 HA LYS A 80 0.592 -15.269 -5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.359 -16.626 -6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.839 -15.973 -4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.205 -18.103 -3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.649 -18.758 -5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.367 -17.743 -5.412 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.295 -18.841 -4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.749 -19.929 -6.275 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.365 -19.522 -6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.274 -21.759 -5.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.277 -20.791 -4.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.711 -21.185 -4.440 1.00 0.00 H new ATOM 1183 N ASP A 81 -1.165 -17.677 -4.562 1.00 0.00 N ATOM 1184 CA ASP A 81 -2.216 -18.609 -4.933 1.00 0.00 C ATOM 1185 C ASP A 81 -3.561 -18.080 -4.430 1.00 0.00 C ATOM 1186 O ASP A 81 -4.258 -18.761 -3.679 1.00 0.00 O ATOM 1187 CB ASP A 81 -1.982 -19.983 -4.302 1.00 0.00 C ATOM 1188 CG ASP A 81 -2.572 -21.161 -5.079 1.00 0.00 C ATOM 1189 OD1 ASP A 81 -2.378 -21.180 -6.314 1.00 0.00 O ATOM 1190 OD2 ASP A 81 -3.204 -22.016 -4.421 1.00 0.00 O ATOM 0 H ASP A 81 -1.120 -17.459 -3.567 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.213 -18.706 -6.019 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.908 -20.139 -4.195 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.405 -19.981 -3.298 1.00 0.00 H new ATOM 1195 N VAL A 82 -3.885 -16.871 -4.865 1.00 0.00 N ATOM 1196 CA VAL A 82 -5.134 -16.243 -4.468 1.00 0.00 C ATOM 1197 C VAL A 82 -5.460 -15.107 -5.440 1.00 0.00 C ATOM 1198 O VAL A 82 -4.607 -14.691 -6.222 1.00 0.00 O ATOM 1199 CB VAL A 82 -5.047 -15.779 -3.013 1.00 0.00 C ATOM 1200 CG1 VAL A 82 -3.867 -14.827 -2.810 1.00 0.00 C ATOM 1201 CG2 VAL A 82 -6.358 -15.130 -2.566 1.00 0.00 C ATOM 0 H VAL A 82 -3.304 -16.310 -5.488 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.954 -16.959 -4.518 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.878 -16.658 -2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.828 -14.512 -1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.939 -15.337 -3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.991 -13.952 -3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.270 -14.809 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.570 -14.266 -3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.170 -15.852 -2.655 1.00 0.00 H new ATOM 1211 N GLY A 83 -6.696 -14.637 -5.358 1.00 0.00 N ATOM 1212 CA GLY A 83 -7.145 -13.557 -6.220 1.00 0.00 C ATOM 1213 C GLY A 83 -7.571 -12.340 -5.397 1.00 0.00 C ATOM 1214 O GLY A 83 -8.239 -12.481 -4.374 1.00 0.00 O ATOM 0 H GLY A 83 -7.401 -14.985 -4.708 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.344 -13.276 -6.904 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.981 -13.898 -6.831 1.00 0.00 H new ATOM 1218 N THR A 84 -7.167 -11.172 -5.875 1.00 0.00 N ATOM 1219 CA THR A 84 -7.498 -9.931 -5.196 1.00 0.00 C ATOM 1220 C THR A 84 -8.875 -10.035 -4.536 1.00 0.00 C ATOM 1221 O THR A 84 -9.085 -9.508 -3.444 1.00 0.00 O ATOM 1222 CB THR A 84 -7.398 -8.794 -6.215 1.00 0.00 C ATOM 1223 OG1 THR A 84 -8.292 -9.179 -7.255 1.00 0.00 O ATOM 1224 CG2 THR A 84 -6.030 -8.740 -6.899 1.00 0.00 C ATOM 0 H THR A 84 -6.614 -11.059 -6.724 1.00 0.00 H new ATOM 0 HA THR A 84 -6.798 -9.724 -4.386 1.00 0.00 H new ATOM 0 HB THR A 84 -7.593 -7.844 -5.718 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.290 -8.496 -7.958 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.012 -7.916 -7.612 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.254 -8.588 -6.149 1.00 0.00 H new ATOM 0 HG23 THR A 84 -5.848 -9.678 -7.424 1.00 0.00 H new ATOM 1232 N GLU A 85 -9.776 -10.718 -5.226 1.00 0.00 N ATOM 1233 CA GLU A 85 -11.127 -10.898 -4.720 1.00 0.00 C ATOM 1234 C GLU A 85 -11.309 -12.321 -4.188 1.00 0.00 C ATOM 1235 O GLU A 85 -12.083 -13.101 -4.741 1.00 0.00 O ATOM 1236 CB GLU A 85 -12.163 -10.580 -5.799 1.00 0.00 C ATOM 1237 CG GLU A 85 -12.020 -9.137 -6.288 1.00 0.00 C ATOM 1238 CD GLU A 85 -13.179 -8.754 -7.210 1.00 0.00 C ATOM 1239 OE1 GLU A 85 -14.336 -8.923 -6.769 1.00 0.00 O ATOM 1240 OE2 GLU A 85 -12.882 -8.299 -8.336 1.00 0.00 O ATOM 0 H GLU A 85 -9.598 -11.154 -6.131 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.282 -10.200 -3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.042 -11.266 -6.638 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.166 -10.736 -5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.991 -8.461 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.075 -9.021 -6.818 1.00 0.00 H new ATOM 1247 N ASP A 86 -10.582 -12.617 -3.120 1.00 0.00 N ATOM 1248 CA ASP A 86 -10.654 -13.932 -2.507 1.00 0.00 C ATOM 1249 C ASP A 86 -10.429 -13.800 -0.999 1.00 0.00 C ATOM 1250 O ASP A 86 -11.349 -14.008 -0.210 1.00 0.00 O ATOM 1251 CB ASP A 86 -9.574 -14.860 -3.066 1.00 0.00 C ATOM 1252 CG ASP A 86 -9.581 -16.279 -2.494 1.00 0.00 C ATOM 1253 OD1 ASP A 86 -9.542 -16.390 -1.250 1.00 0.00 O ATOM 1254 OD2 ASP A 86 -9.625 -17.221 -3.315 1.00 0.00 O ATOM 0 H ASP A 86 -9.940 -11.968 -2.664 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.637 -14.351 -2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.692 -14.920 -4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.598 -14.413 -2.876 1.00 0.00 H new ATOM 1259 N ASP A 87 -9.200 -13.456 -0.644 1.00 0.00 N ATOM 1260 CA ASP A 87 -8.842 -13.294 0.755 1.00 0.00 C ATOM 1261 C ASP A 87 -7.412 -12.759 0.853 1.00 0.00 C ATOM 1262 O ASP A 87 -6.482 -13.363 0.320 1.00 0.00 O ATOM 1263 CB ASP A 87 -8.900 -14.631 1.497 1.00 0.00 C ATOM 1264 CG ASP A 87 -9.432 -14.553 2.929 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -8.721 -13.958 3.767 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -10.538 -15.091 3.153 1.00 0.00 O ATOM 0 H ASP A 87 -8.439 -13.285 -1.301 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.552 -12.601 1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.528 -15.318 0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.898 -15.060 1.520 1.00 0.00 H new ATOM 1271 N ALA A 88 -7.280 -11.633 1.538 1.00 0.00 N ATOM 1272 CA ALA A 88 -5.979 -11.011 1.713 1.00 0.00 C ATOM 1273 C ALA A 88 -5.465 -11.301 3.125 1.00 0.00 C ATOM 1274 O ALA A 88 -6.096 -10.918 4.109 1.00 0.00 O ATOM 1275 CB ALA A 88 -6.087 -9.512 1.428 1.00 0.00 C ATOM 0 H ALA A 88 -8.053 -11.135 1.979 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.258 -11.425 1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.111 -9.045 1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.427 -9.360 0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.800 -9.061 2.118 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.326 -11.974 3.179 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.720 -12.319 4.454 1.00 0.00 C ATOM 1283 C VAL A 89 -3.839 -11.129 5.409 1.00 0.00 C ATOM 1284 O VAL A 89 -3.904 -11.308 6.624 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.275 -12.773 4.241 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -2.211 -14.267 3.918 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -1.596 -11.946 3.147 1.00 0.00 C ATOM 0 H VAL A 89 -3.806 -12.290 2.360 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.245 -13.157 4.912 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.732 -12.608 5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.172 -14.563 3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.638 -14.836 4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.777 -14.467 3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.570 -12.289 3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.141 -12.064 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.593 -10.895 3.435 1.00 0.00 H new ATOM 1297 N GLY A 90 -3.863 -9.941 4.823 1.00 0.00 N ATOM 1298 CA GLY A 90 -3.973 -8.722 5.606 1.00 0.00 C ATOM 1299 C GLY A 90 -4.058 -7.493 4.699 1.00 0.00 C ATOM 1300 O GLY A 90 -3.947 -7.609 3.479 1.00 0.00 O ATOM 0 H GLY A 90 -3.808 -9.797 3.815 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.858 -8.772 6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.111 -8.631 6.267 1.00 0.00 H new ATOM 1304 N GLU A 91 -4.254 -6.345 5.329 1.00 0.00 N ATOM 1305 CA GLU A 91 -4.355 -5.095 4.594 1.00 0.00 C ATOM 1306 C GLU A 91 -3.822 -3.937 5.440 1.00 0.00 C ATOM 1307 O GLU A 91 -3.626 -4.083 6.646 1.00 0.00 O ATOM 1308 CB GLU A 91 -5.797 -4.834 4.154 1.00 0.00 C ATOM 1309 CG GLU A 91 -6.606 -4.190 5.281 1.00 0.00 C ATOM 1310 CD GLU A 91 -6.842 -2.703 5.007 1.00 0.00 C ATOM 1311 OE1 GLU A 91 -7.083 -2.375 3.826 1.00 0.00 O ATOM 1312 OE2 GLU A 91 -6.774 -1.928 5.986 1.00 0.00 O ATOM 0 H GLU A 91 -4.346 -6.253 6.341 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.743 -5.174 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.802 -4.183 3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.265 -5.772 3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.563 -4.701 5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.078 -4.310 6.227 1.00 0.00 H new ATOM 1319 N ALA A 92 -3.601 -2.813 4.774 1.00 0.00 N ATOM 1320 CA ALA A 92 -3.094 -1.631 5.450 1.00 0.00 C ATOM 1321 C ALA A 92 -3.626 -0.380 4.747 1.00 0.00 C ATOM 1322 O ALA A 92 -3.746 -0.355 3.523 1.00 0.00 O ATOM 1323 CB ALA A 92 -1.565 -1.676 5.480 1.00 0.00 C ATOM 0 H ALA A 92 -3.764 -2.696 3.774 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.440 -1.602 6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.185 -0.789 5.987 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.238 -2.568 6.014 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.182 -1.703 4.460 1.00 0.00 H new ATOM 1329 N THR A 93 -3.930 0.628 5.552 1.00 0.00 N ATOM 1330 CA THR A 93 -4.446 1.879 5.023 1.00 0.00 C ATOM 1331 C THR A 93 -3.321 2.906 4.889 1.00 0.00 C ATOM 1332 O THR A 93 -2.722 3.310 5.885 1.00 0.00 O ATOM 1333 CB THR A 93 -5.587 2.342 5.931 1.00 0.00 C ATOM 1334 OG1 THR A 93 -6.586 1.337 5.774 1.00 0.00 O ATOM 1335 CG2 THR A 93 -6.259 3.619 5.423 1.00 0.00 C ATOM 0 H THR A 93 -3.829 0.604 6.567 1.00 0.00 H new ATOM 0 HA THR A 93 -4.845 1.748 4.017 1.00 0.00 H new ATOM 0 HB THR A 93 -5.204 2.510 6.938 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.362 1.558 6.330 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.061 3.904 6.104 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.524 4.422 5.373 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.672 3.443 4.430 1.00 0.00 H new ATOM 1343 N ILE A 94 -3.066 3.300 3.650 1.00 0.00 N ATOM 1344 CA ILE A 94 -2.023 4.273 3.373 1.00 0.00 C ATOM 1345 C ILE A 94 -2.663 5.586 2.919 1.00 0.00 C ATOM 1346 O ILE A 94 -3.016 5.736 1.750 1.00 0.00 O ATOM 1347 CB ILE A 94 -1.011 3.704 2.376 1.00 0.00 C ATOM 1348 CG1 ILE A 94 -0.336 2.450 2.935 1.00 0.00 C ATOM 1349 CG2 ILE A 94 0.008 4.768 1.963 1.00 0.00 C ATOM 1350 CD1 ILE A 94 -0.440 1.285 1.948 1.00 0.00 C ATOM 0 H ILE A 94 -3.564 2.963 2.826 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.456 4.492 4.278 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.548 3.406 1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.713 2.660 3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.802 2.173 3.881 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.716 4.338 1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.510 5.606 1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.545 5.119 2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.048 0.406 2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.490 1.061 1.758 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.048 1.557 1.012 1.00 0.00 H new ATOM 1362 N PRO A 95 -2.797 6.527 3.892 1.00 0.00 N ATOM 1363 CA PRO A 95 -3.389 7.822 3.603 1.00 0.00 C ATOM 1364 C PRO A 95 -2.413 8.711 2.829 1.00 0.00 C ATOM 1365 O PRO A 95 -1.230 8.777 3.162 1.00 0.00 O ATOM 1366 CB PRO A 95 -3.765 8.394 4.960 1.00 0.00 C ATOM 1367 CG PRO A 95 -2.954 7.612 5.981 1.00 0.00 C ATOM 1368 CD PRO A 95 -2.390 6.383 5.286 1.00 0.00 C ATOM 0 HA PRO A 95 -4.266 7.750 2.959 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.536 9.458 5.012 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.834 8.288 5.146 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.148 8.228 6.381 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.581 7.320 6.824 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.305 6.338 5.379 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.785 5.465 5.721 1.00 0.00 H new ATOM 1376 N LEU A 96 -2.944 9.372 1.811 1.00 0.00 N ATOM 1377 CA LEU A 96 -2.134 10.254 0.988 1.00 0.00 C ATOM 1378 C LEU A 96 -2.308 11.696 1.469 1.00 0.00 C ATOM 1379 O LEU A 96 -1.773 12.624 0.865 1.00 0.00 O ATOM 1380 CB LEU A 96 -2.464 10.056 -0.493 1.00 0.00 C ATOM 1381 CG LEU A 96 -2.624 8.606 -0.957 1.00 0.00 C ATOM 1382 CD1 LEU A 96 -3.394 8.535 -2.277 1.00 0.00 C ATOM 1383 CD2 LEU A 96 -1.267 7.906 -1.046 1.00 0.00 C ATOM 0 H LEU A 96 -3.925 9.315 1.537 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.077 10.008 1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.388 10.591 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.676 10.521 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.213 8.072 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.494 7.494 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.384 8.971 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.853 9.090 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.409 6.878 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.632 8.433 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.791 7.908 -0.065 1.00 0.00 H new ATOM 1395 N GLU A 97 -3.057 11.838 2.552 1.00 0.00 N ATOM 1396 CA GLU A 97 -3.308 13.151 3.122 1.00 0.00 C ATOM 1397 C GLU A 97 -1.995 13.793 3.575 1.00 0.00 C ATOM 1398 O GLU A 97 -1.786 14.990 3.383 1.00 0.00 O ATOM 1399 CB GLU A 97 -4.304 13.066 4.279 1.00 0.00 C ATOM 1400 CG GLU A 97 -5.468 14.038 4.074 1.00 0.00 C ATOM 1401 CD GLU A 97 -6.338 14.125 5.329 1.00 0.00 C ATOM 1402 OE1 GLU A 97 -5.941 14.878 6.244 1.00 0.00 O ATOM 1403 OE2 GLU A 97 -7.381 13.436 5.346 1.00 0.00 O ATOM 0 H GLU A 97 -3.499 11.065 3.050 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.751 13.781 2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.686 12.048 4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.797 13.293 5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.081 15.027 3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.074 13.712 3.229 1.00 0.00 H new ATOM 1410 N PRO A 98 -1.121 12.946 4.183 1.00 0.00 N ATOM 1411 CA PRO A 98 0.166 13.418 4.664 1.00 0.00 C ATOM 1412 C PRO A 98 1.137 13.642 3.504 1.00 0.00 C ATOM 1413 O PRO A 98 2.086 14.416 3.624 1.00 0.00 O ATOM 1414 CB PRO A 98 0.638 12.349 5.636 1.00 0.00 C ATOM 1415 CG PRO A 98 -0.173 11.105 5.314 1.00 0.00 C ATOM 1416 CD PRO A 98 -1.334 11.523 4.427 1.00 0.00 C ATOM 0 HA PRO A 98 0.101 14.387 5.159 1.00 0.00 H new ATOM 0 HB2 PRO A 98 1.705 12.160 5.521 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.480 12.662 6.668 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.447 10.365 4.808 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.540 10.641 6.229 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.343 10.958 3.495 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.291 11.344 4.917 1.00 0.00 H new ATOM 1424 N VAL A 99 0.868 12.950 2.406 1.00 0.00 N ATOM 1425 CA VAL A 99 1.706 13.064 1.225 1.00 0.00 C ATOM 1426 C VAL A 99 1.164 14.177 0.326 1.00 0.00 C ATOM 1427 O VAL A 99 1.746 14.477 -0.716 1.00 0.00 O ATOM 1428 CB VAL A 99 1.795 11.712 0.514 1.00 0.00 C ATOM 1429 CG1 VAL A 99 0.678 11.562 -0.521 1.00 0.00 C ATOM 1430 CG2 VAL A 99 3.169 11.521 -0.130 1.00 0.00 C ATOM 0 H VAL A 99 0.081 12.308 2.310 1.00 0.00 H new ATOM 0 HA VAL A 99 2.724 13.337 1.504 1.00 0.00 H new ATOM 0 HB VAL A 99 1.665 10.930 1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.764 10.593 -1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.290 11.632 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.763 12.354 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.206 10.552 -0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.342 12.312 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.940 11.563 0.639 1.00 0.00 H new ATOM 1440 N PHE A 100 0.057 14.761 0.762 1.00 0.00 N ATOM 1441 CA PHE A 100 -0.569 15.834 0.009 1.00 0.00 C ATOM 1442 C PHE A 100 -0.218 17.199 0.606 1.00 0.00 C ATOM 1443 O PHE A 100 -0.086 18.183 -0.120 1.00 0.00 O ATOM 1444 CB PHE A 100 -2.081 15.623 0.103 1.00 0.00 C ATOM 1445 CG PHE A 100 -2.599 14.453 -0.736 1.00 0.00 C ATOM 1446 CD1 PHE A 100 -1.744 13.755 -1.530 1.00 0.00 C ATOM 1447 CD2 PHE A 100 -3.915 14.112 -0.687 1.00 0.00 C ATOM 1448 CE1 PHE A 100 -2.225 12.669 -2.309 1.00 0.00 C ATOM 1449 CE2 PHE A 100 -4.396 13.026 -1.465 1.00 0.00 C ATOM 1450 CZ PHE A 100 -3.541 12.327 -2.260 1.00 0.00 C ATOM 0 H PHE A 100 -0.422 14.511 1.627 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.220 15.818 -1.023 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.350 15.456 1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.585 16.536 -0.214 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.699 14.026 -1.568 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.594 14.667 -0.057 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.546 12.115 -2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.441 12.755 -1.426 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.907 11.501 -2.852 1.00 0.00 H new ATOM 1460 N VAL A 101 -0.078 17.214 1.924 1.00 0.00 N ATOM 1461 CA VAL A 101 0.255 18.442 2.626 1.00 0.00 C ATOM 1462 C VAL A 101 1.776 18.564 2.739 1.00 0.00 C ATOM 1463 O VAL A 101 2.312 19.670 2.778 1.00 0.00 O ATOM 1464 CB VAL A 101 -0.450 18.475 3.984 1.00 0.00 C ATOM 1465 CG1 VAL A 101 -1.894 17.985 3.864 1.00 0.00 C ATOM 1466 CG2 VAL A 101 0.322 17.658 5.022 1.00 0.00 C ATOM 0 H VAL A 101 -0.189 16.396 2.523 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.100 19.309 2.069 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.475 19.510 4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.372 18.018 4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.439 18.626 3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.901 16.961 3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.200 17.698 5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.393 16.622 4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.324 18.071 5.138 1.00 0.00 H new ATOM 1476 N GLU A 102 2.428 17.412 2.788 1.00 0.00 N ATOM 1477 CA GLU A 102 3.876 17.376 2.895 1.00 0.00 C ATOM 1478 C GLU A 102 4.512 17.365 1.503 1.00 0.00 C ATOM 1479 O GLU A 102 5.492 18.067 1.259 1.00 0.00 O ATOM 1480 CB GLU A 102 4.335 16.169 3.717 1.00 0.00 C ATOM 1481 CG GLU A 102 3.711 16.188 5.114 1.00 0.00 C ATOM 1482 CD GLU A 102 4.712 16.695 6.154 1.00 0.00 C ATOM 1483 OE1 GLU A 102 5.000 17.911 6.118 1.00 0.00 O ATOM 1484 OE2 GLU A 102 5.165 15.856 6.962 1.00 0.00 O ATOM 0 H GLU A 102 1.980 16.496 2.756 1.00 0.00 H new ATOM 0 HA GLU A 102 4.205 18.275 3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.058 15.248 3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.422 16.173 3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.827 16.826 5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.379 15.185 5.382 1.00 0.00 H new ATOM 1491 N GLY A 103 3.927 16.561 0.627 1.00 0.00 N ATOM 1492 CA GLY A 103 4.424 16.449 -0.734 1.00 0.00 C ATOM 1493 C GLY A 103 5.350 15.241 -0.882 1.00 0.00 C ATOM 1494 O GLY A 103 5.691 14.849 -1.997 1.00 0.00 O ATOM 0 H GLY A 103 3.114 15.981 0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.586 16.356 -1.424 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.961 17.358 -1.005 1.00 0.00 H new ATOM 1498 N SER A 104 5.731 14.684 0.258 1.00 0.00 N ATOM 1499 CA SER A 104 6.611 13.528 0.269 1.00 0.00 C ATOM 1500 C SER A 104 6.596 12.872 1.651 1.00 0.00 C ATOM 1501 O SER A 104 6.740 13.551 2.666 1.00 0.00 O ATOM 1502 CB SER A 104 8.039 13.919 -0.117 1.00 0.00 C ATOM 1503 OG SER A 104 8.067 14.800 -1.237 1.00 0.00 O ATOM 0 H SER A 104 5.446 15.012 1.181 1.00 0.00 H new ATOM 0 HA SER A 104 6.246 12.814 -0.469 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.526 14.397 0.733 1.00 0.00 H new ATOM 0 HB3 SER A 104 8.611 13.020 -0.348 1.00 0.00 H new ATOM 0 HG SER A 104 7.424 14.494 -1.910 1.00 0.00 H new ATOM 1509 N ILE A 105 6.421 11.558 1.646 1.00 0.00 N ATOM 1510 CA ILE A 105 6.385 10.803 2.887 1.00 0.00 C ATOM 1511 C ILE A 105 7.421 9.679 2.824 1.00 0.00 C ATOM 1512 O ILE A 105 7.572 9.026 1.793 1.00 0.00 O ATOM 1513 CB ILE A 105 4.964 10.315 3.176 1.00 0.00 C ATOM 1514 CG1 ILE A 105 3.966 11.473 3.127 1.00 0.00 C ATOM 1515 CG2 ILE A 105 4.904 9.562 4.507 1.00 0.00 C ATOM 1516 CD1 ILE A 105 4.328 12.553 4.148 1.00 0.00 C ATOM 0 H ILE A 105 6.303 10.997 0.802 1.00 0.00 H new ATOM 0 HA ILE A 105 6.655 11.440 3.729 1.00 0.00 H new ATOM 0 HB ILE A 105 4.678 9.611 2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.953 11.904 2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.961 11.101 3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.883 9.226 4.689 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.569 8.699 4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.217 10.224 5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.602 13.364 4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.317 12.125 5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.323 12.941 3.930 1.00 0.00 H new ATOM 1528 N PRO A 106 8.125 9.482 3.970 1.00 0.00 N ATOM 1529 CA PRO A 106 9.142 8.448 4.056 1.00 0.00 C ATOM 1530 C PRO A 106 8.506 7.061 4.168 1.00 0.00 C ATOM 1531 O PRO A 106 7.291 6.941 4.315 1.00 0.00 O ATOM 1532 CB PRO A 106 9.979 8.817 5.270 1.00 0.00 C ATOM 1533 CG PRO A 106 9.126 9.774 6.087 1.00 0.00 C ATOM 1534 CD PRO A 106 7.973 10.236 5.211 1.00 0.00 C ATOM 0 HA PRO A 106 9.764 8.395 3.162 1.00 0.00 H new ATOM 0 HB2 PRO A 106 10.238 7.931 5.850 1.00 0.00 H new ATOM 0 HB3 PRO A 106 10.916 9.287 4.971 1.00 0.00 H new ATOM 0 HG2 PRO A 106 8.750 9.280 6.983 1.00 0.00 H new ATOM 0 HG3 PRO A 106 9.719 10.626 6.418 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.011 10.033 5.682 1.00 0.00 H new ATOM 0 HD3 PRO A 106 8.019 11.310 5.030 1.00 0.00 H new ATOM 1542 N PRO A 107 9.379 6.020 4.092 1.00 0.00 N ATOM 1543 CA PRO A 107 8.915 4.646 4.184 1.00 0.00 C ATOM 1544 C PRO A 107 8.554 4.284 5.626 1.00 0.00 C ATOM 1545 O PRO A 107 9.437 4.059 6.452 1.00 0.00 O ATOM 1546 CB PRO A 107 10.055 3.809 3.628 1.00 0.00 C ATOM 1547 CG PRO A 107 11.288 4.696 3.679 1.00 0.00 C ATOM 1548 CD PRO A 107 10.825 6.124 3.918 1.00 0.00 C ATOM 0 HA PRO A 107 7.999 4.472 3.620 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.200 2.905 4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.844 3.492 2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 107 11.958 4.373 4.476 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.847 4.627 2.746 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.300 6.552 4.801 1.00 0.00 H new ATOM 0 HD3 PRO A 107 11.077 6.768 3.076 1.00 0.00 H new ATOM 1556 N THR A 108 7.255 4.240 5.884 1.00 0.00 N ATOM 1557 CA THR A 108 6.767 3.909 7.212 1.00 0.00 C ATOM 1558 C THR A 108 5.958 2.611 7.174 1.00 0.00 C ATOM 1559 O THR A 108 5.357 2.279 6.154 1.00 0.00 O ATOM 1560 CB THR A 108 5.972 5.106 7.735 1.00 0.00 C ATOM 1561 OG1 THR A 108 6.971 6.015 8.189 1.00 0.00 O ATOM 1562 CG2 THR A 108 5.172 4.772 8.996 1.00 0.00 C ATOM 0 H THR A 108 6.526 4.428 5.196 1.00 0.00 H new ATOM 0 HA THR A 108 7.590 3.722 7.901 1.00 0.00 H new ATOM 0 HB THR A 108 5.294 5.459 6.958 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.542 6.822 8.543 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.626 5.656 9.325 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.466 3.970 8.778 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.853 4.451 9.784 1.00 0.00 H new ATOM 1570 N ALA A 109 5.968 1.912 8.300 1.00 0.00 N ATOM 1571 CA ALA A 109 5.242 0.658 8.409 1.00 0.00 C ATOM 1572 C ALA A 109 3.797 0.944 8.819 1.00 0.00 C ATOM 1573 O ALA A 109 3.540 1.367 9.946 1.00 0.00 O ATOM 1574 CB ALA A 109 5.959 -0.262 9.399 1.00 0.00 C ATOM 0 H ALA A 109 6.467 2.190 9.145 1.00 0.00 H new ATOM 0 HA ALA A 109 5.215 0.145 7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.415 -1.203 9.481 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.971 -0.458 9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.002 0.219 10.376 1.00 0.00 H new ATOM 1580 N TYR A 110 2.890 0.703 7.884 1.00 0.00 N ATOM 1581 CA TYR A 110 1.477 0.929 8.135 1.00 0.00 C ATOM 1582 C TYR A 110 0.823 -0.311 8.746 1.00 0.00 C ATOM 1583 O TYR A 110 0.928 -1.407 8.197 1.00 0.00 O ATOM 1584 CB TYR A 110 0.845 1.203 6.768 1.00 0.00 C ATOM 1585 CG TYR A 110 1.369 2.467 6.083 1.00 0.00 C ATOM 1586 CD1 TYR A 110 1.057 3.710 6.595 1.00 0.00 C ATOM 1587 CD2 TYR A 110 2.154 2.364 4.953 1.00 0.00 C ATOM 1588 CE1 TYR A 110 1.550 4.899 5.950 1.00 0.00 C ATOM 1589 CE2 TYR A 110 2.647 3.553 4.307 1.00 0.00 C ATOM 1590 CZ TYR A 110 2.320 4.762 4.838 1.00 0.00 C ATOM 1591 OH TYR A 110 2.786 5.885 4.228 1.00 0.00 O ATOM 0 H TYR A 110 3.106 0.353 6.951 1.00 0.00 H new ATOM 0 HA TYR A 110 1.339 1.754 8.833 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.026 0.348 6.117 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.235 1.289 6.889 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.443 3.791 7.480 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.399 1.391 4.553 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.313 5.878 6.341 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.262 3.486 3.422 1.00 0.00 H new ATOM 0 HH TYR A 110 3.322 5.634 3.447 1.00 0.00 H new ATOM 1601 N ASN A 111 0.162 -0.097 9.874 1.00 0.00 N ATOM 1602 CA ASN A 111 -0.509 -1.185 10.566 1.00 0.00 C ATOM 1603 C ASN A 111 -1.177 -2.102 9.540 1.00 0.00 C ATOM 1604 O ASN A 111 -1.986 -1.649 8.732 1.00 0.00 O ATOM 1605 CB ASN A 111 -1.596 -0.654 11.503 1.00 0.00 C ATOM 1606 CG ASN A 111 -2.069 0.733 11.063 1.00 0.00 C ATOM 1607 OD1 ASN A 111 -1.290 1.652 10.870 1.00 0.00 O ATOM 1608 ND2 ASN A 111 -3.387 0.833 10.916 1.00 0.00 N ATOM 0 H ASN A 111 0.077 0.813 10.326 1.00 0.00 H new ATOM 0 HA ASN A 111 0.238 -1.725 11.148 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.440 -1.343 11.514 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.211 -0.605 12.522 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -3.802 1.718 10.625 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -3.983 0.024 11.094 1.00 0.00 H new ATOM 1615 N VAL A 112 -0.812 -3.374 9.605 1.00 0.00 N ATOM 1616 CA VAL A 112 -1.366 -4.359 8.691 1.00 0.00 C ATOM 1617 C VAL A 112 -2.391 -5.217 9.434 1.00 0.00 C ATOM 1618 O VAL A 112 -2.026 -6.160 10.135 1.00 0.00 O ATOM 1619 CB VAL A 112 -0.239 -5.182 8.063 1.00 0.00 C ATOM 1620 CG1 VAL A 112 -0.777 -6.485 7.470 1.00 0.00 C ATOM 1621 CG2 VAL A 112 0.512 -4.368 7.007 1.00 0.00 C ATOM 0 H VAL A 112 -0.140 -3.745 10.276 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.888 -3.868 7.870 1.00 0.00 H new ATOM 0 HB VAL A 112 0.467 -5.439 8.852 1.00 0.00 H new ATOM 0 HG11 VAL A 112 0.044 -7.051 7.030 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -1.245 -7.077 8.257 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.514 -6.257 6.700 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.307 -4.976 6.577 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.180 -4.066 6.221 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.944 -3.481 7.471 1.00 0.00 H new ATOM 1631 N VAL A 113 -3.655 -4.861 9.254 1.00 0.00 N ATOM 1632 CA VAL A 113 -4.736 -5.588 9.898 1.00 0.00 C ATOM 1633 C VAL A 113 -5.451 -6.455 8.861 1.00 0.00 C ATOM 1634 O VAL A 113 -5.255 -6.281 7.659 1.00 0.00 O ATOM 1635 CB VAL A 113 -5.673 -4.610 10.609 1.00 0.00 C ATOM 1636 CG1 VAL A 113 -5.360 -4.538 12.104 1.00 0.00 C ATOM 1637 CG2 VAL A 113 -5.607 -3.222 9.967 1.00 0.00 C ATOM 0 H VAL A 113 -3.954 -4.079 8.672 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.344 -6.256 10.664 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.691 -4.982 10.498 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.041 -3.836 12.585 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.483 -5.525 12.549 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.333 -4.202 12.245 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.282 -2.546 10.491 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.588 -2.839 10.032 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.903 -3.291 8.920 1.00 0.00 H new ATOM 1647 N LYS A 114 -6.267 -7.371 9.363 1.00 0.00 N ATOM 1648 CA LYS A 114 -7.012 -8.266 8.494 1.00 0.00 C ATOM 1649 C LYS A 114 -8.409 -8.490 9.078 1.00 0.00 C ATOM 1650 O LYS A 114 -8.613 -9.407 9.872 1.00 0.00 O ATOM 1651 CB LYS A 114 -6.230 -9.559 8.258 1.00 0.00 C ATOM 1652 CG LYS A 114 -6.834 -10.363 7.105 1.00 0.00 C ATOM 1653 CD LYS A 114 -7.749 -11.471 7.630 1.00 0.00 C ATOM 1654 CE LYS A 114 -8.213 -12.385 6.494 1.00 0.00 C ATOM 1655 NZ LYS A 114 -8.106 -13.805 6.894 1.00 0.00 N ATOM 0 H LYS A 114 -6.428 -7.512 10.360 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.145 -7.818 7.509 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.189 -9.323 8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.233 -10.161 9.167 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.399 -9.699 6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.036 -10.799 6.504 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.221 -12.058 8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.615 -11.029 8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -9.245 -12.152 6.231 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.609 -12.205 5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.277 -14.412 6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.153 -13.990 7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.812 -14.013 7.629 1.00 0.00 H new ATOM 1669 N ASP A 115 -9.333 -7.637 8.662 1.00 0.00 N ATOM 1670 CA ASP A 115 -10.704 -7.731 9.134 1.00 0.00 C ATOM 1671 C ASP A 115 -10.830 -7.000 10.472 1.00 0.00 C ATOM 1672 O ASP A 115 -11.923 -6.593 10.861 1.00 0.00 O ATOM 1673 CB ASP A 115 -11.113 -9.189 9.352 1.00 0.00 C ATOM 1674 CG ASP A 115 -12.609 -9.471 9.194 1.00 0.00 C ATOM 1675 OD1 ASP A 115 -13.350 -9.157 10.151 1.00 0.00 O ATOM 1676 OD2 ASP A 115 -12.977 -9.995 8.120 1.00 0.00 O ATOM 0 H ASP A 115 -9.159 -6.878 8.003 1.00 0.00 H new ATOM 0 HA ASP A 115 -11.351 -7.284 8.380 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.564 -9.814 8.647 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -10.805 -9.491 10.353 1.00 0.00 H new ATOM 1681 N GLU A 116 -9.694 -6.854 11.139 1.00 0.00 N ATOM 1682 CA GLU A 116 -9.663 -6.179 12.425 1.00 0.00 C ATOM 1683 C GLU A 116 -8.463 -6.655 13.246 1.00 0.00 C ATOM 1684 O GLU A 116 -8.034 -5.975 14.177 1.00 0.00 O ATOM 1685 CB GLU A 116 -10.971 -6.395 13.190 1.00 0.00 C ATOM 1686 CG GLU A 116 -11.443 -7.845 13.068 1.00 0.00 C ATOM 1687 CD GLU A 116 -11.570 -8.498 14.446 1.00 0.00 C ATOM 1688 OE1 GLU A 116 -10.584 -8.408 15.210 1.00 0.00 O ATOM 1689 OE2 GLU A 116 -12.650 -9.072 14.706 1.00 0.00 O ATOM 0 H GLU A 116 -8.789 -7.192 10.813 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.556 -5.109 12.249 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.828 -6.142 14.241 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.738 -5.725 12.802 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.405 -7.876 12.557 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.739 -8.410 12.457 1.00 0.00 H new ATOM 1696 N GLU A 117 -7.955 -7.820 12.871 1.00 0.00 N ATOM 1697 CA GLU A 117 -6.813 -8.396 13.561 1.00 0.00 C ATOM 1698 C GLU A 117 -5.509 -7.857 12.969 1.00 0.00 C ATOM 1699 O GLU A 117 -5.362 -7.777 11.751 1.00 0.00 O ATOM 1700 CB GLU A 117 -6.851 -9.924 13.504 1.00 0.00 C ATOM 1701 CG GLU A 117 -7.759 -10.492 14.596 1.00 0.00 C ATOM 1702 CD GLU A 117 -8.713 -11.543 14.025 1.00 0.00 C ATOM 1703 OE1 GLU A 117 -8.199 -12.590 13.574 1.00 0.00 O ATOM 1704 OE2 GLU A 117 -9.934 -11.277 14.051 1.00 0.00 O ATOM 0 H GLU A 117 -8.313 -8.381 12.098 1.00 0.00 H new ATOM 0 HA GLU A 117 -6.861 -8.104 14.610 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.208 -10.246 12.526 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -5.843 -10.321 13.622 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.151 -10.937 15.384 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -8.332 -9.685 15.053 1.00 0.00 H new ATOM 1711 N TYR A 118 -4.595 -7.501 13.860 1.00 0.00 N ATOM 1712 CA TYR A 118 -3.308 -6.971 13.442 1.00 0.00 C ATOM 1713 C TYR A 118 -2.385 -8.092 12.959 1.00 0.00 C ATOM 1714 O TYR A 118 -1.935 -8.916 13.755 1.00 0.00 O ATOM 1715 CB TYR A 118 -2.696 -6.321 14.683 1.00 0.00 C ATOM 1716 CG TYR A 118 -1.487 -5.430 14.387 1.00 0.00 C ATOM 1717 CD1 TYR A 118 -1.645 -4.277 13.646 1.00 0.00 C ATOM 1718 CD2 TYR A 118 -0.239 -5.780 14.862 1.00 0.00 C ATOM 1719 CE1 TYR A 118 -0.508 -3.439 13.367 1.00 0.00 C ATOM 1720 CE2 TYR A 118 0.898 -4.942 14.583 1.00 0.00 C ATOM 1721 CZ TYR A 118 0.707 -3.813 13.850 1.00 0.00 C ATOM 1722 OH TYR A 118 1.781 -3.021 13.586 1.00 0.00 O ATOM 0 H TYR A 118 -4.720 -7.569 14.870 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.432 -6.266 12.620 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.460 -5.725 15.183 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.396 -7.104 15.380 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.622 -4.003 13.275 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.116 -6.682 15.443 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.617 -2.534 12.787 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.880 -5.204 14.948 1.00 0.00 H new ATOM 0 HH TYR A 118 2.572 -3.581 13.441 1.00 0.00 H new ATOM 1732 N LYS A 119 -2.130 -8.087 11.659 1.00 0.00 N ATOM 1733 CA LYS A 119 -1.269 -9.094 11.062 1.00 0.00 C ATOM 1734 C LYS A 119 0.188 -8.636 11.162 1.00 0.00 C ATOM 1735 O LYS A 119 1.103 -9.457 11.125 1.00 0.00 O ATOM 1736 CB LYS A 119 -1.719 -9.404 9.633 1.00 0.00 C ATOM 1737 CG LYS A 119 -3.136 -9.981 9.617 1.00 0.00 C ATOM 1738 CD LYS A 119 -3.207 -11.283 10.418 1.00 0.00 C ATOM 1739 CE LYS A 119 -4.106 -11.123 11.645 1.00 0.00 C ATOM 1740 NZ LYS A 119 -4.370 -12.439 12.269 1.00 0.00 N ATOM 0 H LYS A 119 -2.504 -7.402 11.002 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.347 -10.035 11.607 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.686 -8.495 9.032 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.029 -10.113 9.176 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.833 -9.254 10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.446 -10.165 8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.589 -12.084 9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.205 -11.576 10.732 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.630 -10.460 12.368 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.047 -10.656 11.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.982 -12.312 13.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.843 -13.060 11.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.471 -12.870 12.563 1.00 0.00 H new ATOM 1754 N GLY A 120 0.357 -7.328 11.288 1.00 0.00 N ATOM 1755 CA GLY A 120 1.686 -6.752 11.394 1.00 0.00 C ATOM 1756 C GLY A 120 1.702 -5.311 10.881 1.00 0.00 C ATOM 1757 O GLY A 120 0.944 -4.469 11.361 1.00 0.00 O ATOM 0 H GLY A 120 -0.405 -6.651 11.319 1.00 0.00 H new ATOM 0 HA2 GLY A 120 2.014 -6.775 12.433 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.393 -7.353 10.822 1.00 0.00 H new ATOM 1761 N GLU A 121 2.574 -5.070 9.913 1.00 0.00 N ATOM 1762 CA GLU A 121 2.698 -3.745 9.330 1.00 0.00 C ATOM 1763 C GLU A 121 3.285 -3.839 7.920 1.00 0.00 C ATOM 1764 O GLU A 121 3.919 -4.833 7.572 1.00 0.00 O ATOM 1765 CB GLU A 121 3.547 -2.833 10.218 1.00 0.00 C ATOM 1766 CG GLU A 121 4.842 -3.530 10.641 1.00 0.00 C ATOM 1767 CD GLU A 121 5.454 -2.851 11.868 1.00 0.00 C ATOM 1768 OE1 GLU A 121 4.764 -2.833 12.910 1.00 0.00 O ATOM 1769 OE2 GLU A 121 6.598 -2.366 11.736 1.00 0.00 O ATOM 0 H GLU A 121 3.202 -5.770 9.518 1.00 0.00 H new ATOM 0 HA GLU A 121 1.703 -3.305 9.260 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.783 -1.914 9.681 1.00 0.00 H new ATOM 0 HB3 GLU A 121 2.977 -2.548 11.103 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.639 -4.578 10.864 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.555 -3.511 9.817 1.00 0.00 H new ATOM 1776 N ILE A 122 3.052 -2.789 7.146 1.00 0.00 N ATOM 1777 CA ILE A 122 3.550 -2.740 5.782 1.00 0.00 C ATOM 1778 C ILE A 122 4.339 -1.445 5.578 1.00 0.00 C ATOM 1779 O ILE A 122 3.824 -0.355 5.820 1.00 0.00 O ATOM 1780 CB ILE A 122 2.403 -2.924 4.786 1.00 0.00 C ATOM 1781 CG1 ILE A 122 2.937 -3.209 3.381 1.00 0.00 C ATOM 1782 CG2 ILE A 122 1.459 -1.720 4.808 1.00 0.00 C ATOM 1783 CD1 ILE A 122 1.816 -3.683 2.454 1.00 0.00 C ATOM 0 H ILE A 122 2.525 -1.966 7.438 1.00 0.00 H new ATOM 0 HA ILE A 122 4.238 -3.565 5.598 1.00 0.00 H new ATOM 0 HB ILE A 122 1.822 -3.794 5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.395 -2.308 2.973 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.717 -3.968 3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 122 0.653 -1.876 4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 122 1.039 -1.605 5.807 1.00 0.00 H new ATOM 0 HG23 ILE A 122 2.012 -0.819 4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 122 2.223 -3.879 1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 122 1.376 -4.597 2.853 1.00 0.00 H new ATOM 0 HD13 ILE A 122 1.049 -2.911 2.386 1.00 0.00 H new ATOM 1795 N TRP A 123 5.577 -1.608 5.133 1.00 0.00 N ATOM 1796 CA TRP A 123 6.442 -0.466 4.894 1.00 0.00 C ATOM 1797 C TRP A 123 6.215 0.006 3.456 1.00 0.00 C ATOM 1798 O TRP A 123 6.366 -0.769 2.513 1.00 0.00 O ATOM 1799 CB TRP A 123 7.903 -0.814 5.185 1.00 0.00 C ATOM 1800 CG TRP A 123 8.226 -0.949 6.674 1.00 0.00 C ATOM 1801 CD1 TRP A 123 7.799 -1.887 7.529 1.00 0.00 C ATOM 1802 CD2 TRP A 123 9.068 -0.073 7.454 1.00 0.00 C ATOM 1803 NE1 TRP A 123 8.302 -1.682 8.798 1.00 0.00 N ATOM 1804 CE2 TRP A 123 9.098 -0.544 8.750 1.00 0.00 C ATOM 1805 CE3 TRP A 123 9.781 1.078 7.075 1.00 0.00 C ATOM 1806 CZ2 TRP A 123 9.826 0.075 9.774 1.00 0.00 C ATOM 1807 CZ3 TRP A 123 10.503 1.685 8.110 1.00 0.00 C ATOM 1808 CH2 TRP A 123 10.544 1.224 9.420 1.00 0.00 C ATOM 0 H TRP A 123 6.001 -2.514 4.932 1.00 0.00 H new ATOM 0 HA TRP A 123 6.197 0.352 5.572 1.00 0.00 H new ATOM 0 HB2 TRP A 123 8.149 -1.750 4.684 1.00 0.00 H new ATOM 0 HB3 TRP A 123 8.542 -0.044 4.754 1.00 0.00 H new ATOM 0 HD1 TRP A 123 7.143 -2.702 7.259 1.00 0.00 H new ATOM 0 HE1 TRP A 123 8.122 -2.259 9.619 1.00 0.00 H new ATOM 0 HE3 TRP A 123 9.773 1.463 6.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.833 -0.313 10.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 11.068 2.574 7.873 1.00 0.00 H new ATOM 0 HH2 TRP A 123 11.127 1.749 10.162 1.00 0.00 H new ATOM 1819 N VAL A 124 5.856 1.276 3.334 1.00 0.00 N ATOM 1820 CA VAL A 124 5.606 1.860 2.027 1.00 0.00 C ATOM 1821 C VAL A 124 5.818 3.373 2.101 1.00 0.00 C ATOM 1822 O VAL A 124 5.319 4.030 3.014 1.00 0.00 O ATOM 1823 CB VAL A 124 4.208 1.475 1.540 1.00 0.00 C ATOM 1824 CG1 VAL A 124 3.945 2.025 0.137 1.00 0.00 C ATOM 1825 CG2 VAL A 124 4.011 -0.041 1.580 1.00 0.00 C ATOM 0 H VAL A 124 5.732 1.916 4.118 1.00 0.00 H new ATOM 0 HA VAL A 124 6.310 1.468 1.293 1.00 0.00 H new ATOM 0 HB VAL A 124 3.482 1.925 2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.944 1.737 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.022 3.112 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.681 1.618 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.009 -0.287 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.749 -0.521 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 124 4.135 -0.397 2.603 1.00 0.00 H new ATOM 1835 N ALA A 125 6.559 3.883 1.128 1.00 0.00 N ATOM 1836 CA ALA A 125 6.843 5.307 1.072 1.00 0.00 C ATOM 1837 C ALA A 125 5.911 5.969 0.056 1.00 0.00 C ATOM 1838 O ALA A 125 5.567 5.368 -0.961 1.00 0.00 O ATOM 1839 CB ALA A 125 8.320 5.520 0.733 1.00 0.00 C ATOM 0 H ALA A 125 6.971 3.336 0.372 1.00 0.00 H new ATOM 0 HA ALA A 125 6.660 5.773 2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.533 6.588 0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.940 5.056 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.540 5.068 -0.234 1.00 0.00 H new ATOM 1845 N LEU A 126 5.527 7.199 0.366 1.00 0.00 N ATOM 1846 CA LEU A 126 4.640 7.949 -0.508 1.00 0.00 C ATOM 1847 C LEU A 126 5.330 9.246 -0.934 1.00 0.00 C ATOM 1848 O LEU A 126 6.044 9.863 -0.145 1.00 0.00 O ATOM 1849 CB LEU A 126 3.283 8.166 0.165 1.00 0.00 C ATOM 1850 CG LEU A 126 2.577 6.907 0.671 1.00 0.00 C ATOM 1851 CD1 LEU A 126 1.510 7.257 1.710 1.00 0.00 C ATOM 1852 CD2 LEU A 126 2.000 6.096 -0.491 1.00 0.00 C ATOM 0 H LEU A 126 5.814 7.695 1.210 1.00 0.00 H new ATOM 0 HA LEU A 126 4.432 7.384 -1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.422 8.844 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.624 8.668 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 126 3.316 6.278 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.023 6.344 2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.978 7.759 2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.768 7.917 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.504 5.207 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 126 1.279 6.705 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.806 5.798 -1.162 1.00 0.00 H new ATOM 1864 N SER A 127 5.092 9.623 -2.182 1.00 0.00 N ATOM 1865 CA SER A 127 5.681 10.836 -2.723 1.00 0.00 C ATOM 1866 C SER A 127 4.738 11.461 -3.754 1.00 0.00 C ATOM 1867 O SER A 127 4.688 11.021 -4.901 1.00 0.00 O ATOM 1868 CB SER A 127 7.045 10.551 -3.356 1.00 0.00 C ATOM 1869 OG SER A 127 7.943 9.939 -2.434 1.00 0.00 O ATOM 0 H SER A 127 4.499 9.109 -2.834 1.00 0.00 H new ATOM 0 HA SER A 127 5.830 11.539 -1.903 1.00 0.00 H new ATOM 0 HB2 SER A 127 6.915 9.901 -4.221 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.478 11.483 -3.720 1.00 0.00 H new ATOM 0 HG SER A 127 8.802 9.772 -2.876 1.00 0.00 H new ATOM 1875 N PHE A 128 4.014 12.476 -3.307 1.00 0.00 N ATOM 1876 CA PHE A 128 3.076 13.166 -4.175 1.00 0.00 C ATOM 1877 C PHE A 128 3.800 14.164 -5.082 1.00 0.00 C ATOM 1878 O PHE A 128 4.890 14.630 -4.753 1.00 0.00 O ATOM 1879 CB PHE A 128 2.106 13.928 -3.271 1.00 0.00 C ATOM 1880 CG PHE A 128 0.944 14.587 -4.018 1.00 0.00 C ATOM 1881 CD1 PHE A 128 0.116 13.831 -4.788 1.00 0.00 C ATOM 1882 CD2 PHE A 128 0.740 15.927 -3.913 1.00 0.00 C ATOM 1883 CE1 PHE A 128 -0.962 14.442 -5.482 1.00 0.00 C ATOM 1884 CE2 PHE A 128 -0.337 16.538 -4.606 1.00 0.00 C ATOM 1885 CZ PHE A 128 -1.166 15.783 -5.376 1.00 0.00 C ATOM 0 H PHE A 128 4.058 12.837 -2.354 1.00 0.00 H new ATOM 0 HA PHE A 128 2.560 12.446 -4.810 1.00 0.00 H new ATOM 0 HB2 PHE A 128 1.703 13.241 -2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 128 2.658 14.696 -2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.278 12.767 -4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 128 1.398 16.527 -3.302 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.620 13.842 -6.094 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.499 17.603 -4.522 1.00 0.00 H new ATOM 0 HZ PHE A 128 -1.986 16.248 -5.903 1.00 0.00 H new ATOM 1895 N LYS A 129 3.165 14.462 -6.206 1.00 0.00 N ATOM 1896 CA LYS A 129 3.735 15.396 -7.162 1.00 0.00 C ATOM 1897 C LYS A 129 2.616 16.248 -7.765 1.00 0.00 C ATOM 1898 O LYS A 129 2.016 15.870 -8.770 1.00 0.00 O ATOM 1899 CB LYS A 129 4.571 14.651 -8.205 1.00 0.00 C ATOM 1900 CG LYS A 129 5.961 14.319 -7.658 1.00 0.00 C ATOM 1901 CD LYS A 129 6.675 13.306 -8.554 1.00 0.00 C ATOM 1902 CE LYS A 129 8.177 13.590 -8.615 1.00 0.00 C ATOM 1903 NZ LYS A 129 8.794 12.877 -9.756 1.00 0.00 N ATOM 0 H LYS A 129 2.261 14.073 -6.476 1.00 0.00 H new ATOM 0 HA LYS A 129 4.423 16.079 -6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 129 4.062 13.732 -8.496 1.00 0.00 H new ATOM 0 HB3 LYS A 129 4.666 15.261 -9.103 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.555 15.230 -7.588 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.872 13.918 -6.648 1.00 0.00 H new ATOM 0 HD2 LYS A 129 6.507 12.298 -8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 129 6.253 13.343 -9.558 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.347 14.662 -8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.650 13.277 -7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 9.813 13.081 -9.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 8.648 11.853 -9.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 8.354 13.195 -10.643 1.00 0.00 H new ATOM 1917 N PRO A 130 2.362 17.412 -7.109 1.00 0.00 N ATOM 1918 CA PRO A 130 1.326 18.320 -7.569 1.00 0.00 C ATOM 1919 C PRO A 130 1.780 19.082 -8.816 1.00 0.00 C ATOM 1920 O PRO A 130 2.968 19.352 -8.985 1.00 0.00 O ATOM 1921 CB PRO A 130 1.047 19.232 -6.385 1.00 0.00 C ATOM 1922 CG PRO A 130 2.253 19.105 -5.468 1.00 0.00 C ATOM 1923 CD PRO A 130 3.053 17.892 -5.915 1.00 0.00 C ATOM 0 HA PRO A 130 0.418 17.801 -7.877 1.00 0.00 H new ATOM 0 HB2 PRO A 130 0.910 20.263 -6.710 1.00 0.00 H new ATOM 0 HB3 PRO A 130 0.133 18.936 -5.871 1.00 0.00 H new ATOM 0 HG2 PRO A 130 2.866 20.005 -5.516 1.00 0.00 H new ATOM 0 HG3 PRO A 130 1.934 18.991 -4.432 1.00 0.00 H new ATOM 0 HD2 PRO A 130 4.087 18.159 -6.136 1.00 0.00 H new ATOM 0 HD3 PRO A 130 3.080 17.127 -5.139 1.00 0.00 H new ATOM 1931 N SER A 131 0.810 19.408 -9.657 1.00 0.00 N ATOM 1932 CA SER A 131 1.094 20.133 -10.884 1.00 0.00 C ATOM 1933 C SER A 131 1.258 21.625 -10.583 1.00 0.00 C ATOM 1934 O SER A 131 0.308 22.395 -10.708 1.00 0.00 O ATOM 1935 CB SER A 131 -0.011 19.919 -11.920 1.00 0.00 C ATOM 1936 OG SER A 131 0.337 20.460 -13.191 1.00 0.00 O ATOM 0 H SER A 131 -0.174 19.183 -9.513 1.00 0.00 H new ATOM 0 HA SER A 131 2.024 19.748 -11.301 1.00 0.00 H new ATOM 0 HB2 SER A 131 -0.210 18.852 -12.022 1.00 0.00 H new ATOM 0 HB3 SER A 131 -0.932 20.383 -11.568 1.00 0.00 H new ATOM 0 HG SER A 131 -0.393 20.302 -13.825 1.00 0.00 H new