USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 871 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.619 X(o=-0.62,f=-0.17) USER MOD Single : A 9 HIS : no HD1:sc= -0.0016 X(o=-0.0016,f=-0.1) USER MOD Single : A 11 THR OG1 : rot -47:sc= 1 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 1.23 (180deg=0.962) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 36 LYS NZ :NH3+ 154:sc= -0.0155 (180deg=-0.47) USER MOD Single : A 40 MET CE :methyl -113:sc= -2.07 (180deg=-4.76!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0227 USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00153) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -174:sc= -3.45! (180deg=-3.6!) USER MOD Single : A 55 TYR OH : rot 78:sc= 1.49 USER MOD Single : A 57 SER OG : rot 180:sc=-0.000137 USER MOD Single : A 59 ASN : amide:sc= -0.612 X(o=-0.61,f=-0.15) USER MOD Single : A 60 SER OG : rot 19:sc= 0.0304 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.012) USER MOD Single : A 71 LYS NZ :NH3+ -121:sc= -1.14 (180deg=-3.93!) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.313 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0445 K(o=-0.045,f=-0.75) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -113:sc= 1.13 USER MOD Single : B 89 SER OG : rot 180:sc= 0.00963 USER MOD Single : B 91 THR OG1 : rot 180:sc= 0 USER MOD Single : B 93 LYS NZ :NH3+ 164:sc= -0.442 (180deg=-0.687) USER MOD Single : B 96 SER OG : rot 180:sc= 0 USER MOD Single : B 102 SER OG : rot -46:sc= 1.04 USER MOD Single : B 104 MET CE :methyl 167:sc= -2.36 (180deg=-3.39!) USER MOD Single : B 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.084 -25.904 -2.729 1.00 0.00 N ATOM 2 CA GLY A 1 -27.350 -26.912 -3.793 1.00 0.00 C ATOM 3 C GLY A 1 -26.112 -27.237 -4.606 1.00 0.00 C ATOM 4 O GLY A 1 -25.638 -28.374 -4.597 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.961 -25.716 -2.202 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.360 -26.269 -2.078 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.745 -25.022 -3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.731 -27.825 -3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.129 -26.538 -4.457 1.00 0.00 H new ATOM 10 N VAL A 2 -25.590 -26.239 -5.310 1.00 0.00 N ATOM 11 CA VAL A 2 -24.400 -26.425 -6.133 1.00 0.00 C ATOM 12 C VAL A 2 -23.337 -25.382 -5.804 1.00 0.00 C ATOM 13 O VAL A 2 -23.580 -24.458 -5.028 1.00 0.00 O ATOM 14 CB VAL A 2 -24.737 -26.344 -7.634 1.00 0.00 C ATOM 15 CG1 VAL A 2 -25.640 -27.498 -8.041 1.00 0.00 C ATOM 16 CG2 VAL A 2 -25.383 -25.008 -7.965 1.00 0.00 C ATOM 0 H VAL A 2 -25.972 -25.293 -5.328 1.00 0.00 H new ATOM 0 HA VAL A 2 -24.012 -27.419 -5.909 1.00 0.00 H new ATOM 0 HB VAL A 2 -23.809 -26.422 -8.201 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -25.868 -27.424 -9.104 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -25.134 -28.443 -7.843 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -26.566 -27.455 -7.468 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -25.614 -24.969 -9.030 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -26.302 -24.896 -7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -24.697 -24.200 -7.713 1.00 0.00 H new ATOM 26 N ARG A 3 -22.160 -25.536 -6.402 1.00 0.00 N ATOM 27 CA ARG A 3 -21.060 -24.606 -6.173 1.00 0.00 C ATOM 28 C ARG A 3 -20.314 -24.316 -7.471 1.00 0.00 C ATOM 29 O ARG A 3 -20.134 -25.200 -8.307 1.00 0.00 O ATOM 30 CB ARG A 3 -20.091 -25.173 -5.133 1.00 0.00 C ATOM 31 CG ARG A 3 -20.418 -24.759 -3.707 1.00 0.00 C ATOM 32 CD ARG A 3 -19.380 -23.798 -3.150 1.00 0.00 C ATOM 33 NE ARG A 3 -18.040 -24.380 -3.149 1.00 0.00 N ATOM 34 CZ ARG A 3 -17.032 -23.920 -2.411 1.00 0.00 C ATOM 35 NH1 ARG A 3 -17.208 -22.873 -1.614 1.00 0.00 N ATOM 36 NH2 ARG A 3 -15.845 -24.509 -2.469 1.00 0.00 N ATOM 0 H ARG A 3 -21.944 -26.295 -7.048 1.00 0.00 H new ATOM 0 HA ARG A 3 -21.480 -23.673 -5.798 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -20.098 -26.261 -5.197 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -19.080 -24.846 -5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -21.401 -24.289 -3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -20.471 -25.645 -3.074 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -19.378 -22.883 -3.743 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -19.654 -23.518 -2.133 1.00 0.00 H new ATOM 0 HE ARG A 3 -17.867 -25.186 -3.749 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -18.119 -22.417 -1.565 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.432 -22.525 -1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.705 -25.314 -3.079 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -15.073 -24.157 -1.904 1.00 0.00 H new ATOM 50 N LYS A 4 -19.871 -23.072 -7.625 1.00 0.00 N ATOM 51 CA LYS A 4 -19.133 -22.662 -8.812 1.00 0.00 C ATOM 52 C LYS A 4 -17.932 -23.565 -9.044 1.00 0.00 C ATOM 53 O LYS A 4 -17.427 -24.179 -8.104 1.00 0.00 O ATOM 54 CB LYS A 4 -18.609 -21.233 -8.641 1.00 0.00 C ATOM 55 CG LYS A 4 -19.608 -20.253 -8.035 1.00 0.00 C ATOM 56 CD LYS A 4 -18.911 -19.202 -7.177 1.00 0.00 C ATOM 57 CE LYS A 4 -19.116 -19.455 -5.692 1.00 0.00 C ATOM 58 NZ LYS A 4 -20.474 -19.045 -5.239 1.00 0.00 N ATOM 0 H LYS A 4 -20.011 -22.330 -6.940 1.00 0.00 H new ATOM 0 HA LYS A 4 -19.817 -22.725 -9.658 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.720 -21.260 -8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.297 -20.856 -9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -20.166 -19.762 -8.832 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.331 -20.798 -7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.844 -19.200 -7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.292 -18.213 -7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.968 -20.514 -5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.364 -18.908 -5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.572 -19.234 -4.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.607 -18.029 -5.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.192 -19.585 -5.762 1.00 0.00 H new ATOM 72 N GLY A 5 -17.425 -23.585 -10.276 1.00 0.00 N ATOM 73 CA GLY A 5 -16.222 -24.348 -10.551 1.00 0.00 C ATOM 74 C GLY A 5 -15.067 -23.588 -9.947 1.00 0.00 C ATOM 75 O GLY A 5 -14.223 -23.029 -10.648 1.00 0.00 O ATOM 0 H GLY A 5 -17.821 -23.093 -11.077 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -16.293 -25.347 -10.121 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -16.082 -24.472 -11.625 1.00 0.00 H new ATOM 79 N TRP A 6 -15.113 -23.488 -8.627 1.00 0.00 N ATOM 80 CA TRP A 6 -14.163 -22.708 -7.858 1.00 0.00 C ATOM 81 C TRP A 6 -12.888 -23.448 -7.503 1.00 0.00 C ATOM 82 O TRP A 6 -11.799 -23.074 -7.925 1.00 0.00 O ATOM 83 CB TRP A 6 -14.869 -22.330 -6.558 1.00 0.00 C ATOM 84 CG TRP A 6 -14.851 -20.883 -6.261 1.00 0.00 C ATOM 85 CD1 TRP A 6 -15.926 -20.068 -6.108 1.00 0.00 C ATOM 86 CD2 TRP A 6 -13.697 -20.083 -6.069 1.00 0.00 C ATOM 87 NE1 TRP A 6 -15.506 -18.796 -5.825 1.00 0.00 N ATOM 88 CE2 TRP A 6 -14.136 -18.783 -5.798 1.00 0.00 C ATOM 89 CE3 TRP A 6 -12.333 -20.347 -6.099 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -13.254 -17.743 -5.556 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -11.452 -19.323 -5.860 1.00 0.00 C ATOM 92 CH2 TRP A 6 -11.912 -18.026 -5.589 1.00 0.00 C ATOM 0 H TRP A 6 -15.820 -23.952 -8.056 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.860 -21.856 -8.466 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -15.904 -22.667 -6.608 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -14.399 -22.865 -5.733 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -16.957 -20.377 -6.196 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.112 -17.992 -5.661 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -11.972 -21.343 -6.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.610 -16.745 -5.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -10.390 -19.518 -5.881 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -11.198 -17.237 -5.403 1.00 0.00 H new ATOM 103 N HIS A 7 -13.043 -24.475 -6.692 1.00 0.00 N ATOM 104 CA HIS A 7 -11.913 -25.265 -6.205 1.00 0.00 C ATOM 105 C HIS A 7 -11.154 -25.975 -7.323 1.00 0.00 C ATOM 106 O HIS A 7 -10.074 -26.521 -7.100 1.00 0.00 O ATOM 107 CB HIS A 7 -12.410 -26.302 -5.208 1.00 0.00 C ATOM 108 CG HIS A 7 -11.325 -26.896 -4.364 1.00 0.00 C ATOM 109 ND1 HIS A 7 -10.305 -26.148 -3.814 1.00 0.00 N ATOM 110 CD2 HIS A 7 -11.105 -28.173 -3.974 1.00 0.00 C ATOM 111 CE1 HIS A 7 -9.504 -26.940 -3.124 1.00 0.00 C ATOM 112 NE2 HIS A 7 -9.967 -28.174 -3.205 1.00 0.00 N ATOM 0 H HIS A 7 -13.950 -24.791 -6.349 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.221 -24.568 -5.733 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -13.152 -25.840 -4.557 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.915 -27.101 -5.750 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.711 -29.032 -4.221 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -8.621 -26.631 -2.585 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -9.548 -28.995 -2.768 1.00 0.00 H new ATOM 121 N GLU A 8 -11.743 -26.008 -8.503 1.00 0.00 N ATOM 122 CA GLU A 8 -11.148 -26.704 -9.643 1.00 0.00 C ATOM 123 C GLU A 8 -9.647 -26.447 -9.799 1.00 0.00 C ATOM 124 O GLU A 8 -8.873 -27.398 -9.910 1.00 0.00 O ATOM 125 CB GLU A 8 -11.851 -26.298 -10.937 1.00 0.00 C ATOM 126 CG GLU A 8 -12.181 -24.816 -11.033 1.00 0.00 C ATOM 127 CD GLU A 8 -11.174 -24.048 -11.866 1.00 0.00 C ATOM 128 OE1 GLU A 8 -10.622 -24.634 -12.820 1.00 0.00 O ATOM 129 OE2 GLU A 8 -10.937 -22.859 -11.564 1.00 0.00 O ATOM 0 H GLU A 8 -12.637 -25.561 -8.704 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.281 -27.768 -9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.219 -26.573 -11.781 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.774 -26.870 -11.030 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.173 -24.696 -11.467 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.218 -24.390 -10.030 1.00 0.00 H new ATOM 136 N HIS A 9 -9.227 -25.186 -9.845 1.00 0.00 N ATOM 137 CA HIS A 9 -7.803 -24.895 -10.033 1.00 0.00 C ATOM 138 C HIS A 9 -7.257 -23.822 -9.091 1.00 0.00 C ATOM 139 O HIS A 9 -6.329 -23.098 -9.454 1.00 0.00 O ATOM 140 CB HIS A 9 -7.544 -24.482 -11.483 1.00 0.00 C ATOM 141 CG HIS A 9 -6.256 -25.010 -12.034 1.00 0.00 C ATOM 142 ND1 HIS A 9 -5.262 -24.197 -12.537 1.00 0.00 N ATOM 143 CD2 HIS A 9 -5.801 -26.279 -12.160 1.00 0.00 C ATOM 144 CE1 HIS A 9 -4.252 -24.942 -12.949 1.00 0.00 C ATOM 145 NE2 HIS A 9 -4.553 -26.209 -12.731 1.00 0.00 N ATOM 0 H HIS A 9 -9.830 -24.368 -9.758 1.00 0.00 H new ATOM 0 HA HIS A 9 -7.273 -25.816 -9.791 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -8.367 -24.834 -12.105 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.538 -23.394 -11.547 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.322 -27.178 -11.866 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -3.336 -24.577 -13.389 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.956 -27.006 -12.951 1.00 0.00 H new ATOM 154 N VAL A 10 -7.786 -23.738 -7.877 1.00 0.00 N ATOM 155 CA VAL A 10 -7.273 -22.764 -6.911 1.00 0.00 C ATOM 156 C VAL A 10 -6.475 -23.482 -5.834 1.00 0.00 C ATOM 157 O VAL A 10 -5.344 -23.108 -5.529 1.00 0.00 O ATOM 158 CB VAL A 10 -8.373 -21.905 -6.241 1.00 0.00 C ATOM 159 CG1 VAL A 10 -7.915 -20.458 -6.133 1.00 0.00 C ATOM 160 CG2 VAL A 10 -9.688 -21.991 -6.997 1.00 0.00 C ATOM 0 H VAL A 10 -8.554 -24.317 -7.539 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.642 -22.079 -7.477 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.543 -22.301 -5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.697 -19.863 -5.660 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.007 -20.408 -5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.713 -20.065 -7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.436 -21.375 -6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.546 -21.633 -8.017 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.027 -23.027 -7.020 1.00 0.00 H new ATOM 170 N THR A 11 -7.068 -24.533 -5.279 1.00 0.00 N ATOM 171 CA THR A 11 -6.411 -25.331 -4.250 1.00 0.00 C ATOM 172 C THR A 11 -5.931 -24.458 -3.091 1.00 0.00 C ATOM 173 O THR A 11 -5.939 -23.231 -3.176 1.00 0.00 O ATOM 174 CB THR A 11 -5.234 -26.095 -4.859 1.00 0.00 C ATOM 175 OG1 THR A 11 -4.102 -25.253 -4.988 1.00 0.00 O ATOM 176 CG2 THR A 11 -5.535 -26.674 -6.229 1.00 0.00 C ATOM 0 H THR A 11 -8.005 -24.853 -5.525 1.00 0.00 H new ATOM 0 HA THR A 11 -7.137 -26.041 -3.854 1.00 0.00 H new ATOM 0 HB THR A 11 -5.039 -26.918 -4.171 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.372 -24.401 -5.390 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.657 -27.202 -6.602 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.372 -27.368 -6.155 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.792 -25.868 -6.916 1.00 0.00 H new ATOM 184 N GLN A 12 -5.517 -25.104 -2.005 1.00 0.00 N ATOM 185 CA GLN A 12 -5.036 -24.391 -0.828 1.00 0.00 C ATOM 186 C GLN A 12 -3.640 -23.820 -1.062 1.00 0.00 C ATOM 187 O GLN A 12 -3.285 -22.778 -0.510 1.00 0.00 O ATOM 188 CB GLN A 12 -5.019 -25.323 0.386 1.00 0.00 C ATOM 189 CG GLN A 12 -4.185 -26.576 0.178 1.00 0.00 C ATOM 190 CD GLN A 12 -3.466 -27.013 1.440 1.00 0.00 C ATOM 191 OE1 GLN A 12 -2.703 -26.248 2.030 1.00 0.00 O ATOM 192 NE2 GLN A 12 -3.707 -28.249 1.860 1.00 0.00 N ATOM 0 H GLN A 12 -5.505 -26.120 -1.916 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.718 -23.562 -0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.632 -24.778 1.247 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.042 -25.613 0.626 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.830 -27.384 -0.167 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.453 -26.394 -0.609 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.347 -28.849 1.339 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.252 -28.599 2.703 1.00 0.00 H new ATOM 201 N ASP A 13 -2.852 -24.510 -1.879 1.00 0.00 N ATOM 202 CA ASP A 13 -1.491 -24.075 -2.179 1.00 0.00 C ATOM 203 C ASP A 13 -1.491 -22.776 -2.981 1.00 0.00 C ATOM 204 O ASP A 13 -0.881 -21.786 -2.576 1.00 0.00 O ATOM 205 CB ASP A 13 -0.744 -25.162 -2.952 1.00 0.00 C ATOM 206 CG ASP A 13 -0.045 -26.146 -2.034 1.00 0.00 C ATOM 207 OD1 ASP A 13 -0.568 -26.402 -0.929 1.00 0.00 O ATOM 208 OD2 ASP A 13 1.026 -26.660 -2.420 1.00 0.00 O ATOM 0 H ASP A 13 -3.131 -25.373 -2.346 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.982 -23.894 -1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.447 -25.699 -3.589 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.009 -24.697 -3.609 1.00 0.00 H new ATOM 213 N LEU A 14 -2.172 -22.786 -4.122 1.00 0.00 N ATOM 214 CA LEU A 14 -2.243 -21.607 -4.978 1.00 0.00 C ATOM 215 C LEU A 14 -2.913 -20.445 -4.251 1.00 0.00 C ATOM 216 O LEU A 14 -2.540 -19.286 -4.435 1.00 0.00 O ATOM 217 CB LEU A 14 -3.002 -21.929 -6.267 1.00 0.00 C ATOM 218 CG LEU A 14 -2.326 -21.449 -7.553 1.00 0.00 C ATOM 219 CD1 LEU A 14 -1.315 -22.477 -8.040 1.00 0.00 C ATOM 220 CD2 LEU A 14 -3.366 -21.171 -8.629 1.00 0.00 C ATOM 0 H LEU A 14 -2.682 -23.596 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.225 -21.312 -5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.141 -23.008 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.994 -21.482 -6.208 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.796 -20.521 -7.338 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.844 -22.119 -8.955 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.553 -22.629 -7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.823 -23.421 -8.238 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.868 -20.831 -9.537 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.923 -22.084 -8.841 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.053 -20.399 -8.281 1.00 0.00 H new ATOM 232 N ARG A 15 -3.903 -20.763 -3.424 1.00 0.00 N ATOM 233 CA ARG A 15 -4.623 -19.744 -2.669 1.00 0.00 C ATOM 234 C ARG A 15 -3.676 -18.986 -1.743 1.00 0.00 C ATOM 235 O ARG A 15 -3.734 -17.760 -1.650 1.00 0.00 O ATOM 236 CB ARG A 15 -5.749 -20.384 -1.855 1.00 0.00 C ATOM 237 CG ARG A 15 -6.572 -19.380 -1.063 1.00 0.00 C ATOM 238 CD ARG A 15 -7.507 -20.075 -0.085 1.00 0.00 C ATOM 239 NE ARG A 15 -8.410 -21.004 -0.759 1.00 0.00 N ATOM 240 CZ ARG A 15 -9.300 -21.764 -0.124 1.00 0.00 C ATOM 241 NH1 ARG A 15 -9.410 -21.707 1.198 1.00 0.00 N ATOM 242 NH2 ARG A 15 -10.083 -22.584 -0.812 1.00 0.00 N ATOM 0 H ARG A 15 -4.225 -21.717 -3.260 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.054 -19.037 -3.377 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.408 -20.931 -2.529 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.320 -21.113 -1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.906 -18.711 -0.518 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.153 -18.763 -1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.919 -20.615 0.657 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.091 -19.328 0.452 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.356 -21.075 -1.775 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.811 -21.078 1.733 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.094 -22.292 1.679 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.003 -22.633 -1.828 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.765 -23.166 -0.325 1.00 0.00 H new ATOM 256 N SER A 16 -2.807 -19.725 -1.061 1.00 0.00 N ATOM 257 CA SER A 16 -1.847 -19.124 -0.143 1.00 0.00 C ATOM 258 C SER A 16 -0.933 -18.146 -0.875 1.00 0.00 C ATOM 259 O SER A 16 -0.701 -17.031 -0.409 1.00 0.00 O ATOM 260 CB SER A 16 -1.011 -20.211 0.536 1.00 0.00 C ATOM 261 OG SER A 16 -1.581 -20.590 1.777 1.00 0.00 O ATOM 0 H SER A 16 -2.748 -20.741 -1.127 1.00 0.00 H new ATOM 0 HA SER A 16 -2.403 -18.574 0.617 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.941 -21.081 -0.117 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.005 -19.848 0.694 1.00 0.00 H new ATOM 0 HG SER A 16 -1.030 -21.287 2.191 1.00 0.00 H new ATOM 267 N HIS A 17 -0.416 -18.573 -2.022 1.00 0.00 N ATOM 268 CA HIS A 17 0.473 -17.734 -2.819 1.00 0.00 C ATOM 269 C HIS A 17 -0.220 -16.439 -3.227 1.00 0.00 C ATOM 270 O HIS A 17 0.423 -15.401 -3.382 1.00 0.00 O ATOM 271 CB HIS A 17 0.941 -18.490 -4.065 1.00 0.00 C ATOM 272 CG HIS A 17 2.208 -19.259 -3.858 1.00 0.00 C ATOM 273 ND1 HIS A 17 3.447 -18.659 -3.763 1.00 0.00 N ATOM 274 CD2 HIS A 17 2.427 -20.589 -3.725 1.00 0.00 C ATOM 275 CE1 HIS A 17 4.371 -19.586 -3.584 1.00 0.00 C ATOM 276 NE2 HIS A 17 3.778 -20.765 -3.557 1.00 0.00 N ATOM 0 H HIS A 17 -0.597 -19.494 -2.421 1.00 0.00 H new ATOM 0 HA HIS A 17 1.339 -17.483 -2.207 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.156 -19.178 -4.379 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.086 -17.779 -4.878 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.678 -21.367 -3.747 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.431 -19.409 -3.478 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.248 -21.662 -3.432 1.00 0.00 H new ATOM 285 N LEU A 18 -1.537 -16.507 -3.400 1.00 0.00 N ATOM 286 CA LEU A 18 -2.318 -15.340 -3.791 1.00 0.00 C ATOM 287 C LEU A 18 -2.537 -14.408 -2.603 1.00 0.00 C ATOM 288 O LEU A 18 -2.658 -13.194 -2.767 1.00 0.00 O ATOM 289 CB LEU A 18 -3.666 -15.773 -4.371 1.00 0.00 C ATOM 290 CG LEU A 18 -3.590 -16.476 -5.727 1.00 0.00 C ATOM 291 CD1 LEU A 18 -4.924 -17.125 -6.066 1.00 0.00 C ATOM 292 CD2 LEU A 18 -3.181 -15.493 -6.813 1.00 0.00 C ATOM 0 H LEU A 18 -2.085 -17.358 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.759 -14.799 -4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.153 -16.440 -3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.302 -14.893 -4.470 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.833 -17.258 -5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.852 -17.621 -7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.177 -17.859 -5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.700 -16.361 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.132 -16.010 -7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.915 -14.689 -6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.203 -15.075 -6.576 1.00 0.00 H new ATOM 304 N VAL A 19 -2.587 -14.984 -1.405 1.00 0.00 N ATOM 305 CA VAL A 19 -2.792 -14.203 -0.191 1.00 0.00 C ATOM 306 C VAL A 19 -1.596 -13.297 0.087 1.00 0.00 C ATOM 307 O VAL A 19 -1.740 -12.225 0.676 1.00 0.00 O ATOM 308 CB VAL A 19 -3.029 -15.114 1.029 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.368 -14.286 2.260 1.00 0.00 C ATOM 310 CG2 VAL A 19 -4.130 -16.122 0.736 1.00 0.00 C ATOM 0 H VAL A 19 -2.488 -15.987 -1.250 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.678 -13.590 -0.353 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.109 -15.662 1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.532 -14.948 3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.543 -13.608 2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.272 -13.707 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.284 -16.757 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.055 -15.594 0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.842 -16.739 -0.115 1.00 0.00 H new ATOM 320 N HIS A 20 -0.415 -13.734 -0.340 1.00 0.00 N ATOM 321 CA HIS A 20 0.805 -12.961 -0.137 1.00 0.00 C ATOM 322 C HIS A 20 0.787 -11.683 -0.970 1.00 0.00 C ATOM 323 O HIS A 20 1.391 -10.678 -0.596 1.00 0.00 O ATOM 324 CB HIS A 20 2.032 -13.801 -0.498 1.00 0.00 C ATOM 325 CG HIS A 20 3.276 -13.381 0.221 1.00 0.00 C ATOM 326 ND1 HIS A 20 3.435 -13.503 1.587 1.00 0.00 N ATOM 327 CD2 HIS A 20 4.427 -12.839 -0.242 1.00 0.00 C ATOM 328 CE1 HIS A 20 4.628 -13.052 1.930 1.00 0.00 C ATOM 329 NE2 HIS A 20 5.250 -12.644 0.839 1.00 0.00 N ATOM 0 H HIS A 20 -0.277 -14.619 -0.828 1.00 0.00 H new ATOM 0 HA HIS A 20 0.858 -12.685 0.916 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.826 -14.847 -0.271 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.203 -13.736 -1.572 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.655 -12.604 -1.271 1.00 0.00 H new ATOM 0 HE1 HIS A 20 5.027 -13.022 2.933 1.00 0.00 H new ATOM 0 HE2 HIS A 20 6.189 -12.248 0.805 1.00 0.00 H new ATOM 338 N LYS A 21 0.093 -11.728 -2.104 1.00 0.00 N ATOM 339 CA LYS A 21 -0.002 -10.573 -2.990 1.00 0.00 C ATOM 340 C LYS A 21 -0.582 -9.369 -2.254 1.00 0.00 C ATOM 341 O LYS A 21 -0.071 -8.255 -2.366 1.00 0.00 O ATOM 342 CB LYS A 21 -0.865 -10.909 -4.209 1.00 0.00 C ATOM 343 CG LYS A 21 -0.065 -11.089 -5.488 1.00 0.00 C ATOM 344 CD LYS A 21 0.549 -12.478 -5.571 1.00 0.00 C ATOM 345 CE LYS A 21 1.970 -12.493 -5.032 1.00 0.00 C ATOM 346 NZ LYS A 21 2.399 -13.862 -4.637 1.00 0.00 N ATOM 0 H LYS A 21 -0.412 -12.552 -2.430 1.00 0.00 H new ATOM 0 HA LYS A 21 1.003 -10.319 -3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.424 -11.823 -4.008 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.596 -10.114 -4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.712 -10.924 -6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.724 -10.338 -5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.063 -13.181 -5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.548 -12.816 -6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.650 -12.104 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.039 -11.828 -4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.283 -13.805 -4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.660 -14.302 -4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.554 -14.437 -5.490 1.00 0.00 H new ATOM 360 N LEU A 22 -1.651 -9.600 -1.499 1.00 0.00 N ATOM 361 CA LEU A 22 -2.299 -8.533 -0.743 1.00 0.00 C ATOM 362 C LEU A 22 -1.327 -7.908 0.253 1.00 0.00 C ATOM 363 O LEU A 22 -1.404 -6.715 0.546 1.00 0.00 O ATOM 364 CB LEU A 22 -3.527 -9.075 -0.007 1.00 0.00 C ATOM 365 CG LEU A 22 -4.847 -8.943 -0.768 1.00 0.00 C ATOM 366 CD1 LEU A 22 -5.047 -10.128 -1.700 1.00 0.00 C ATOM 367 CD2 LEU A 22 -6.012 -8.826 0.205 1.00 0.00 C ATOM 0 H LEU A 22 -2.087 -10.516 -1.394 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.617 -7.762 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.360 -10.128 0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.620 -8.554 0.946 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.808 -8.036 -1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.991 -10.017 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.228 -10.169 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.065 -11.050 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.944 -8.733 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.052 -9.716 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.875 -7.945 0.832 1.00 0.00 H new ATOM 379 N VAL A 23 -0.413 -8.723 0.767 1.00 0.00 N ATOM 380 CA VAL A 23 0.576 -8.252 1.730 1.00 0.00 C ATOM 381 C VAL A 23 1.691 -7.476 1.036 1.00 0.00 C ATOM 382 O VAL A 23 2.284 -6.569 1.620 1.00 0.00 O ATOM 383 CB VAL A 23 1.194 -9.423 2.518 1.00 0.00 C ATOM 384 CG1 VAL A 23 2.082 -8.905 3.639 1.00 0.00 C ATOM 385 CG2 VAL A 23 0.103 -10.329 3.068 1.00 0.00 C ATOM 0 H VAL A 23 -0.336 -9.713 0.533 1.00 0.00 H new ATOM 0 HA VAL A 23 0.055 -7.592 2.424 1.00 0.00 H new ATOM 0 HB VAL A 23 1.813 -10.008 1.838 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.509 -9.747 4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.885 -8.301 3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.489 -8.295 4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.557 -11.151 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.544 -9.757 3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.487 -10.729 2.244 1.00 0.00 H new ATOM 395 N GLN A 24 1.970 -7.838 -0.212 1.00 0.00 N ATOM 396 CA GLN A 24 3.014 -7.175 -0.984 1.00 0.00 C ATOM 397 C GLN A 24 2.507 -5.862 -1.571 1.00 0.00 C ATOM 398 O GLN A 24 3.270 -4.911 -1.739 1.00 0.00 O ATOM 399 CB GLN A 24 3.507 -8.092 -2.106 1.00 0.00 C ATOM 400 CG GLN A 24 4.626 -7.487 -2.938 1.00 0.00 C ATOM 401 CD GLN A 24 4.710 -8.088 -4.328 1.00 0.00 C ATOM 402 OE1 GLN A 24 4.576 -7.385 -5.330 1.00 0.00 O ATOM 403 NE2 GLN A 24 4.932 -9.396 -4.394 1.00 0.00 N ATOM 0 H GLN A 24 1.488 -8.586 -0.710 1.00 0.00 H new ATOM 0 HA GLN A 24 3.844 -6.955 -0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.854 -9.029 -1.672 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.670 -8.335 -2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.472 -6.411 -3.020 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.576 -7.634 -2.424 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.037 -9.939 -3.537 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.998 -9.857 -5.302 1.00 0.00 H new ATOM 412 N ALA A 25 1.215 -5.817 -1.882 1.00 0.00 N ATOM 413 CA ALA A 25 0.606 -4.620 -2.451 1.00 0.00 C ATOM 414 C ALA A 25 0.801 -3.414 -1.538 1.00 0.00 C ATOM 415 O ALA A 25 1.220 -2.347 -1.984 1.00 0.00 O ATOM 416 CB ALA A 25 -0.874 -4.854 -2.708 1.00 0.00 C ATOM 0 H ALA A 25 0.570 -6.596 -1.749 1.00 0.00 H new ATOM 0 HA ALA A 25 1.101 -4.407 -3.399 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.316 -3.953 -3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.996 -5.682 -3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.373 -5.095 -1.769 1.00 0.00 H new ATOM 422 N ILE A 26 0.494 -3.592 -0.256 1.00 0.00 N ATOM 423 CA ILE A 26 0.637 -2.517 0.719 1.00 0.00 C ATOM 424 C ILE A 26 2.105 -2.229 1.008 1.00 0.00 C ATOM 425 O ILE A 26 2.544 -1.079 0.959 1.00 0.00 O ATOM 426 CB ILE A 26 -0.078 -2.858 2.040 1.00 0.00 C ATOM 427 CG1 ILE A 26 -1.507 -3.330 1.767 1.00 0.00 C ATOM 428 CG2 ILE A 26 -0.082 -1.652 2.969 1.00 0.00 C ATOM 429 CD1 ILE A 26 -2.273 -3.697 3.020 1.00 0.00 C ATOM 0 H ILE A 26 0.145 -4.469 0.131 1.00 0.00 H new ATOM 0 HA ILE A 26 0.175 -1.631 0.283 1.00 0.00 H new ATOM 0 HB ILE A 26 0.465 -3.667 2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.046 -2.543 1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.475 -4.195 1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.591 -1.910 3.898 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.945 -1.358 3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.602 -0.824 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.278 -4.022 2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.757 -4.505 3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.337 -2.828 3.675 1.00 0.00 H new ATOM 441 N PHE A 27 2.861 -3.280 1.309 1.00 0.00 N ATOM 442 CA PHE A 27 4.282 -3.139 1.607 1.00 0.00 C ATOM 443 C PHE A 27 5.109 -4.131 0.792 1.00 0.00 C ATOM 444 O PHE A 27 5.540 -5.163 1.308 1.00 0.00 O ATOM 445 CB PHE A 27 4.535 -3.350 3.100 1.00 0.00 C ATOM 446 CG PHE A 27 5.660 -2.516 3.642 1.00 0.00 C ATOM 447 CD1 PHE A 27 6.863 -2.425 2.958 1.00 0.00 C ATOM 448 CD2 PHE A 27 5.517 -1.823 4.834 1.00 0.00 C ATOM 449 CE1 PHE A 27 7.900 -1.659 3.453 1.00 0.00 C ATOM 450 CE2 PHE A 27 6.552 -1.055 5.333 1.00 0.00 C ATOM 451 CZ PHE A 27 7.745 -0.973 4.642 1.00 0.00 C ATOM 0 H PHE A 27 2.514 -4.238 1.353 1.00 0.00 H new ATOM 0 HA PHE A 27 4.587 -2.129 1.334 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.624 -3.118 3.651 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.756 -4.403 3.278 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.990 -2.959 2.028 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.586 -1.884 5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.832 -1.596 2.911 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.428 -0.519 6.263 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.555 -0.374 5.030 1.00 0.00 H new ATOM 461 N PRO A 28 5.344 -3.830 -0.497 1.00 0.00 N ATOM 462 CA PRO A 28 6.123 -4.701 -1.383 1.00 0.00 C ATOM 463 C PRO A 28 7.496 -5.031 -0.808 1.00 0.00 C ATOM 464 O PRO A 28 7.807 -6.194 -0.546 1.00 0.00 O ATOM 465 CB PRO A 28 6.266 -3.874 -2.664 1.00 0.00 C ATOM 466 CG PRO A 28 5.114 -2.930 -2.640 1.00 0.00 C ATOM 467 CD PRO A 28 4.866 -2.618 -1.190 1.00 0.00 C ATOM 0 HA PRO A 28 5.637 -5.665 -1.535 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.215 -3.339 -2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.238 -4.509 -3.550 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.340 -2.023 -3.201 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.233 -3.378 -3.099 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.411 -1.730 -0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.810 -2.432 -0.993 1.00 0.00 H new ATOM 475 N THR A 29 8.316 -4.003 -0.616 1.00 0.00 N ATOM 476 CA THR A 29 9.658 -4.185 -0.074 1.00 0.00 C ATOM 477 C THR A 29 9.600 -4.710 1.359 1.00 0.00 C ATOM 478 O THR A 29 8.629 -4.474 2.077 1.00 0.00 O ATOM 479 CB THR A 29 10.430 -2.866 -0.116 1.00 0.00 C ATOM 480 OG1 THR A 29 9.601 -1.787 0.278 1.00 0.00 O ATOM 481 CG2 THR A 29 10.987 -2.541 -1.485 1.00 0.00 C ATOM 0 H THR A 29 8.075 -3.035 -0.828 1.00 0.00 H new ATOM 0 HA THR A 29 10.176 -4.920 -0.690 1.00 0.00 H new ATOM 0 HB THR A 29 11.263 -2.997 0.575 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.113 -0.952 0.246 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.523 -1.593 -1.444 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.671 -3.331 -1.797 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.169 -2.465 -2.202 1.00 0.00 H new ATOM 489 N PRO A 30 10.647 -5.431 1.795 1.00 0.00 N ATOM 490 CA PRO A 30 10.712 -5.989 3.149 1.00 0.00 C ATOM 491 C PRO A 30 10.925 -4.913 4.209 1.00 0.00 C ATOM 492 O PRO A 30 11.574 -3.898 3.955 1.00 0.00 O ATOM 493 CB PRO A 30 11.920 -6.926 3.089 1.00 0.00 C ATOM 494 CG PRO A 30 12.784 -6.359 2.017 1.00 0.00 C ATOM 495 CD PRO A 30 11.848 -5.759 1.003 1.00 0.00 C ATOM 0 HA PRO A 30 9.784 -6.486 3.430 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.444 -6.959 4.044 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.618 -7.947 2.856 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.460 -5.604 2.419 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.404 -7.133 1.565 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.276 -4.872 0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.621 -6.462 0.201 1.00 0.00 H new ATOM 503 N ASP A 31 10.372 -5.142 5.396 1.00 0.00 N ATOM 504 CA ASP A 31 10.501 -4.192 6.493 1.00 0.00 C ATOM 505 C ASP A 31 10.714 -4.919 7.819 1.00 0.00 C ATOM 506 O ASP A 31 9.758 -5.192 8.545 1.00 0.00 O ATOM 507 CB ASP A 31 9.253 -3.310 6.579 1.00 0.00 C ATOM 508 CG ASP A 31 7.969 -4.115 6.535 1.00 0.00 C ATOM 509 OD1 ASP A 31 8.048 -5.363 6.514 1.00 0.00 O ATOM 510 OD2 ASP A 31 6.883 -3.500 6.524 1.00 0.00 O ATOM 0 H ASP A 31 9.831 -5.977 5.622 1.00 0.00 H new ATOM 0 HA ASP A 31 11.370 -3.564 6.298 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.284 -2.731 7.502 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.259 -2.596 5.755 1.00 0.00 H new ATOM 515 N PRO A 32 11.975 -5.242 8.155 1.00 0.00 N ATOM 516 CA PRO A 32 12.303 -5.939 9.403 1.00 0.00 C ATOM 517 C PRO A 32 11.901 -5.131 10.632 1.00 0.00 C ATOM 518 O PRO A 32 11.631 -5.690 11.695 1.00 0.00 O ATOM 519 CB PRO A 32 13.827 -6.104 9.343 1.00 0.00 C ATOM 520 CG PRO A 32 14.290 -5.093 8.351 1.00 0.00 C ATOM 521 CD PRO A 32 13.176 -4.952 7.353 1.00 0.00 C ATOM 0 HA PRO A 32 11.769 -6.885 9.492 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.280 -5.934 10.320 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.102 -7.113 9.035 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.503 -4.140 8.835 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.211 -5.416 7.865 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.143 -3.951 6.924 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.286 -5.651 6.524 1.00 0.00 H new ATOM 529 N ALA A 33 11.858 -3.812 10.477 1.00 0.00 N ATOM 530 CA ALA A 33 11.485 -2.925 11.571 1.00 0.00 C ATOM 531 C ALA A 33 9.971 -2.881 11.751 1.00 0.00 C ATOM 532 O ALA A 33 9.474 -2.598 12.841 1.00 0.00 O ATOM 533 CB ALA A 33 12.030 -1.526 11.325 1.00 0.00 C ATOM 0 H ALA A 33 12.077 -3.334 9.603 1.00 0.00 H new ATOM 0 HA ALA A 33 11.922 -3.317 12.489 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.744 -0.874 12.150 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.117 -1.566 11.254 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.620 -1.134 10.394 1.00 0.00 H new ATOM 539 N ALA A 34 9.240 -3.162 10.675 1.00 0.00 N ATOM 540 CA ALA A 34 7.783 -3.152 10.720 1.00 0.00 C ATOM 541 C ALA A 34 7.256 -4.237 11.651 1.00 0.00 C ATOM 542 O ALA A 34 6.211 -4.073 12.283 1.00 0.00 O ATOM 543 CB ALA A 34 7.210 -3.330 9.322 1.00 0.00 C ATOM 0 H ALA A 34 9.633 -3.399 9.764 1.00 0.00 H new ATOM 0 HA ALA A 34 7.463 -2.186 11.111 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.121 -3.321 9.371 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.551 -2.516 8.682 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.546 -4.281 8.909 1.00 0.00 H new ATOM 549 N LEU A 35 7.984 -5.345 11.733 1.00 0.00 N ATOM 550 CA LEU A 35 7.589 -6.457 12.592 1.00 0.00 C ATOM 551 C LEU A 35 7.498 -6.012 14.047 1.00 0.00 C ATOM 552 O LEU A 35 6.692 -6.533 14.817 1.00 0.00 O ATOM 553 CB LEU A 35 8.583 -7.613 12.459 1.00 0.00 C ATOM 554 CG LEU A 35 9.072 -7.894 11.035 1.00 0.00 C ATOM 555 CD1 LEU A 35 9.871 -9.187 10.992 1.00 0.00 C ATOM 556 CD2 LEU A 35 7.898 -7.959 10.069 1.00 0.00 C ATOM 0 H LEU A 35 8.850 -5.498 11.216 1.00 0.00 H new ATOM 0 HA LEU A 35 6.604 -6.798 12.273 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.448 -7.401 13.088 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.118 -8.517 12.851 1.00 0.00 H new ATOM 0 HG LEU A 35 9.724 -7.076 10.728 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.211 -9.371 9.973 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.734 -9.104 11.653 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.242 -10.015 11.320 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.266 -8.159 9.063 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.220 -8.757 10.373 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.366 -7.008 10.078 1.00 0.00 H new ATOM 568 N LYS A 36 8.328 -5.043 14.415 1.00 0.00 N ATOM 569 CA LYS A 36 8.342 -4.524 15.777 1.00 0.00 C ATOM 570 C LYS A 36 7.319 -3.404 15.943 1.00 0.00 C ATOM 571 O LYS A 36 6.824 -3.162 17.044 1.00 0.00 O ATOM 572 CB LYS A 36 9.738 -4.012 16.137 1.00 0.00 C ATOM 573 CG LYS A 36 10.740 -5.121 16.415 1.00 0.00 C ATOM 574 CD LYS A 36 12.146 -4.717 16.002 1.00 0.00 C ATOM 575 CE LYS A 36 13.186 -5.254 16.972 1.00 0.00 C ATOM 576 NZ LYS A 36 12.953 -6.687 17.301 1.00 0.00 N ATOM 0 H LYS A 36 9.001 -4.601 13.789 1.00 0.00 H new ATOM 0 HA LYS A 36 8.076 -5.338 16.451 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.111 -3.393 15.321 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.665 -3.371 17.015 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.728 -5.366 17.477 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.446 -6.022 15.876 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.354 -5.091 15.000 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.215 -3.630 15.957 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.180 -5.138 16.539 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.167 -4.664 17.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.853 -7.131 17.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.278 -6.757 18.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.565 -7.176 16.469 1.00 0.00 H new ATOM 590 N ASP A 37 7.006 -2.723 14.844 1.00 0.00 N ATOM 591 CA ASP A 37 6.042 -1.631 14.872 1.00 0.00 C ATOM 592 C ASP A 37 4.626 -2.158 15.079 1.00 0.00 C ATOM 593 O ASP A 37 4.286 -3.249 14.621 1.00 0.00 O ATOM 594 CB ASP A 37 6.114 -0.825 13.574 1.00 0.00 C ATOM 595 CG ASP A 37 5.913 0.660 13.803 1.00 0.00 C ATOM 596 OD1 ASP A 37 4.769 1.067 14.096 1.00 0.00 O ATOM 597 OD2 ASP A 37 6.900 1.417 13.690 1.00 0.00 O ATOM 0 H ASP A 37 7.406 -2.909 13.925 1.00 0.00 H new ATOM 0 HA ASP A 37 6.294 -0.981 15.710 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.082 -0.989 13.101 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.355 -1.189 12.881 1.00 0.00 H new ATOM 602 N ARG A 38 3.805 -1.376 15.772 1.00 0.00 N ATOM 603 CA ARG A 38 2.425 -1.763 16.041 1.00 0.00 C ATOM 604 C ARG A 38 1.570 -1.654 14.782 1.00 0.00 C ATOM 605 O ARG A 38 0.576 -2.366 14.633 1.00 0.00 O ATOM 606 CB ARG A 38 1.836 -0.887 17.149 1.00 0.00 C ATOM 607 CG ARG A 38 2.634 -0.920 18.442 1.00 0.00 C ATOM 608 CD ARG A 38 2.664 -2.317 19.042 1.00 0.00 C ATOM 609 NE ARG A 38 3.820 -3.085 18.584 1.00 0.00 N ATOM 610 CZ ARG A 38 4.278 -4.173 19.200 1.00 0.00 C ATOM 611 NH1 ARG A 38 3.681 -4.624 20.296 1.00 0.00 N ATOM 612 NH2 ARG A 38 5.334 -4.812 18.717 1.00 0.00 N ATOM 0 H ARG A 38 4.072 -0.470 16.158 1.00 0.00 H new ATOM 0 HA ARG A 38 2.424 -2.803 16.368 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.778 0.142 16.794 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.816 -1.212 17.353 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.653 -0.583 18.251 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.197 -0.224 19.158 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.685 -2.244 20.129 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.749 -2.846 18.776 1.00 0.00 H new ATOM 0 HE ARG A 38 4.304 -2.769 17.744 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.867 -4.137 20.671 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.036 -5.458 20.764 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.795 -4.470 17.874 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.685 -5.645 19.188 1.00 0.00 H new ATOM 626 N ARG A 39 1.959 -0.757 13.880 1.00 0.00 N ATOM 627 CA ARG A 39 1.224 -0.556 12.636 1.00 0.00 C ATOM 628 C ARG A 39 1.122 -1.856 11.844 1.00 0.00 C ATOM 629 O ARG A 39 0.048 -2.218 11.362 1.00 0.00 O ATOM 630 CB ARG A 39 1.903 0.520 11.785 1.00 0.00 C ATOM 631 CG ARG A 39 1.100 0.916 10.555 1.00 0.00 C ATOM 632 CD ARG A 39 1.928 0.806 9.285 1.00 0.00 C ATOM 633 NE ARG A 39 2.508 -0.525 9.122 1.00 0.00 N ATOM 634 CZ ARG A 39 2.917 -1.019 7.954 1.00 0.00 C ATOM 635 NH1 ARG A 39 2.810 -0.298 6.845 1.00 0.00 N ATOM 636 NH2 ARG A 39 3.433 -2.239 7.897 1.00 0.00 N ATOM 0 H ARG A 39 2.778 -0.159 13.988 1.00 0.00 H new ATOM 0 HA ARG A 39 0.216 -0.228 12.890 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.072 1.405 12.399 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.882 0.159 11.470 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.221 0.277 10.473 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.741 1.939 10.668 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.302 1.036 8.423 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.726 1.549 9.307 1.00 0.00 H new ATOM 0 HE ARG A 39 2.606 -1.111 9.951 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.413 0.641 6.883 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.125 -0.682 5.954 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.516 -2.798 8.746 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.747 -2.619 7.004 1.00 0.00 H new ATOM 650 N MET A 40 2.245 -2.554 11.712 1.00 0.00 N ATOM 651 CA MET A 40 2.280 -3.813 10.977 1.00 0.00 C ATOM 652 C MET A 40 1.315 -4.825 11.584 1.00 0.00 C ATOM 653 O MET A 40 0.765 -5.673 10.880 1.00 0.00 O ATOM 654 CB MET A 40 3.699 -4.384 10.967 1.00 0.00 C ATOM 655 CG MET A 40 3.825 -5.686 10.190 1.00 0.00 C ATOM 656 SD MET A 40 5.013 -5.579 8.837 1.00 0.00 S ATOM 657 CE MET A 40 3.913 -5.460 7.428 1.00 0.00 C ATOM 0 H MET A 40 3.143 -2.269 12.104 1.00 0.00 H new ATOM 0 HA MET A 40 1.970 -3.614 9.951 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.376 -3.646 10.536 1.00 0.00 H new ATOM 0 HB3 MET A 40 4.022 -4.551 11.995 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.127 -6.482 10.870 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.849 -5.961 9.790 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.003 -6.359 6.819 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.885 -5.359 7.776 1.00 0.00 H new ATOM 0 HE3 MET A 40 4.180 -4.589 6.830 1.00 0.00 H new ATOM 667 N GLU A 41 1.106 -4.727 12.893 1.00 0.00 N ATOM 668 CA GLU A 41 0.202 -5.632 13.592 1.00 0.00 C ATOM 669 C GLU A 41 -1.198 -5.564 12.989 1.00 0.00 C ATOM 670 O GLU A 41 -1.935 -6.551 12.991 1.00 0.00 O ATOM 671 CB GLU A 41 0.147 -5.286 15.081 1.00 0.00 C ATOM 672 CG GLU A 41 -0.537 -6.346 15.927 1.00 0.00 C ATOM 673 CD GLU A 41 -1.988 -6.014 16.216 1.00 0.00 C ATOM 674 OE1 GLU A 41 -2.772 -5.891 15.252 1.00 0.00 O ATOM 675 OE2 GLU A 41 -2.340 -5.875 17.406 1.00 0.00 O ATOM 0 H GLU A 41 1.550 -4.030 13.491 1.00 0.00 H new ATOM 0 HA GLU A 41 0.582 -6.648 13.480 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.162 -5.139 15.449 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.378 -4.339 15.206 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.483 -7.306 15.414 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.001 -6.457 16.868 1.00 0.00 H new ATOM 682 N ASN A 42 -1.555 -4.393 12.471 1.00 0.00 N ATOM 683 CA ASN A 42 -2.863 -4.193 11.861 1.00 0.00 C ATOM 684 C ASN A 42 -2.888 -4.747 10.440 1.00 0.00 C ATOM 685 O ASN A 42 -3.924 -5.208 9.962 1.00 0.00 O ATOM 686 CB ASN A 42 -3.223 -2.706 11.849 1.00 0.00 C ATOM 687 CG ASN A 42 -4.719 -2.472 11.892 1.00 0.00 C ATOM 688 OD1 ASN A 42 -5.401 -2.911 12.820 1.00 0.00 O ATOM 689 ND2 ASN A 42 -5.240 -1.778 10.887 1.00 0.00 N ATOM 0 H ASN A 42 -0.955 -3.568 12.462 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.601 -4.731 12.456 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.757 -2.216 12.704 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.811 -2.243 10.952 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.242 -1.590 10.863 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.638 -1.433 10.139 1.00 0.00 H new ATOM 696 N LEU A 43 -1.741 -4.695 9.770 1.00 0.00 N ATOM 697 CA LEU A 43 -1.633 -5.192 8.403 1.00 0.00 C ATOM 698 C LEU A 43 -2.019 -6.666 8.326 1.00 0.00 C ATOM 699 O LEU A 43 -2.712 -7.090 7.402 1.00 0.00 O ATOM 700 CB LEU A 43 -0.208 -4.993 7.877 1.00 0.00 C ATOM 701 CG LEU A 43 -0.109 -4.212 6.565 1.00 0.00 C ATOM 702 CD1 LEU A 43 1.171 -3.392 6.528 1.00 0.00 C ATOM 703 CD2 LEU A 43 -0.172 -5.160 5.377 1.00 0.00 C ATOM 0 H LEU A 43 -0.875 -4.314 10.151 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.324 -4.624 7.780 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.375 -4.473 8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.252 -5.971 7.736 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.956 -3.528 6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.224 -2.843 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.176 -2.688 7.360 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.031 -4.056 6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.100 -4.589 4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.655 -5.867 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.116 -5.704 5.395 1.00 0.00 H new ATOM 715 N VAL A 44 -1.566 -7.442 9.306 1.00 0.00 N ATOM 716 CA VAL A 44 -1.865 -8.868 9.351 1.00 0.00 C ATOM 717 C VAL A 44 -3.370 -9.108 9.420 1.00 0.00 C ATOM 718 O VAL A 44 -3.944 -9.768 8.554 1.00 0.00 O ATOM 719 CB VAL A 44 -1.191 -9.547 10.559 1.00 0.00 C ATOM 720 CG1 VAL A 44 -1.402 -11.052 10.514 1.00 0.00 C ATOM 721 CG2 VAL A 44 0.292 -9.210 10.602 1.00 0.00 C ATOM 0 H VAL A 44 -0.991 -7.107 10.079 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.470 -9.305 8.434 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.653 -9.167 11.470 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.919 -11.513 11.375 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.470 -11.271 10.537 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.969 -11.453 9.597 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.751 -9.698 11.462 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.771 -9.559 9.687 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.418 -8.131 10.688 1.00 0.00 H new ATOM 731 N ALA A 45 -4.002 -8.568 10.457 1.00 0.00 N ATOM 732 CA ALA A 45 -5.440 -8.720 10.639 1.00 0.00 C ATOM 733 C ALA A 45 -6.208 -8.146 9.453 1.00 0.00 C ATOM 734 O ALA A 45 -7.177 -8.741 8.982 1.00 0.00 O ATOM 735 CB ALA A 45 -5.881 -8.050 11.931 1.00 0.00 C ATOM 0 H ALA A 45 -3.540 -8.021 11.184 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.663 -9.785 10.700 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.957 -8.171 12.055 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.365 -8.510 12.774 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.637 -6.988 11.892 1.00 0.00 H new ATOM 741 N TYR A 46 -5.766 -6.987 8.975 1.00 0.00 N ATOM 742 CA TYR A 46 -6.411 -6.334 7.842 1.00 0.00 C ATOM 743 C TYR A 46 -6.361 -7.221 6.602 1.00 0.00 C ATOM 744 O TYR A 46 -7.388 -7.492 5.979 1.00 0.00 O ATOM 745 CB TYR A 46 -5.737 -4.991 7.552 1.00 0.00 C ATOM 746 CG TYR A 46 -6.354 -4.240 6.392 1.00 0.00 C ATOM 747 CD1 TYR A 46 -5.928 -4.465 5.089 1.00 0.00 C ATOM 748 CD2 TYR A 46 -7.362 -3.307 6.601 1.00 0.00 C ATOM 749 CE1 TYR A 46 -6.489 -3.782 4.027 1.00 0.00 C ATOM 750 CE2 TYR A 46 -7.928 -2.620 5.544 1.00 0.00 C ATOM 751 CZ TYR A 46 -7.488 -2.860 4.260 1.00 0.00 C ATOM 752 OH TYR A 46 -8.049 -2.178 3.205 1.00 0.00 O ATOM 0 H TYR A 46 -4.965 -6.482 9.354 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.456 -6.161 8.099 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.788 -4.368 8.445 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.681 -5.162 7.343 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.145 -5.186 4.903 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.709 -3.116 7.606 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.147 -3.969 3.020 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.711 -1.898 5.723 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.738 -1.567 3.540 1.00 0.00 H new ATOM 762 N ALA A 47 -5.163 -7.670 6.250 1.00 0.00 N ATOM 763 CA ALA A 47 -4.980 -8.528 5.086 1.00 0.00 C ATOM 764 C ALA A 47 -5.728 -9.846 5.252 1.00 0.00 C ATOM 765 O ALA A 47 -6.138 -10.465 4.271 1.00 0.00 O ATOM 766 CB ALA A 47 -3.499 -8.785 4.848 1.00 0.00 C ATOM 0 H ALA A 47 -4.303 -7.454 6.754 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.393 -8.014 4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.377 -9.427 3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.988 -7.838 4.676 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.070 -9.275 5.722 1.00 0.00 H new ATOM 772 N LYS A 48 -5.901 -10.272 6.500 1.00 0.00 N ATOM 773 CA LYS A 48 -6.597 -11.518 6.794 1.00 0.00 C ATOM 774 C LYS A 48 -8.090 -11.395 6.504 1.00 0.00 C ATOM 775 O LYS A 48 -8.723 -12.347 6.048 1.00 0.00 O ATOM 776 CB LYS A 48 -6.383 -11.913 8.256 1.00 0.00 C ATOM 777 CG LYS A 48 -5.143 -12.763 8.481 1.00 0.00 C ATOM 778 CD LYS A 48 -5.107 -13.334 9.890 1.00 0.00 C ATOM 779 CE LYS A 48 -5.609 -14.768 9.923 1.00 0.00 C ATOM 780 NZ LYS A 48 -7.042 -14.847 10.319 1.00 0.00 N ATOM 0 H LYS A 48 -5.568 -9.771 7.324 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.184 -12.293 6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.308 -11.009 8.861 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.257 -12.461 8.608 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.122 -13.577 7.757 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.251 -12.160 8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.087 -13.295 10.273 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.719 -12.718 10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.479 -15.221 8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.007 -15.347 10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.340 -15.843 10.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.166 -14.423 11.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.622 -14.330 9.628 1.00 0.00 H new ATOM 794 N LYS A 49 -8.648 -10.220 6.773 1.00 0.00 N ATOM 795 CA LYS A 49 -10.067 -9.977 6.540 1.00 0.00 C ATOM 796 C LYS A 49 -10.336 -9.664 5.070 1.00 0.00 C ATOM 797 O LYS A 49 -11.380 -10.028 4.531 1.00 0.00 O ATOM 798 CB LYS A 49 -10.563 -8.828 7.420 1.00 0.00 C ATOM 799 CG LYS A 49 -9.836 -7.516 7.177 1.00 0.00 C ATOM 800 CD LYS A 49 -10.620 -6.334 7.725 1.00 0.00 C ATOM 801 CE LYS A 49 -10.353 -5.070 6.925 1.00 0.00 C ATOM 802 NZ LYS A 49 -11.571 -4.220 6.806 1.00 0.00 N ATOM 0 H LYS A 49 -8.140 -9.421 7.152 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.610 -10.885 6.802 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.629 -8.681 7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.449 -9.108 8.467 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.853 -7.551 7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.673 -7.382 6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.686 -6.561 7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.350 -6.169 8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.557 -4.499 7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.999 -5.338 5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.347 -3.368 6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.323 -4.756 6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.895 -3.942 7.755 1.00 0.00 H new ATOM 816 N VAL A 50 -9.388 -8.986 4.430 1.00 0.00 N ATOM 817 CA VAL A 50 -9.529 -8.625 3.024 1.00 0.00 C ATOM 818 C VAL A 50 -9.300 -9.829 2.118 1.00 0.00 C ATOM 819 O VAL A 50 -10.085 -10.083 1.205 1.00 0.00 O ATOM 820 CB VAL A 50 -8.549 -7.503 2.628 1.00 0.00 C ATOM 821 CG1 VAL A 50 -8.831 -7.021 1.212 1.00 0.00 C ATOM 822 CG2 VAL A 50 -8.627 -6.348 3.619 1.00 0.00 C ATOM 0 H VAL A 50 -8.517 -8.677 4.861 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.550 -8.267 2.894 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.536 -7.906 2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.129 -6.229 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.717 -7.852 0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.849 -6.637 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.928 -5.566 3.322 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.640 -5.945 3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.369 -6.706 4.616 1.00 0.00 H new ATOM 832 N GLU A 51 -8.225 -10.573 2.372 1.00 0.00 N ATOM 833 CA GLU A 51 -7.912 -11.753 1.571 1.00 0.00 C ATOM 834 C GLU A 51 -9.144 -12.638 1.433 1.00 0.00 C ATOM 835 O GLU A 51 -9.485 -13.078 0.333 1.00 0.00 O ATOM 836 CB GLU A 51 -6.762 -12.542 2.198 1.00 0.00 C ATOM 837 CG GLU A 51 -7.027 -12.973 3.631 1.00 0.00 C ATOM 838 CD GLU A 51 -7.684 -14.337 3.720 1.00 0.00 C ATOM 839 OE1 GLU A 51 -8.116 -14.859 2.670 1.00 0.00 O ATOM 840 OE2 GLU A 51 -7.766 -14.884 4.840 1.00 0.00 O ATOM 0 H GLU A 51 -7.560 -10.381 3.121 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.602 -11.423 0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.567 -13.427 1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.859 -11.933 2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.086 -12.991 4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.665 -12.234 4.116 1.00 0.00 H new ATOM 847 N GLY A 52 -9.825 -12.872 2.549 1.00 0.00 N ATOM 848 CA GLY A 52 -11.030 -13.676 2.519 1.00 0.00 C ATOM 849 C GLY A 52 -12.094 -13.023 1.665 1.00 0.00 C ATOM 850 O GLY A 52 -12.904 -13.701 1.030 1.00 0.00 O ATOM 0 H GLY A 52 -9.565 -12.520 3.470 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.801 -14.667 2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.406 -13.813 3.533 1.00 0.00 H new ATOM 854 N ASP A 53 -12.075 -11.692 1.639 1.00 0.00 N ATOM 855 CA ASP A 53 -13.023 -10.923 0.847 1.00 0.00 C ATOM 856 C ASP A 53 -12.607 -10.922 -0.620 1.00 0.00 C ATOM 857 O ASP A 53 -13.446 -10.824 -1.517 1.00 0.00 O ATOM 858 CB ASP A 53 -13.110 -9.487 1.368 1.00 0.00 C ATOM 859 CG ASP A 53 -14.151 -8.667 0.633 1.00 0.00 C ATOM 860 OD1 ASP A 53 -15.243 -9.206 0.353 1.00 0.00 O ATOM 861 OD2 ASP A 53 -13.876 -7.485 0.335 1.00 0.00 O ATOM 0 H ASP A 53 -11.408 -11.124 2.162 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.005 -11.388 0.934 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.349 -9.503 2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.136 -9.007 1.267 1.00 0.00 H new ATOM 866 N MET A 54 -11.302 -11.033 -0.854 1.00 0.00 N ATOM 867 CA MET A 54 -10.760 -11.048 -2.207 1.00 0.00 C ATOM 868 C MET A 54 -11.114 -12.350 -2.919 1.00 0.00 C ATOM 869 O MET A 54 -11.595 -12.341 -4.052 1.00 0.00 O ATOM 870 CB MET A 54 -9.240 -10.868 -2.171 1.00 0.00 C ATOM 871 CG MET A 54 -8.731 -9.808 -3.133 1.00 0.00 C ATOM 872 SD MET A 54 -8.453 -8.218 -2.330 1.00 0.00 S ATOM 873 CE MET A 54 -10.104 -7.840 -1.747 1.00 0.00 C ATOM 0 H MET A 54 -10.599 -11.114 -0.120 1.00 0.00 H new ATOM 0 HA MET A 54 -11.204 -10.220 -2.760 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.938 -10.603 -1.158 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.764 -11.820 -2.407 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.800 -10.150 -3.585 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.451 -9.681 -3.942 1.00 0.00 H new ATOM 0 HE1 MET A 54 -10.119 -6.837 -1.322 1.00 0.00 H new ATOM 0 HE2 MET A 54 -10.805 -7.891 -2.580 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.395 -8.562 -0.984 1.00 0.00 H new ATOM 883 N TYR A 55 -10.872 -13.468 -2.242 1.00 0.00 N ATOM 884 CA TYR A 55 -11.162 -14.783 -2.804 1.00 0.00 C ATOM 885 C TYR A 55 -12.646 -14.915 -3.138 1.00 0.00 C ATOM 886 O TYR A 55 -13.007 -15.243 -4.264 1.00 0.00 O ATOM 887 CB TYR A 55 -10.735 -15.878 -1.817 1.00 0.00 C ATOM 888 CG TYR A 55 -11.126 -17.285 -2.229 1.00 0.00 C ATOM 889 CD1 TYR A 55 -12.443 -17.717 -2.126 1.00 0.00 C ATOM 890 CD2 TYR A 55 -10.178 -18.183 -2.710 1.00 0.00 C ATOM 891 CE1 TYR A 55 -12.804 -19.001 -2.490 1.00 0.00 C ATOM 892 CE2 TYR A 55 -10.532 -19.470 -3.075 1.00 0.00 C ATOM 893 CZ TYR A 55 -11.846 -19.872 -2.963 1.00 0.00 C ATOM 894 OH TYR A 55 -12.203 -21.151 -3.325 1.00 0.00 O ATOM 0 H TYR A 55 -10.475 -13.490 -1.303 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.597 -14.899 -3.729 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.653 -15.837 -1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -11.175 -15.663 -0.843 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -13.197 -17.038 -1.755 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.148 -17.870 -2.800 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.832 -19.320 -2.404 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.784 -20.155 -3.445 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.628 -21.135 -4.208 1.00 0.00 H new ATOM 904 N GLU A 56 -13.501 -14.657 -2.154 1.00 0.00 N ATOM 905 CA GLU A 56 -14.948 -14.755 -2.342 1.00 0.00 C ATOM 906 C GLU A 56 -15.425 -13.944 -3.547 1.00 0.00 C ATOM 907 O GLU A 56 -16.304 -14.383 -4.288 1.00 0.00 O ATOM 908 CB GLU A 56 -15.675 -14.292 -1.080 1.00 0.00 C ATOM 909 CG GLU A 56 -16.064 -15.434 -0.155 1.00 0.00 C ATOM 910 CD GLU A 56 -15.698 -15.164 1.291 1.00 0.00 C ATOM 911 OE1 GLU A 56 -14.552 -15.474 1.682 1.00 0.00 O ATOM 912 OE2 GLU A 56 -16.557 -14.645 2.035 1.00 0.00 O ATOM 0 H GLU A 56 -13.218 -14.377 -1.215 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.183 -15.802 -2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.037 -13.595 -0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.573 -13.744 -1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.138 -15.606 -0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.572 -16.348 -0.486 1.00 0.00 H new ATOM 919 N SER A 57 -14.847 -12.760 -3.738 1.00 0.00 N ATOM 920 CA SER A 57 -15.226 -11.892 -4.856 1.00 0.00 C ATOM 921 C SER A 57 -15.296 -12.675 -6.167 1.00 0.00 C ATOM 922 O SER A 57 -16.064 -12.336 -7.068 1.00 0.00 O ATOM 923 CB SER A 57 -14.229 -10.740 -4.992 1.00 0.00 C ATOM 924 OG SER A 57 -14.550 -9.915 -6.099 1.00 0.00 O ATOM 0 H SER A 57 -14.117 -12.379 -3.137 1.00 0.00 H new ATOM 0 HA SER A 57 -16.217 -11.489 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.230 -10.145 -4.079 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.222 -11.139 -5.112 1.00 0.00 H new ATOM 0 HG SER A 57 -13.899 -9.186 -6.163 1.00 0.00 H new ATOM 930 N ALA A 58 -14.487 -13.723 -6.260 1.00 0.00 N ATOM 931 CA ALA A 58 -14.442 -14.568 -7.448 1.00 0.00 C ATOM 932 C ALA A 58 -15.384 -15.744 -7.332 1.00 0.00 C ATOM 933 O ALA A 58 -15.414 -16.430 -6.319 1.00 0.00 O ATOM 934 CB ALA A 58 -13.022 -15.073 -7.675 1.00 0.00 C ATOM 0 H ALA A 58 -13.847 -14.010 -5.519 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.759 -13.962 -8.297 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.998 -15.703 -8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.352 -14.225 -7.813 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.700 -15.653 -6.810 1.00 0.00 H new ATOM 940 N ASN A 59 -16.109 -16.009 -8.404 1.00 0.00 N ATOM 941 CA ASN A 59 -16.984 -17.161 -8.437 1.00 0.00 C ATOM 942 C ASN A 59 -16.208 -18.296 -9.083 1.00 0.00 C ATOM 943 O ASN A 59 -16.703 -19.409 -9.240 1.00 0.00 O ATOM 944 CB ASN A 59 -18.271 -16.886 -9.217 1.00 0.00 C ATOM 945 CG ASN A 59 -18.002 -16.391 -10.624 1.00 0.00 C ATOM 946 OD1 ASN A 59 -18.088 -15.195 -10.901 1.00 0.00 O ATOM 947 ND2 ASN A 59 -17.676 -17.313 -11.523 1.00 0.00 N ATOM 0 H ASN A 59 -16.108 -15.446 -9.255 1.00 0.00 H new ATOM 0 HA ASN A 59 -17.289 -17.415 -7.422 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -18.866 -17.798 -9.264 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.865 -16.145 -8.682 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.485 -17.040 -12.487 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.616 -18.294 -11.249 1.00 0.00 H new ATOM 954 N SER A 60 -14.963 -17.982 -9.453 1.00 0.00 N ATOM 955 CA SER A 60 -14.076 -18.952 -10.083 1.00 0.00 C ATOM 956 C SER A 60 -12.623 -18.636 -9.749 1.00 0.00 C ATOM 957 O SER A 60 -12.333 -17.626 -9.108 1.00 0.00 O ATOM 958 CB SER A 60 -14.278 -18.951 -11.600 1.00 0.00 C ATOM 959 OG SER A 60 -14.146 -20.258 -12.132 1.00 0.00 O ATOM 0 H SER A 60 -14.550 -17.058 -9.324 1.00 0.00 H new ATOM 0 HA SER A 60 -14.317 -19.943 -9.698 1.00 0.00 H new ATOM 0 HB2 SER A 60 -15.265 -18.556 -11.838 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.548 -18.289 -12.067 1.00 0.00 H new ATOM 0 HG SER A 60 -14.261 -20.916 -11.415 1.00 0.00 H new ATOM 965 N ARG A 61 -11.713 -19.500 -10.182 1.00 0.00 N ATOM 966 CA ARG A 61 -10.294 -19.298 -9.919 1.00 0.00 C ATOM 967 C ARG A 61 -9.737 -18.164 -10.774 1.00 0.00 C ATOM 968 O ARG A 61 -8.993 -17.314 -10.285 1.00 0.00 O ATOM 969 CB ARG A 61 -9.510 -20.583 -10.187 1.00 0.00 C ATOM 970 CG ARG A 61 -8.156 -20.618 -9.496 1.00 0.00 C ATOM 971 CD ARG A 61 -7.014 -20.669 -10.499 1.00 0.00 C ATOM 972 NE ARG A 61 -6.885 -19.420 -11.246 1.00 0.00 N ATOM 973 CZ ARG A 61 -6.252 -19.316 -12.413 1.00 0.00 C ATOM 974 NH1 ARG A 61 -5.687 -20.382 -12.967 1.00 0.00 N ATOM 975 NH2 ARG A 61 -6.183 -18.143 -13.027 1.00 0.00 N ATOM 0 H ARG A 61 -11.931 -20.343 -10.714 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.184 -19.028 -8.869 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.101 -21.437 -9.856 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.365 -20.694 -11.262 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.047 -19.736 -8.865 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.104 -21.488 -8.841 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.081 -20.876 -9.975 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.179 -21.492 -11.194 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.304 -18.578 -10.851 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.736 -21.287 -12.499 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.204 -20.296 -13.861 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.615 -17.321 -12.606 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.698 -18.063 -13.921 1.00 0.00 H new ATOM 989 N ASP A 62 -10.101 -18.158 -12.052 1.00 0.00 N ATOM 990 CA ASP A 62 -9.637 -17.130 -12.977 1.00 0.00 C ATOM 991 C ASP A 62 -10.030 -15.739 -12.490 1.00 0.00 C ATOM 992 O ASP A 62 -9.199 -14.832 -12.435 1.00 0.00 O ATOM 993 CB ASP A 62 -10.209 -17.376 -14.373 1.00 0.00 C ATOM 994 CG ASP A 62 -9.229 -17.013 -15.472 1.00 0.00 C ATOM 995 OD1 ASP A 62 -8.264 -17.778 -15.683 1.00 0.00 O ATOM 996 OD2 ASP A 62 -9.426 -15.965 -16.122 1.00 0.00 O ATOM 0 H ASP A 62 -10.717 -18.855 -12.471 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.549 -17.183 -13.023 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.486 -18.426 -14.469 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.122 -16.793 -14.497 1.00 0.00 H new ATOM 1001 N GLU A 63 -11.302 -15.578 -12.138 1.00 0.00 N ATOM 1002 CA GLU A 63 -11.805 -14.297 -11.657 1.00 0.00 C ATOM 1003 C GLU A 63 -11.053 -13.850 -10.408 1.00 0.00 C ATOM 1004 O GLU A 63 -10.892 -12.654 -10.163 1.00 0.00 O ATOM 1005 CB GLU A 63 -13.302 -14.393 -11.359 1.00 0.00 C ATOM 1006 CG GLU A 63 -13.920 -13.079 -10.911 1.00 0.00 C ATOM 1007 CD GLU A 63 -14.502 -12.286 -12.065 1.00 0.00 C ATOM 1008 OE1 GLU A 63 -15.506 -12.743 -12.651 1.00 0.00 O ATOM 1009 OE2 GLU A 63 -13.955 -11.208 -12.380 1.00 0.00 O ATOM 0 H GLU A 63 -12.002 -16.319 -12.177 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.644 -13.555 -12.439 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.820 -14.742 -12.252 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.462 -15.143 -10.584 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.704 -13.281 -10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.163 -12.478 -10.407 1.00 0.00 H new ATOM 1016 N TYR A 64 -10.595 -14.817 -9.620 1.00 0.00 N ATOM 1017 CA TYR A 64 -9.861 -14.523 -8.395 1.00 0.00 C ATOM 1018 C TYR A 64 -8.472 -13.975 -8.711 1.00 0.00 C ATOM 1019 O TYR A 64 -7.931 -13.161 -7.963 1.00 0.00 O ATOM 1020 CB TYR A 64 -9.743 -15.782 -7.532 1.00 0.00 C ATOM 1021 CG TYR A 64 -8.964 -15.576 -6.250 1.00 0.00 C ATOM 1022 CD1 TYR A 64 -9.011 -14.366 -5.569 1.00 0.00 C ATOM 1023 CD2 TYR A 64 -8.180 -16.594 -5.722 1.00 0.00 C ATOM 1024 CE1 TYR A 64 -8.299 -14.176 -4.400 1.00 0.00 C ATOM 1025 CE2 TYR A 64 -7.466 -16.413 -4.553 1.00 0.00 C ATOM 1026 CZ TYR A 64 -7.528 -15.203 -3.896 1.00 0.00 C ATOM 1027 OH TYR A 64 -6.819 -15.018 -2.732 1.00 0.00 O ATOM 0 H TYR A 64 -10.719 -15.812 -9.808 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.414 -13.763 -7.843 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.744 -16.136 -7.285 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.262 -16.567 -8.116 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.614 -13.560 -5.960 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.128 -17.543 -6.234 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.346 -13.229 -3.884 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.862 -17.216 -4.156 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.329 -15.838 -2.513 1.00 0.00 H new ATOM 1037 N TYR A 65 -7.902 -14.428 -9.822 1.00 0.00 N ATOM 1038 CA TYR A 65 -6.575 -13.983 -10.235 1.00 0.00 C ATOM 1039 C TYR A 65 -6.636 -12.595 -10.865 1.00 0.00 C ATOM 1040 O TYR A 65 -5.680 -11.824 -10.785 1.00 0.00 O ATOM 1041 CB TYR A 65 -5.966 -14.982 -11.223 1.00 0.00 C ATOM 1042 CG TYR A 65 -4.580 -15.447 -10.836 1.00 0.00 C ATOM 1043 CD1 TYR A 65 -3.515 -14.557 -10.794 1.00 0.00 C ATOM 1044 CD2 TYR A 65 -4.338 -16.776 -10.513 1.00 0.00 C ATOM 1045 CE1 TYR A 65 -2.247 -14.978 -10.442 1.00 0.00 C ATOM 1046 CE2 TYR A 65 -3.073 -17.205 -10.159 1.00 0.00 C ATOM 1047 CZ TYR A 65 -2.030 -16.301 -10.125 1.00 0.00 C ATOM 1048 OH TYR A 65 -0.770 -16.725 -9.773 1.00 0.00 O ATOM 0 H TYR A 65 -8.337 -15.102 -10.452 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.944 -13.929 -9.348 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.622 -15.849 -11.302 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.924 -14.524 -12.211 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.681 -13.519 -11.041 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.152 -17.486 -10.539 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.429 -14.273 -10.415 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.901 -18.242 -9.910 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.790 -17.685 -9.579 1.00 0.00 H new ATOM 1058 N HIS A 66 -7.766 -12.283 -11.493 1.00 0.00 N ATOM 1059 CA HIS A 66 -7.949 -10.988 -12.139 1.00 0.00 C ATOM 1060 C HIS A 66 -8.194 -9.892 -11.106 1.00 0.00 C ATOM 1061 O HIS A 66 -7.516 -8.865 -11.103 1.00 0.00 O ATOM 1062 CB HIS A 66 -9.117 -11.046 -13.124 1.00 0.00 C ATOM 1063 CG HIS A 66 -8.712 -11.440 -14.510 1.00 0.00 C ATOM 1064 ND1 HIS A 66 -9.366 -12.412 -15.239 1.00 0.00 N ATOM 1065 CD2 HIS A 66 -7.713 -10.986 -15.303 1.00 0.00 C ATOM 1066 CE1 HIS A 66 -8.785 -12.539 -16.419 1.00 0.00 C ATOM 1067 NE2 HIS A 66 -7.781 -11.686 -16.483 1.00 0.00 N ATOM 0 H HIS A 66 -8.568 -12.909 -11.568 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.035 -10.751 -12.683 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.858 -11.756 -12.755 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.601 -10.070 -13.159 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.996 -10.217 -15.054 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -9.082 -13.225 -17.199 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -7.156 -11.566 -17.280 1.00 0.00 H new ATOM 1076 N LEU A 67 -9.168 -10.118 -10.231 1.00 0.00 N ATOM 1077 CA LEU A 67 -9.503 -9.149 -9.193 1.00 0.00 C ATOM 1078 C LEU A 67 -8.298 -8.860 -8.303 1.00 0.00 C ATOM 1079 O LEU A 67 -8.167 -7.764 -7.756 1.00 0.00 O ATOM 1080 CB LEU A 67 -10.668 -9.662 -8.344 1.00 0.00 C ATOM 1081 CG LEU A 67 -10.455 -11.040 -7.715 1.00 0.00 C ATOM 1082 CD1 LEU A 67 -9.677 -10.918 -6.414 1.00 0.00 C ATOM 1083 CD2 LEU A 67 -11.791 -11.728 -7.478 1.00 0.00 C ATOM 0 H LEU A 67 -9.739 -10.963 -10.220 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.799 -8.221 -9.682 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.862 -8.943 -7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.562 -9.698 -8.966 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.872 -11.649 -8.406 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.535 -11.908 -5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.705 -10.466 -6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.232 -10.292 -5.715 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.622 -12.707 -7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.398 -11.122 -6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.312 -11.849 -8.428 1.00 0.00 H new ATOM 1095 N LEU A 68 -7.421 -9.848 -8.162 1.00 0.00 N ATOM 1096 CA LEU A 68 -6.228 -9.697 -7.337 1.00 0.00 C ATOM 1097 C LEU A 68 -5.283 -8.657 -7.931 1.00 0.00 C ATOM 1098 O LEU A 68 -4.741 -7.815 -7.215 1.00 0.00 O ATOM 1099 CB LEU A 68 -5.506 -11.040 -7.196 1.00 0.00 C ATOM 1100 CG LEU A 68 -4.908 -11.311 -5.815 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -5.939 -11.961 -4.905 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -3.672 -12.189 -5.935 1.00 0.00 C ATOM 0 H LEU A 68 -7.514 -10.761 -8.608 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.540 -9.355 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.208 -11.839 -7.435 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.707 -11.085 -7.936 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.613 -10.359 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.495 -12.146 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.797 -11.297 -4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.265 -12.906 -5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.258 -12.373 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.944 -13.138 -6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.927 -11.686 -6.551 1.00 0.00 H new ATOM 1114 N ALA A 69 -5.088 -8.723 -9.243 1.00 0.00 N ATOM 1115 CA ALA A 69 -4.207 -7.787 -9.933 1.00 0.00 C ATOM 1116 C ALA A 69 -4.737 -6.361 -9.838 1.00 0.00 C ATOM 1117 O ALA A 69 -3.982 -5.425 -9.572 1.00 0.00 O ATOM 1118 CB ALA A 69 -4.043 -8.195 -11.389 1.00 0.00 C ATOM 0 H ALA A 69 -5.528 -9.414 -9.850 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.232 -7.817 -9.446 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.383 -7.488 -11.893 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.611 -9.195 -11.440 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.017 -8.195 -11.879 1.00 0.00 H new ATOM 1124 N GLU A 70 -6.039 -6.202 -10.054 1.00 0.00 N ATOM 1125 CA GLU A 70 -6.669 -4.887 -9.991 1.00 0.00 C ATOM 1126 C GLU A 70 -6.460 -4.249 -8.621 1.00 0.00 C ATOM 1127 O GLU A 70 -6.184 -3.054 -8.517 1.00 0.00 O ATOM 1128 CB GLU A 70 -8.165 -5.000 -10.290 1.00 0.00 C ATOM 1129 CG GLU A 70 -8.501 -4.876 -11.767 1.00 0.00 C ATOM 1130 CD GLU A 70 -9.850 -4.227 -12.006 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -10.866 -4.953 -12.009 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -9.891 -2.992 -12.189 1.00 0.00 O ATOM 0 H GLU A 70 -6.678 -6.966 -10.274 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.202 -4.252 -10.744 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.529 -5.959 -9.922 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.697 -4.225 -9.739 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.727 -4.291 -12.264 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.493 -5.866 -12.222 1.00 0.00 H new ATOM 1139 N LYS A 71 -6.590 -5.054 -7.571 1.00 0.00 N ATOM 1140 CA LYS A 71 -6.413 -4.567 -6.208 1.00 0.00 C ATOM 1141 C LYS A 71 -4.967 -4.149 -5.967 1.00 0.00 C ATOM 1142 O LYS A 71 -4.695 -3.013 -5.579 1.00 0.00 O ATOM 1143 CB LYS A 71 -6.822 -5.644 -5.202 1.00 0.00 C ATOM 1144 CG LYS A 71 -8.286 -5.579 -4.802 1.00 0.00 C ATOM 1145 CD LYS A 71 -8.527 -4.521 -3.738 1.00 0.00 C ATOM 1146 CE LYS A 71 -8.194 -5.042 -2.350 1.00 0.00 C ATOM 1147 NZ LYS A 71 -7.863 -3.938 -1.406 1.00 0.00 N ATOM 0 H LYS A 71 -6.817 -6.046 -7.638 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.052 -3.695 -6.072 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.614 -6.625 -5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.205 -5.547 -4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.894 -5.359 -5.679 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.605 -6.552 -4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.920 -3.642 -3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.569 -4.204 -3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.040 -5.609 -1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.351 -5.730 -2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.902 -4.076 -1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.913 -3.027 -1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.542 -3.939 -0.619 1.00 0.00 H new ATOM 1161 N ILE A 72 -4.041 -5.073 -6.205 1.00 0.00 N ATOM 1162 CA ILE A 72 -2.622 -4.797 -6.017 1.00 0.00 C ATOM 1163 C ILE A 72 -2.155 -3.698 -6.966 1.00 0.00 C ATOM 1164 O ILE A 72 -1.254 -2.924 -6.642 1.00 0.00 O ATOM 1165 CB ILE A 72 -1.767 -6.059 -6.247 1.00 0.00 C ATOM 1166 CG1 ILE A 72 -2.312 -7.230 -5.424 1.00 0.00 C ATOM 1167 CG2 ILE A 72 -0.313 -5.788 -5.892 1.00 0.00 C ATOM 1168 CD1 ILE A 72 -2.304 -8.546 -6.169 1.00 0.00 C ATOM 0 H ILE A 72 -4.248 -6.018 -6.528 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.493 -4.468 -4.986 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.819 -6.325 -7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.719 -7.332 -4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.332 -7.003 -5.115 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.277 -6.689 -6.060 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.070 -4.982 -6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.242 -5.499 -4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.703 -9.331 -5.526 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.921 -8.461 -7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.282 -8.796 -6.455 1.00 0.00 H new ATOM 1180 N TYR A 73 -2.777 -3.638 -8.138 1.00 0.00 N ATOM 1181 CA TYR A 73 -2.433 -2.636 -9.140 1.00 0.00 C ATOM 1182 C TYR A 73 -2.907 -1.251 -8.705 1.00 0.00 C ATOM 1183 O TYR A 73 -2.139 -0.291 -8.708 1.00 0.00 O ATOM 1184 CB TYR A 73 -3.051 -3.013 -10.491 1.00 0.00 C ATOM 1185 CG TYR A 73 -3.051 -1.892 -11.507 1.00 0.00 C ATOM 1186 CD1 TYR A 73 -1.861 -1.363 -11.990 1.00 0.00 C ATOM 1187 CD2 TYR A 73 -4.245 -1.365 -11.984 1.00 0.00 C ATOM 1188 CE1 TYR A 73 -1.860 -0.340 -12.918 1.00 0.00 C ATOM 1189 CE2 TYR A 73 -4.252 -0.342 -12.913 1.00 0.00 C ATOM 1190 CZ TYR A 73 -3.058 0.167 -13.377 1.00 0.00 C ATOM 1191 OH TYR A 73 -3.060 1.186 -14.301 1.00 0.00 O ATOM 0 H TYR A 73 -3.524 -4.273 -8.418 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.348 -2.606 -9.243 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.506 -3.862 -10.903 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.078 -3.342 -10.329 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.921 -1.758 -11.634 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.183 -1.761 -11.623 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.926 0.061 -13.283 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.189 0.057 -13.274 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.984 1.427 -14.520 1.00 0.00 H new ATOM 1201 N LYS A 74 -4.180 -1.158 -8.332 1.00 0.00 N ATOM 1202 CA LYS A 74 -4.758 0.108 -7.896 1.00 0.00 C ATOM 1203 C LYS A 74 -4.086 0.604 -6.619 1.00 0.00 C ATOM 1204 O LYS A 74 -3.727 1.776 -6.510 1.00 0.00 O ATOM 1205 CB LYS A 74 -6.263 -0.046 -7.668 1.00 0.00 C ATOM 1206 CG LYS A 74 -7.063 1.195 -8.027 1.00 0.00 C ATOM 1207 CD LYS A 74 -7.307 2.073 -6.810 1.00 0.00 C ATOM 1208 CE LYS A 74 -6.328 3.235 -6.755 1.00 0.00 C ATOM 1209 NZ LYS A 74 -6.992 4.501 -6.343 1.00 0.00 N ATOM 0 H LYS A 74 -4.830 -1.944 -8.323 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.590 0.844 -8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.627 -0.886 -8.259 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.440 -0.292 -6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.530 1.766 -8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.018 0.900 -8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.327 2.456 -6.835 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.214 1.474 -5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.526 3.001 -6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.868 3.368 -7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.291 5.269 -6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.741 4.738 -7.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.410 4.382 -5.398 1.00 0.00 H new ATOM 1223 N ILE A 75 -3.917 -0.295 -5.656 1.00 0.00 N ATOM 1224 CA ILE A 75 -3.288 0.052 -4.387 1.00 0.00 C ATOM 1225 C ILE A 75 -1.813 0.392 -4.582 1.00 0.00 C ATOM 1226 O ILE A 75 -1.256 1.220 -3.862 1.00 0.00 O ATOM 1227 CB ILE A 75 -3.412 -1.093 -3.362 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -4.869 -1.544 -3.240 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -2.873 -0.657 -2.007 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -5.021 -3.000 -2.857 1.00 0.00 C ATOM 0 H ILE A 75 -4.207 -1.270 -5.730 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.813 0.927 -4.002 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.817 -1.937 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.371 -0.926 -2.495 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.375 -1.372 -4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.969 -1.478 -1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.823 -0.382 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.441 0.201 -1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.080 -3.250 -2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.548 -3.626 -3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.544 -3.174 -1.892 1.00 0.00 H new ATOM 1242 N GLN A 76 -1.188 -0.252 -5.562 1.00 0.00 N ATOM 1243 CA GLN A 76 0.223 -0.017 -5.852 1.00 0.00 C ATOM 1244 C GLN A 76 0.469 1.447 -6.205 1.00 0.00 C ATOM 1245 O GLN A 76 1.335 2.099 -5.621 1.00 0.00 O ATOM 1246 CB GLN A 76 0.686 -0.918 -6.999 1.00 0.00 C ATOM 1247 CG GLN A 76 1.385 -2.185 -6.533 1.00 0.00 C ATOM 1248 CD GLN A 76 2.895 -2.083 -6.619 1.00 0.00 C ATOM 1249 OE1 GLN A 76 3.458 -0.989 -6.575 1.00 0.00 O ATOM 1250 NE2 GLN A 76 3.559 -3.227 -6.742 1.00 0.00 N ATOM 0 H GLN A 76 -1.635 -0.940 -6.168 1.00 0.00 H new ATOM 0 HA GLN A 76 0.798 -0.257 -4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.177 -1.191 -7.606 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.363 -0.355 -7.642 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.097 -2.397 -5.503 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.046 -3.026 -7.138 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.051 -4.111 -6.774 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.577 -3.222 -6.804 1.00 0.00 H new ATOM 1259 N LYS A 77 -0.296 1.956 -7.163 1.00 0.00 N ATOM 1260 CA LYS A 77 -0.161 3.343 -7.594 1.00 0.00 C ATOM 1261 C LYS A 77 -0.506 4.301 -6.458 1.00 0.00 C ATOM 1262 O LYS A 77 0.044 5.399 -6.371 1.00 0.00 O ATOM 1263 CB LYS A 77 -1.063 3.616 -8.799 1.00 0.00 C ATOM 1264 CG LYS A 77 -0.414 3.280 -10.132 1.00 0.00 C ATOM 1265 CD LYS A 77 -1.456 3.034 -11.212 1.00 0.00 C ATOM 1266 CE LYS A 77 -0.869 3.211 -12.603 1.00 0.00 C ATOM 1267 NZ LYS A 77 -1.015 4.610 -13.094 1.00 0.00 N ATOM 0 H LYS A 77 -1.017 1.429 -7.657 1.00 0.00 H new ATOM 0 HA LYS A 77 0.877 3.508 -7.882 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.980 3.037 -8.695 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.348 4.668 -8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.240 4.097 -10.436 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.212 2.395 -10.020 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.856 2.025 -11.110 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.290 3.722 -11.078 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.187 2.940 -12.589 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.364 2.530 -13.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.602 4.689 -14.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.024 4.861 -13.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.521 5.258 -12.448 1.00 0.00 H new ATOM 1281 N GLU A 78 -1.421 3.879 -5.591 1.00 0.00 N ATOM 1282 CA GLU A 78 -1.838 4.699 -4.461 1.00 0.00 C ATOM 1283 C GLU A 78 -0.669 4.967 -3.520 1.00 0.00 C ATOM 1284 O GLU A 78 -0.609 6.010 -2.870 1.00 0.00 O ATOM 1285 CB GLU A 78 -2.975 4.013 -3.700 1.00 0.00 C ATOM 1286 CG GLU A 78 -3.754 4.953 -2.795 1.00 0.00 C ATOM 1287 CD GLU A 78 -5.245 4.674 -2.811 1.00 0.00 C ATOM 1288 OE1 GLU A 78 -5.627 3.496 -2.972 1.00 0.00 O ATOM 1289 OE2 GLU A 78 -6.030 5.634 -2.664 1.00 0.00 O ATOM 0 H GLU A 78 -1.887 2.974 -5.650 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.193 5.654 -4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.660 3.561 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.562 3.203 -3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.382 4.861 -1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.577 5.982 -3.107 1.00 0.00 H new ATOM 1296 N LEU A 79 0.260 4.018 -3.452 1.00 0.00 N ATOM 1297 CA LEU A 79 1.428 4.151 -2.590 1.00 0.00 C ATOM 1298 C LEU A 79 2.246 5.382 -2.968 1.00 0.00 C ATOM 1299 O LEU A 79 2.682 6.140 -2.101 1.00 0.00 O ATOM 1300 CB LEU A 79 2.301 2.897 -2.682 1.00 0.00 C ATOM 1301 CG LEU A 79 3.294 2.715 -1.533 1.00 0.00 C ATOM 1302 CD1 LEU A 79 3.582 1.240 -1.305 1.00 0.00 C ATOM 1303 CD2 LEU A 79 4.582 3.473 -1.820 1.00 0.00 C ATOM 0 H LEU A 79 0.226 3.148 -3.984 1.00 0.00 H new ATOM 0 HA LEU A 79 1.080 4.269 -1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.651 2.023 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.855 2.926 -3.620 1.00 0.00 H new ATOM 0 HG LEU A 79 2.849 3.121 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.290 1.130 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.655 0.723 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.007 0.808 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.278 3.333 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.030 3.095 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.362 4.534 -1.934 1.00 0.00 H new ATOM 1315 N GLU A 80 2.450 5.576 -4.267 1.00 0.00 N ATOM 1316 CA GLU A 80 3.214 6.716 -4.760 1.00 0.00 C ATOM 1317 C GLU A 80 2.563 8.030 -4.342 1.00 0.00 C ATOM 1318 O GLU A 80 3.245 9.032 -4.125 1.00 0.00 O ATOM 1319 CB GLU A 80 3.336 6.655 -6.283 1.00 0.00 C ATOM 1320 CG GLU A 80 4.558 5.891 -6.765 1.00 0.00 C ATOM 1321 CD GLU A 80 5.230 6.554 -7.952 1.00 0.00 C ATOM 1322 OE1 GLU A 80 4.563 7.352 -8.642 1.00 0.00 O ATOM 1323 OE2 GLU A 80 6.424 6.275 -8.191 1.00 0.00 O ATOM 0 H GLU A 80 2.097 4.958 -4.997 1.00 0.00 H new ATOM 0 HA GLU A 80 4.211 6.670 -4.321 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.441 6.187 -6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.374 7.671 -6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.274 5.806 -5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.264 4.878 -7.038 1.00 0.00 H new ATOM 1330 N GLU A 81 1.238 8.020 -4.233 1.00 0.00 N ATOM 1331 CA GLU A 81 0.493 9.211 -3.842 1.00 0.00 C ATOM 1332 C GLU A 81 0.877 9.655 -2.435 1.00 0.00 C ATOM 1333 O GLU A 81 0.855 10.846 -2.121 1.00 0.00 O ATOM 1334 CB GLU A 81 -1.011 8.943 -3.912 1.00 0.00 C ATOM 1335 CG GLU A 81 -1.839 10.191 -4.174 1.00 0.00 C ATOM 1336 CD GLU A 81 -3.045 9.916 -5.051 1.00 0.00 C ATOM 1337 OE1 GLU A 81 -2.892 9.203 -6.064 1.00 0.00 O ATOM 1338 OE2 GLU A 81 -4.143 10.415 -4.724 1.00 0.00 O ATOM 0 H GLU A 81 0.658 7.200 -4.410 1.00 0.00 H new ATOM 0 HA GLU A 81 0.745 10.011 -4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.206 8.216 -4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.335 8.492 -2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.173 10.607 -3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.212 10.945 -4.650 1.00 0.00 H new ATOM 1345 N LYS A 82 1.228 8.690 -1.590 1.00 0.00 N ATOM 1346 CA LYS A 82 1.617 8.982 -0.215 1.00 0.00 C ATOM 1347 C LYS A 82 3.048 9.505 -0.149 1.00 0.00 C ATOM 1348 O LYS A 82 3.403 10.261 0.755 1.00 0.00 O ATOM 1349 CB LYS A 82 1.479 7.729 0.652 1.00 0.00 C ATOM 1350 CG LYS A 82 0.142 7.023 0.494 1.00 0.00 C ATOM 1351 CD LYS A 82 -0.859 7.487 1.539 1.00 0.00 C ATOM 1352 CE LYS A 82 -2.286 7.169 1.123 1.00 0.00 C ATOM 1353 NZ LYS A 82 -2.874 8.248 0.284 1.00 0.00 N ATOM 0 H LYS A 82 1.251 7.700 -1.834 1.00 0.00 H new ATOM 0 HA LYS A 82 0.951 9.756 0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.280 7.033 0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.613 8.005 1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.256 7.214 -0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.286 5.946 0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.641 7.006 2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.754 8.561 1.693 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.302 6.230 0.570 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.900 7.026 2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.847 7.992 0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.883 9.139 0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.304 8.368 -0.577 1.00 0.00 H new ATOM 1367 N ARG A 83 3.870 9.096 -1.111 1.00 0.00 N ATOM 1368 CA ARG A 83 5.263 9.523 -1.160 1.00 0.00 C ATOM 1369 C ARG A 83 5.377 10.971 -1.625 1.00 0.00 C ATOM 1370 O ARG A 83 6.326 11.673 -1.270 1.00 0.00 O ATOM 1371 CB ARG A 83 6.065 8.611 -2.090 1.00 0.00 C ATOM 1372 CG ARG A 83 7.440 8.251 -1.550 1.00 0.00 C ATOM 1373 CD ARG A 83 8.502 9.226 -2.032 1.00 0.00 C ATOM 1374 NE ARG A 83 9.848 8.671 -1.919 1.00 0.00 N ATOM 1375 CZ ARG A 83 10.957 9.407 -1.929 1.00 0.00 C ATOM 1376 NH1 ARG A 83 10.884 10.727 -2.048 1.00 0.00 N ATOM 1377 NH2 ARG A 83 12.142 8.822 -1.819 1.00 0.00 N ATOM 0 H ARG A 83 3.595 8.469 -1.867 1.00 0.00 H new ATOM 0 HA ARG A 83 5.672 9.454 -0.152 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.500 7.695 -2.263 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.180 9.102 -3.056 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.415 8.249 -0.460 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.702 7.241 -1.865 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.306 9.491 -3.071 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.440 10.146 -1.451 1.00 0.00 H new ATOM 0 HE ARG A 83 9.944 7.660 -1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.975 11.182 -2.132 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.737 11.286 -2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.204 7.808 -1.727 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.992 9.386 -1.827 1.00 0.00 H new ATOM 1391 N ARG A 84 4.409 11.415 -2.419 1.00 0.00 N ATOM 1392 CA ARG A 84 4.410 12.782 -2.928 1.00 0.00 C ATOM 1393 C ARG A 84 3.908 13.768 -1.881 1.00 0.00 C ATOM 1394 O ARG A 84 3.915 14.978 -2.107 1.00 0.00 O ATOM 1395 CB ARG A 84 3.565 12.884 -4.199 1.00 0.00 C ATOM 1396 CG ARG A 84 2.082 12.638 -3.964 1.00 0.00 C ATOM 1397 CD ARG A 84 1.225 13.676 -4.670 1.00 0.00 C ATOM 1398 NE ARG A 84 1.548 15.036 -4.243 1.00 0.00 N ATOM 1399 CZ ARG A 84 0.742 16.080 -4.420 1.00 0.00 C ATOM 1400 NH1 ARG A 84 -0.433 15.926 -5.017 1.00 0.00 N ATOM 1401 NH2 ARG A 84 1.113 17.282 -3.999 1.00 0.00 N ATOM 0 H ARG A 84 3.616 10.851 -2.724 1.00 0.00 H new ATOM 0 HA ARG A 84 5.441 13.043 -3.168 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.696 13.875 -4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 84 3.933 12.164 -4.929 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.817 11.643 -4.320 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.874 12.660 -2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.367 13.591 -5.747 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.173 13.474 -4.470 1.00 0.00 H new ATOM 0 HE ARG A 84 2.444 15.194 -3.782 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.722 15.004 -5.343 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.047 16.730 -5.150 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.015 17.406 -3.540 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.496 18.083 -4.134 1.00 0.00 H new ATOM 1415 N SER A 85 3.493 13.255 -0.728 1.00 0.00 N ATOM 1416 CA SER A 85 3.017 14.111 0.346 1.00 0.00 C ATOM 1417 C SER A 85 4.130 15.051 0.811 1.00 0.00 C ATOM 1418 O SER A 85 3.880 16.002 1.551 1.00 0.00 O ATOM 1419 CB SER A 85 2.520 13.267 1.521 1.00 0.00 C ATOM 1420 OG SER A 85 3.537 12.402 1.996 1.00 0.00 O ATOM 0 H SER A 85 3.477 12.257 -0.516 1.00 0.00 H new ATOM 0 HA SER A 85 2.188 14.708 -0.033 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.189 13.921 2.328 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.655 12.680 1.211 1.00 0.00 H new ATOM 0 HG SER A 85 3.289 11.472 1.809 1.00 0.00 H new ATOM 1426 N ARG A 86 5.361 14.777 0.372 1.00 0.00 N ATOM 1427 CA ARG A 86 6.505 15.605 0.751 1.00 0.00 C ATOM 1428 C ARG A 86 7.522 15.724 -0.373 1.00 0.00 C ATOM 1429 O ARG A 86 8.412 16.574 -0.342 1.00 0.00 O ATOM 1430 CB ARG A 86 7.179 15.034 1.993 1.00 0.00 C ATOM 1431 CG ARG A 86 6.420 15.309 3.282 1.00 0.00 C ATOM 1432 CD ARG A 86 5.663 14.079 3.760 1.00 0.00 C ATOM 1433 NE ARG A 86 5.749 13.911 5.208 1.00 0.00 N ATOM 1434 CZ ARG A 86 4.916 13.153 5.918 1.00 0.00 C ATOM 1435 NH1 ARG A 86 3.935 12.491 5.317 1.00 0.00 N ATOM 1436 NH2 ARG A 86 5.065 13.055 7.232 1.00 0.00 N ATOM 0 H ARG A 86 5.589 13.994 -0.241 1.00 0.00 H new ATOM 0 HA ARG A 86 6.124 16.604 0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.292 13.957 1.871 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.182 15.453 2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.119 15.630 4.055 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.720 16.129 3.125 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.617 14.161 3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.064 13.193 3.268 1.00 0.00 H new ATOM 0 HE ARG A 86 6.491 14.404 5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.816 12.562 4.306 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.300 11.912 5.866 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.818 13.560 7.699 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.427 12.474 7.776 1.00 0.00 H new ATOM 1450 N LEU A 87 7.373 14.869 -1.352 1.00 0.00 N ATOM 1451 CA LEU A 87 8.262 14.847 -2.507 1.00 0.00 C ATOM 1452 C LEU A 87 7.732 13.907 -3.586 1.00 0.00 C ATOM 1453 O LEU A 87 7.981 12.688 -3.481 1.00 0.00 O ATOM 1454 CB LEU A 87 9.668 14.418 -2.087 1.00 0.00 C ATOM 1455 CG LEU A 87 10.808 15.091 -2.854 1.00 0.00 C ATOM 1456 CD1 LEU A 87 10.625 14.908 -4.352 1.00 0.00 C ATOM 1457 CD2 LEU A 87 10.886 16.569 -2.501 1.00 0.00 C ATOM 1458 OXT LEU A 87 7.072 14.398 -4.525 1.00 0.00 O ATOM 0 H LEU A 87 6.635 14.165 -1.380 1.00 0.00 H new ATOM 0 HA LEU A 87 8.305 15.855 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.793 14.627 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.754 13.339 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 87 11.746 14.617 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.445 15.393 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.618 13.844 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.680 15.355 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.702 17.033 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.947 17.056 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.065 16.679 -1.431 1.00 0.00 H new TER 1470 LEU A 87 ATOM 1471 N GLY B 88 -17.600 8.197 12.154 1.00 0.00 N ATOM 1472 CA GLY B 88 -16.948 7.297 11.163 1.00 0.00 C ATOM 1473 C GLY B 88 -17.952 6.501 10.354 1.00 0.00 C ATOM 1474 O GLY B 88 -18.328 5.393 10.736 1.00 0.00 O ATOM 0 HA2 GLY B 88 -16.331 7.891 10.488 1.00 0.00 H new ATOM 0 HA3 GLY B 88 -16.280 6.611 11.684 1.00 0.00 H new ATOM 1480 N SER B 89 -18.388 7.066 9.232 1.00 0.00 N ATOM 1481 CA SER B 89 -19.355 6.401 8.367 1.00 0.00 C ATOM 1482 C SER B 89 -18.684 5.880 7.100 1.00 0.00 C ATOM 1483 O SER B 89 -19.299 5.830 6.036 1.00 0.00 O ATOM 1484 CB SER B 89 -20.488 7.362 8.001 1.00 0.00 C ATOM 1485 OG SER B 89 -20.007 8.686 7.855 1.00 0.00 O ATOM 0 H SER B 89 -18.087 7.983 8.901 1.00 0.00 H new ATOM 0 HA SER B 89 -19.769 5.552 8.911 1.00 0.00 H new ATOM 0 HB2 SER B 89 -20.958 7.038 7.072 1.00 0.00 H new ATOM 0 HB3 SER B 89 -21.256 7.334 8.774 1.00 0.00 H new ATOM 0 HG SER B 89 -20.750 9.280 7.619 1.00 0.00 H new ATOM 1491 N GLY B 90 -17.419 5.494 7.223 1.00 0.00 N ATOM 1492 CA GLY B 90 -16.684 4.983 6.081 1.00 0.00 C ATOM 1493 C GLY B 90 -15.873 3.747 6.418 1.00 0.00 C ATOM 1494 O GLY B 90 -14.841 3.487 5.800 1.00 0.00 O ATOM 0 H GLY B 90 -16.889 5.526 8.094 1.00 0.00 H new ATOM 0 HA2 GLY B 90 -17.383 4.747 5.279 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -16.018 5.759 5.705 1.00 0.00 H new ATOM 1498 N THR B 91 -16.343 2.984 7.401 1.00 0.00 N ATOM 1499 CA THR B 91 -15.658 1.765 7.824 1.00 0.00 C ATOM 1500 C THR B 91 -14.330 2.092 8.503 1.00 0.00 C ATOM 1501 O THR B 91 -14.170 1.888 9.705 1.00 0.00 O ATOM 1502 CB THR B 91 -15.420 0.839 6.629 1.00 0.00 C ATOM 1503 OG1 THR B 91 -16.597 0.713 5.851 1.00 0.00 O ATOM 1504 CG2 THR B 91 -14.982 -0.553 7.027 1.00 0.00 C ATOM 0 H THR B 91 -17.197 3.188 7.921 1.00 0.00 H new ATOM 0 HA THR B 91 -16.298 1.255 8.544 1.00 0.00 H new ATOM 0 HB THR B 91 -14.617 1.305 6.059 1.00 0.00 H new ATOM 0 HG1 THR B 91 -16.425 0.119 5.091 1.00 0.00 H new ATOM 0 HG21 THR B 91 -14.831 -1.157 6.132 1.00 0.00 H new ATOM 0 HG22 THR B 91 -14.049 -0.495 7.587 1.00 0.00 H new ATOM 0 HG23 THR B 91 -15.750 -1.012 7.649 1.00 0.00 H new ATOM 1512 N ASP B 92 -13.381 2.600 7.723 1.00 0.00 N ATOM 1513 CA ASP B 92 -12.068 2.955 8.250 1.00 0.00 C ATOM 1514 C ASP B 92 -11.198 3.583 7.166 1.00 0.00 C ATOM 1515 O ASP B 92 -11.594 3.655 6.002 1.00 0.00 O ATOM 1516 CB ASP B 92 -11.374 1.718 8.824 1.00 0.00 C ATOM 1517 CG ASP B 92 -10.571 2.033 10.072 1.00 0.00 C ATOM 1518 OD1 ASP B 92 -10.039 3.159 10.166 1.00 0.00 O ATOM 1519 OD2 ASP B 92 -10.475 1.154 10.953 1.00 0.00 O ATOM 0 H ASP B 92 -13.497 2.775 6.725 1.00 0.00 H new ATOM 0 HA ASP B 92 -12.209 3.686 9.046 1.00 0.00 H new ATOM 0 HB2 ASP B 92 -12.122 0.961 9.058 1.00 0.00 H new ATOM 0 HB3 ASP B 92 -10.714 1.291 8.069 1.00 0.00 H new ATOM 1524 N LYS B 93 -10.010 4.033 7.555 1.00 0.00 N ATOM 1525 CA LYS B 93 -9.083 4.655 6.616 1.00 0.00 C ATOM 1526 C LYS B 93 -7.641 4.284 6.949 1.00 0.00 C ATOM 1527 O LYS B 93 -6.731 5.101 6.806 1.00 0.00 O ATOM 1528 CB LYS B 93 -9.248 6.175 6.635 1.00 0.00 C ATOM 1529 CG LYS B 93 -10.533 6.656 5.981 1.00 0.00 C ATOM 1530 CD LYS B 93 -11.062 7.914 6.649 1.00 0.00 C ATOM 1531 CE LYS B 93 -12.076 7.585 7.733 1.00 0.00 C ATOM 1532 NZ LYS B 93 -11.465 6.815 8.851 1.00 0.00 N ATOM 0 H LYS B 93 -9.666 3.979 8.514 1.00 0.00 H new ATOM 0 HA LYS B 93 -9.313 4.284 5.617 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -9.224 6.522 7.668 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.399 6.631 6.126 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.353 6.853 4.924 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -11.286 5.870 6.035 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.233 8.473 7.083 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.524 8.558 5.901 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.505 8.509 8.121 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -12.895 7.010 7.301 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -12.096 6.843 9.677 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -11.324 5.828 8.556 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -10.547 7.236 9.101 1.00 0.00 H new ATOM 1546 N GLU B 94 -7.441 3.048 7.392 1.00 0.00 N ATOM 1547 CA GLU B 94 -6.109 2.569 7.745 1.00 0.00 C ATOM 1548 C GLU B 94 -5.289 2.265 6.497 1.00 0.00 C ATOM 1549 O GLU B 94 -4.061 2.343 6.516 1.00 0.00 O ATOM 1550 CB GLU B 94 -6.209 1.318 8.621 1.00 0.00 C ATOM 1551 CG GLU B 94 -6.880 0.142 7.928 1.00 0.00 C ATOM 1552 CD GLU B 94 -8.355 0.033 8.262 1.00 0.00 C ATOM 1553 OE1 GLU B 94 -8.701 0.118 9.459 1.00 0.00 O ATOM 1554 OE2 GLU B 94 -9.164 -0.138 7.325 1.00 0.00 O ATOM 0 H GLU B 94 -8.183 2.360 7.515 1.00 0.00 H new ATOM 0 HA GLU B 94 -5.605 3.357 8.304 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -5.207 1.022 8.933 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -6.766 1.562 9.526 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -6.762 0.245 6.849 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -6.377 -0.781 8.217 1.00 0.00 H new ATOM 1561 N LEU B 95 -5.973 1.921 5.410 1.00 0.00 N ATOM 1562 CA LEU B 95 -5.303 1.609 4.152 1.00 0.00 C ATOM 1563 C LEU B 95 -4.411 2.765 3.710 1.00 0.00 C ATOM 1564 O LEU B 95 -3.347 2.557 3.128 1.00 0.00 O ATOM 1565 CB LEU B 95 -6.333 1.299 3.064 1.00 0.00 C ATOM 1566 CG LEU B 95 -5.746 0.986 1.687 1.00 0.00 C ATOM 1567 CD1 LEU B 95 -5.449 -0.499 1.557 1.00 0.00 C ATOM 1568 CD2 LEU B 95 -6.696 1.441 0.588 1.00 0.00 C ATOM 0 H LEU B 95 -6.990 1.851 5.375 1.00 0.00 H new ATOM 0 HA LEU B 95 -4.677 0.731 4.310 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.935 0.450 3.387 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.007 2.151 2.970 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.809 1.532 1.580 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -5.032 -0.702 0.570 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -4.731 -0.795 2.322 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -6.370 -1.067 1.685 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.263 1.211 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -7.649 0.922 0.693 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -6.857 2.516 0.668 1.00 0.00 H new ATOM 1580 N SER B 96 -4.854 3.986 3.995 1.00 0.00 N ATOM 1581 CA SER B 96 -4.097 5.177 3.631 1.00 0.00 C ATOM 1582 C SER B 96 -2.944 5.406 4.603 1.00 0.00 C ATOM 1583 O SER B 96 -1.880 5.890 4.217 1.00 0.00 O ATOM 1584 CB SER B 96 -5.013 6.403 3.612 1.00 0.00 C ATOM 1585 OG SER B 96 -6.154 6.174 2.804 1.00 0.00 O ATOM 0 H SER B 96 -5.733 4.176 4.477 1.00 0.00 H new ATOM 0 HA SER B 96 -3.684 5.024 2.634 1.00 0.00 H new ATOM 0 HB2 SER B 96 -5.325 6.643 4.628 1.00 0.00 H new ATOM 0 HB3 SER B 96 -4.464 7.266 3.235 1.00 0.00 H new ATOM 0 HG SER B 96 -6.724 6.971 2.810 1.00 0.00 H new ATOM 1591 N ASP B 97 -3.162 5.053 5.867 1.00 0.00 N ATOM 1592 CA ASP B 97 -2.141 5.221 6.894 1.00 0.00 C ATOM 1593 C ASP B 97 -1.101 4.107 6.814 1.00 0.00 C ATOM 1594 O ASP B 97 0.069 4.314 7.137 1.00 0.00 O ATOM 1595 CB ASP B 97 -2.783 5.235 8.282 1.00 0.00 C ATOM 1596 CG ASP B 97 -1.775 5.507 9.383 1.00 0.00 C ATOM 1597 OD1 ASP B 97 -1.068 6.534 9.299 1.00 0.00 O ATOM 1598 OD2 ASP B 97 -1.694 4.695 10.328 1.00 0.00 O ATOM 0 H ASP B 97 -4.036 4.649 6.203 1.00 0.00 H new ATOM 0 HA ASP B 97 -1.641 6.174 6.722 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -3.563 5.996 8.311 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -3.267 4.276 8.465 1.00 0.00 H new ATOM 1603 N LEU B 98 -1.535 2.927 6.385 1.00 0.00 N ATOM 1604 CA LEU B 98 -0.641 1.781 6.263 1.00 0.00 C ATOM 1605 C LEU B 98 0.374 1.997 5.145 1.00 0.00 C ATOM 1606 O LEU B 98 1.497 1.499 5.208 1.00 0.00 O ATOM 1607 CB LEU B 98 -1.445 0.507 5.999 1.00 0.00 C ATOM 1608 CG LEU B 98 -2.062 -0.138 7.241 1.00 0.00 C ATOM 1609 CD1 LEU B 98 -3.230 -1.032 6.853 1.00 0.00 C ATOM 1610 CD2 LEU B 98 -1.014 -0.930 8.008 1.00 0.00 C ATOM 0 H LEU B 98 -2.501 2.739 6.116 1.00 0.00 H new ATOM 0 HA LEU B 98 -0.100 1.673 7.203 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -2.243 0.739 5.294 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -0.794 -0.221 5.515 1.00 0.00 H new ATOM 0 HG LEU B 98 -2.436 0.654 7.890 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -3.657 -1.483 7.749 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -3.991 -0.437 6.348 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -2.880 -1.818 6.183 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -1.471 -1.382 8.888 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -0.609 -1.713 7.367 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -0.210 -0.263 8.319 1.00 0.00 H new ATOM 1622 N LEU B 99 -0.029 2.743 4.121 1.00 0.00 N ATOM 1623 CA LEU B 99 0.846 3.023 2.988 1.00 0.00 C ATOM 1624 C LEU B 99 1.847 4.123 3.331 1.00 0.00 C ATOM 1625 O LEU B 99 2.964 4.140 2.816 1.00 0.00 O ATOM 1626 CB LEU B 99 0.020 3.432 1.767 1.00 0.00 C ATOM 1627 CG LEU B 99 -0.576 2.270 0.970 1.00 0.00 C ATOM 1628 CD1 LEU B 99 -1.828 2.716 0.233 1.00 0.00 C ATOM 1629 CD2 LEU B 99 0.451 1.714 -0.006 1.00 0.00 C ATOM 0 H LEU B 99 -0.955 3.164 4.053 1.00 0.00 H new ATOM 0 HA LEU B 99 1.399 2.113 2.756 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -0.792 4.080 2.097 1.00 0.00 H new ATOM 0 HB3 LEU B 99 0.650 4.023 1.102 1.00 0.00 H new ATOM 0 HG LEU B 99 -0.853 1.479 1.667 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -2.238 1.877 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -2.568 3.068 0.952 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -1.577 3.524 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU B 99 0.012 0.888 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU B 99 0.757 2.499 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU B 99 1.321 1.357 0.545 1.00 0.00 H new ATOM 1641 N ASP B 100 1.437 5.040 4.201 1.00 0.00 N ATOM 1642 CA ASP B 100 2.297 6.144 4.612 1.00 0.00 C ATOM 1643 C ASP B 100 3.580 5.626 5.255 1.00 0.00 C ATOM 1644 O ASP B 100 4.639 6.240 5.134 1.00 0.00 O ATOM 1645 CB ASP B 100 1.557 7.059 5.588 1.00 0.00 C ATOM 1646 CG ASP B 100 2.313 8.344 5.862 1.00 0.00 C ATOM 1647 OD1 ASP B 100 3.322 8.295 6.597 1.00 0.00 O ATOM 1648 OD2 ASP B 100 1.896 9.401 5.343 1.00 0.00 O ATOM 0 H ASP B 100 0.514 5.041 4.635 1.00 0.00 H new ATOM 0 HA ASP B 100 2.563 6.714 3.722 1.00 0.00 H new ATOM 0 HB2 ASP B 100 0.574 7.298 5.183 1.00 0.00 H new ATOM 0 HB3 ASP B 100 1.395 6.529 6.527 1.00 0.00 H new ATOM 1653 N PHE B 101 3.475 4.491 5.940 1.00 0.00 N ATOM 1654 CA PHE B 101 4.626 3.890 6.604 1.00 0.00 C ATOM 1655 C PHE B 101 5.725 3.561 5.597 1.00 0.00 C ATOM 1656 O PHE B 101 6.891 3.894 5.804 1.00 0.00 O ATOM 1657 CB PHE B 101 4.205 2.621 7.348 1.00 0.00 C ATOM 1658 CG PHE B 101 5.268 2.078 8.260 1.00 0.00 C ATOM 1659 CD1 PHE B 101 6.411 1.490 7.742 1.00 0.00 C ATOM 1660 CD2 PHE B 101 5.122 2.153 9.636 1.00 0.00 C ATOM 1661 CE1 PHE B 101 7.389 0.988 8.580 1.00 0.00 C ATOM 1662 CE2 PHE B 101 6.097 1.652 10.478 1.00 0.00 C ATOM 1663 CZ PHE B 101 7.231 1.069 9.950 1.00 0.00 C ATOM 0 H PHE B 101 2.605 3.970 6.049 1.00 0.00 H new ATOM 0 HA PHE B 101 5.019 4.611 7.321 1.00 0.00 H new ATOM 0 HB2 PHE B 101 3.310 2.833 7.933 1.00 0.00 H new ATOM 0 HB3 PHE B 101 3.937 1.855 6.620 1.00 0.00 H new ATOM 0 HD1 PHE B 101 6.539 1.423 6.672 1.00 0.00 H new ATOM 0 HD2 PHE B 101 4.237 2.608 10.055 1.00 0.00 H new ATOM 0 HE1 PHE B 101 8.276 0.533 8.164 1.00 0.00 H new ATOM 0 HE2 PHE B 101 5.971 1.717 11.549 1.00 0.00 H new ATOM 0 HZ PHE B 101 7.994 0.677 10.607 1.00 0.00 H new ATOM 1673 N SER B 102 5.342 2.906 4.506 1.00 0.00 N ATOM 1674 CA SER B 102 6.295 2.532 3.466 1.00 0.00 C ATOM 1675 C SER B 102 6.860 3.769 2.776 1.00 0.00 C ATOM 1676 O SER B 102 8.036 3.808 2.416 1.00 0.00 O ATOM 1677 CB SER B 102 5.625 1.621 2.436 1.00 0.00 C ATOM 1678 OG SER B 102 4.711 2.345 1.632 1.00 0.00 O ATOM 0 H SER B 102 4.380 2.623 4.319 1.00 0.00 H new ATOM 0 HA SER B 102 7.117 1.994 3.937 1.00 0.00 H new ATOM 0 HB2 SER B 102 6.385 1.161 1.804 1.00 0.00 H new ATOM 0 HB3 SER B 102 5.103 0.812 2.947 1.00 0.00 H new ATOM 0 HG SER B 102 4.157 2.919 2.202 1.00 0.00 H new ATOM 1684 N ALA B 103 6.014 4.779 2.596 1.00 0.00 N ATOM 1685 CA ALA B 103 6.430 6.017 1.951 1.00 0.00 C ATOM 1686 C ALA B 103 7.559 6.688 2.724 1.00 0.00 C ATOM 1687 O ALA B 103 8.513 7.197 2.135 1.00 0.00 O ATOM 1688 CB ALA B 103 5.246 6.964 1.816 1.00 0.00 C ATOM 0 H ALA B 103 5.037 4.763 2.888 1.00 0.00 H new ATOM 0 HA ALA B 103 6.802 5.772 0.956 1.00 0.00 H new ATOM 0 HB1 ALA B 103 5.570 7.885 1.332 1.00 0.00 H new ATOM 0 HB2 ALA B 103 4.469 6.492 1.214 1.00 0.00 H new ATOM 0 HB3 ALA B 103 4.849 7.194 2.805 1.00 0.00 H new ATOM 1694 N MET B 104 7.445 6.685 4.048 1.00 0.00 N ATOM 1695 CA MET B 104 8.458 7.293 4.904 1.00 0.00 C ATOM 1696 C MET B 104 9.576 6.302 5.212 1.00 0.00 C ATOM 1697 O MET B 104 10.752 6.666 5.238 1.00 0.00 O ATOM 1698 CB MET B 104 7.825 7.787 6.207 1.00 0.00 C ATOM 1699 CG MET B 104 6.776 8.867 6.002 1.00 0.00 C ATOM 1700 SD MET B 104 6.047 9.429 7.552 1.00 0.00 S ATOM 1701 CE MET B 104 6.923 10.970 7.801 1.00 0.00 C ATOM 0 H MET B 104 6.662 6.269 4.552 1.00 0.00 H new ATOM 0 HA MET B 104 8.886 8.142 4.371 1.00 0.00 H new ATOM 0 HB2 MET B 104 7.369 6.942 6.723 1.00 0.00 H new ATOM 0 HB3 MET B 104 8.609 8.173 6.859 1.00 0.00 H new ATOM 0 HG2 MET B 104 7.229 9.716 5.489 1.00 0.00 H new ATOM 0 HG3 MET B 104 5.989 8.485 5.352 1.00 0.00 H new ATOM 0 HE1 MET B 104 6.430 11.547 8.584 1.00 0.00 H new ATOM 0 HE2 MET B 104 7.951 10.760 8.098 1.00 0.00 H new ATOM 0 HE3 MET B 104 6.923 11.543 6.874 1.00 0.00 H new ATOM 1711 N PHE B 105 9.201 5.048 5.446 1.00 0.00 N ATOM 1712 CA PHE B 105 10.173 4.005 5.752 1.00 0.00 C ATOM 1713 C PHE B 105 10.401 3.102 4.544 1.00 0.00 C ATOM 1714 O PHE B 105 9.482 2.426 4.079 1.00 0.00 O ATOM 1715 CB PHE B 105 9.699 3.172 6.944 1.00 0.00 C ATOM 1716 CG PHE B 105 10.814 2.720 7.843 1.00 0.00 C ATOM 1717 CD1 PHE B 105 11.385 3.594 8.753 1.00 0.00 C ATOM 1718 CD2 PHE B 105 11.291 1.421 7.776 1.00 0.00 C ATOM 1719 CE1 PHE B 105 12.412 3.181 9.581 1.00 0.00 C ATOM 1720 CE2 PHE B 105 12.318 1.001 8.600 1.00 0.00 C ATOM 1721 CZ PHE B 105 12.878 1.883 9.505 1.00 0.00 C ATOM 0 H PHE B 105 8.232 4.730 5.429 1.00 0.00 H new ATOM 0 HA PHE B 105 11.117 4.486 6.006 1.00 0.00 H new ATOM 0 HB2 PHE B 105 8.989 3.758 7.527 1.00 0.00 H new ATOM 0 HB3 PHE B 105 9.163 2.297 6.575 1.00 0.00 H new ATOM 0 HD1 PHE B 105 11.024 4.610 8.816 1.00 0.00 H new ATOM 0 HD2 PHE B 105 10.855 0.728 7.071 1.00 0.00 H new ATOM 0 HE1 PHE B 105 12.849 3.872 10.286 1.00 0.00 H new ATOM 0 HE2 PHE B 105 12.682 -0.014 8.537 1.00 0.00 H new ATOM 0 HZ PHE B 105 13.679 1.558 10.152 1.00 0.00 H new ATOM 1731 N SER B 106 11.630 3.096 4.040 1.00 0.00 N ATOM 1732 CA SER B 106 11.978 2.276 2.885 1.00 0.00 C ATOM 1733 C SER B 106 12.825 1.078 3.305 1.00 0.00 C ATOM 1734 O SER B 106 12.846 0.079 2.556 1.00 0.00 O ATOM 1735 CB SER B 106 12.733 3.111 1.850 1.00 0.00 C ATOM 1736 OG SER B 106 13.985 3.543 2.355 1.00 0.00 O ATOM 1737 OXT SER B 106 13.460 1.150 4.378 1.00 0.00 O ATOM 0 H SER B 106 12.402 3.649 4.413 1.00 0.00 H new ATOM 0 HA SER B 106 11.054 1.907 2.440 1.00 0.00 H new ATOM 0 HB2 SER B 106 12.886 2.522 0.946 1.00 0.00 H new ATOM 0 HB3 SER B 106 12.133 3.976 1.569 1.00 0.00 H new ATOM 0 HG SER B 106 14.448 4.073 1.673 1.00 0.00 H new TER 1743 SER B 106