USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 924 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 THR OG1 : rot -66:sc= 0.486 USER MOD Set 1.2: A 118 SER OG : rot -150:sc= 0.02 USER MOD Set 2.1: A 80 CYS SG : rot 88:sc= -0.617 USER MOD Set 2.2: A 95 CYS SG : rot 180:sc= 0.754 USER MOD Set 3.1: A 54 MET CE :methyl -156:sc= -2.13! (180deg=-2.9) USER MOD Set 3.2: A 58 CYS SG : rot 60:sc= -2.62! USER MOD Set 4.1: A 36 HIS :FLIP no HD1:sc=-0.00161 X(o=-5.9,f=-5.8) USER MOD Set 4.2: A 53 HIS : no HD1:sc= -5.77! C(o=-5.8!,f=-5.9!) USER MOD Set 5.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 25 LYS NZ :NH3+ 130:sc= 0.173 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 42:sc= 0.416 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 18:sc= 0.267 USER MOD Single : A 17 GLN : amide:sc= 1.13 K(o=1.1,f=-0.048) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 164:sc=-0.00815 (180deg=-0.126) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.722 K(o=-0.72,f=-5.2!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 30:sc= -0.35 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -2.05 X(o=-2.1,f=-2.4) USER MOD Single : A 44 THR OG1 : rot -19:sc= -0.62 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 160:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.175 K(o=-0.17,f=-0.68) USER MOD Single : A 67 CYS SG : rot -58:sc= 0.0487 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 76 LYS NZ :NH3+ 162:sc= -0.0588 (180deg=-0.365) USER MOD Single : A 83 GLN : amide:sc= -3.85! C(o=-3.8!,f=-6.9!) USER MOD Single : A 86 CYS SG : rot 180:sc= -0.35 USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= -0.0347 (180deg=-0.208) USER MOD Single : A 91 THR OG1 : rot 18:sc= 0.412 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0338 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot 180:sc=-0.00819 USER MOD Single : A 106 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0783) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.101 K(o=-0.1,f=-2.1!) USER MOD Single : A 112 SER OG : rot -43:sc= 0.711 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.679 -12.445 -12.991 1.00 0.00 N ATOM 2 CA GLY A 1 -21.881 -12.566 -11.559 1.00 0.00 C ATOM 3 C GLY A 1 -22.231 -11.242 -10.909 1.00 0.00 C ATOM 4 O GLY A 1 -21.493 -10.265 -11.038 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.442 -13.377 -13.388 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.550 -12.090 -13.436 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.900 -11.781 -13.177 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.679 -13.284 -11.367 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.976 -12.965 -11.100 1.00 0.00 H new ATOM 8 N SER A 2 -23.362 -11.208 -10.211 1.00 0.00 N ATOM 9 CA SER A 2 -23.811 -9.992 -9.543 1.00 0.00 C ATOM 10 C SER A 2 -23.358 -9.973 -8.086 1.00 0.00 C ATOM 11 O SER A 2 -22.613 -9.087 -7.668 1.00 0.00 O ATOM 12 CB SER A 2 -25.335 -9.879 -9.616 1.00 0.00 C ATOM 13 OG SER A 2 -25.748 -9.364 -10.870 1.00 0.00 O ATOM 0 H SER A 2 -23.984 -12.008 -10.094 1.00 0.00 H new ATOM 0 HA SER A 2 -23.365 -9.140 -10.055 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.784 -10.859 -9.456 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.694 -9.230 -8.817 1.00 0.00 H new ATOM 0 HG SER A 2 -26.726 -9.303 -10.893 1.00 0.00 H new ATOM 19 N SER A 3 -23.813 -10.958 -7.318 1.00 0.00 N ATOM 20 CA SER A 3 -23.459 -11.054 -5.907 1.00 0.00 C ATOM 21 C SER A 3 -22.016 -11.522 -5.740 1.00 0.00 C ATOM 22 O SER A 3 -21.714 -12.704 -5.893 1.00 0.00 O ATOM 23 CB SER A 3 -24.405 -12.015 -5.186 1.00 0.00 C ATOM 24 OG SER A 3 -24.464 -13.266 -5.848 1.00 0.00 O ATOM 0 H SER A 3 -24.428 -11.701 -7.650 1.00 0.00 H new ATOM 0 HA SER A 3 -23.555 -10.062 -5.465 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.069 -12.159 -4.159 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.403 -11.579 -5.136 1.00 0.00 H new ATOM 0 HG SER A 3 -23.562 -13.533 -6.124 1.00 0.00 H new ATOM 30 N GLY A 4 -21.129 -10.583 -5.425 1.00 0.00 N ATOM 31 CA GLY A 4 -19.729 -10.917 -5.242 1.00 0.00 C ATOM 32 C GLY A 4 -18.813 -9.735 -5.490 1.00 0.00 C ATOM 33 O GLY A 4 -18.164 -9.239 -4.569 1.00 0.00 O ATOM 0 H GLY A 4 -21.355 -9.597 -5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.576 -11.284 -4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.461 -11.728 -5.919 1.00 0.00 H new ATOM 37 N SER A 5 -18.759 -9.283 -6.739 1.00 0.00 N ATOM 38 CA SER A 5 -17.911 -8.154 -7.107 1.00 0.00 C ATOM 39 C SER A 5 -18.443 -6.857 -6.505 1.00 0.00 C ATOM 40 O SER A 5 -19.652 -6.630 -6.460 1.00 0.00 O ATOM 41 CB SER A 5 -17.828 -8.027 -8.629 1.00 0.00 C ATOM 42 OG SER A 5 -17.204 -9.163 -9.202 1.00 0.00 O ATOM 0 H SER A 5 -19.292 -9.681 -7.513 1.00 0.00 H new ATOM 0 HA SER A 5 -16.912 -8.336 -6.710 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.830 -7.911 -9.043 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.269 -7.129 -8.892 1.00 0.00 H new ATOM 0 HG SER A 5 -17.165 -9.058 -10.176 1.00 0.00 H new ATOM 48 N SER A 6 -17.529 -6.008 -6.044 1.00 0.00 N ATOM 49 CA SER A 6 -17.905 -4.735 -5.441 1.00 0.00 C ATOM 50 C SER A 6 -17.374 -3.566 -6.266 1.00 0.00 C ATOM 51 O SER A 6 -18.058 -2.559 -6.448 1.00 0.00 O ATOM 52 CB SER A 6 -17.371 -4.647 -4.010 1.00 0.00 C ATOM 53 OG SER A 6 -18.162 -3.773 -3.223 1.00 0.00 O ATOM 0 H SER A 6 -16.524 -6.179 -6.077 1.00 0.00 H new ATOM 0 HA SER A 6 -18.993 -4.678 -5.420 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.363 -5.640 -3.560 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.339 -4.295 -4.024 1.00 0.00 H new ATOM 0 HG SER A 6 -17.801 -3.736 -2.313 1.00 0.00 H new ATOM 59 N GLY A 7 -16.149 -3.708 -6.763 1.00 0.00 N ATOM 60 CA GLY A 7 -15.547 -2.657 -7.563 1.00 0.00 C ATOM 61 C GLY A 7 -14.365 -2.008 -6.872 1.00 0.00 C ATOM 62 O GLY A 7 -14.531 -1.280 -5.893 1.00 0.00 O ATOM 0 H GLY A 7 -15.563 -4.532 -6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.223 -3.072 -8.518 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.297 -1.897 -7.783 1.00 0.00 H new ATOM 66 N PHE A 8 -13.165 -2.273 -7.380 1.00 0.00 N ATOM 67 CA PHE A 8 -11.950 -1.712 -6.803 1.00 0.00 C ATOM 68 C PHE A 8 -11.533 -0.443 -7.541 1.00 0.00 C ATOM 69 O PHE A 8 -11.671 -0.347 -8.761 1.00 0.00 O ATOM 70 CB PHE A 8 -10.816 -2.738 -6.851 1.00 0.00 C ATOM 71 CG PHE A 8 -11.187 -4.070 -6.264 1.00 0.00 C ATOM 72 CD1 PHE A 8 -11.542 -4.178 -4.929 1.00 0.00 C ATOM 73 CD2 PHE A 8 -11.182 -5.213 -7.047 1.00 0.00 C ATOM 74 CE1 PHE A 8 -11.883 -5.402 -4.386 1.00 0.00 C ATOM 75 CE2 PHE A 8 -11.523 -6.440 -6.509 1.00 0.00 C ATOM 76 CZ PHE A 8 -11.875 -6.534 -5.177 1.00 0.00 C ATOM 0 H PHE A 8 -13.009 -2.873 -8.190 1.00 0.00 H new ATOM 0 HA PHE A 8 -12.156 -1.456 -5.764 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.509 -2.880 -7.887 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.954 -2.341 -6.314 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.552 -3.296 -4.306 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.909 -5.145 -8.090 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.156 -5.473 -3.343 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.514 -7.324 -7.130 1.00 0.00 H new ATOM 0 HZ PHE A 8 -12.144 -7.491 -4.755 1.00 0.00 H new ATOM 86 N VAL A 9 -11.025 0.530 -6.792 1.00 0.00 N ATOM 87 CA VAL A 9 -10.588 1.794 -7.373 1.00 0.00 C ATOM 88 C VAL A 9 -9.363 1.596 -8.260 1.00 0.00 C ATOM 89 O VAL A 9 -9.387 1.912 -9.450 1.00 0.00 O ATOM 90 CB VAL A 9 -10.256 2.829 -6.282 1.00 0.00 C ATOM 91 CG1 VAL A 9 -10.028 4.201 -6.899 1.00 0.00 C ATOM 92 CG2 VAL A 9 -11.365 2.881 -5.243 1.00 0.00 C ATOM 0 H VAL A 9 -10.906 0.467 -5.781 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.415 2.167 -7.977 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.336 2.524 -5.784 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.795 4.919 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.197 4.150 -7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.929 4.518 -7.424 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.114 3.617 -4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.302 3.162 -5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.475 1.901 -4.779 1.00 0.00 H new ATOM 102 N LYS A 10 -8.293 1.071 -7.673 1.00 0.00 N ATOM 103 CA LYS A 10 -7.058 0.829 -8.409 1.00 0.00 C ATOM 104 C LYS A 10 -6.384 -0.454 -7.934 1.00 0.00 C ATOM 105 O LYS A 10 -6.157 -0.641 -6.738 1.00 0.00 O ATOM 106 CB LYS A 10 -6.101 2.012 -8.244 1.00 0.00 C ATOM 107 CG LYS A 10 -4.745 1.793 -8.893 1.00 0.00 C ATOM 108 CD LYS A 10 -3.859 3.020 -8.760 1.00 0.00 C ATOM 109 CE LYS A 10 -2.391 2.669 -8.946 1.00 0.00 C ATOM 110 NZ LYS A 10 -2.084 2.297 -10.355 1.00 0.00 N ATOM 0 H LYS A 10 -8.256 0.805 -6.689 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.309 0.718 -9.464 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.560 2.903 -8.673 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.958 2.208 -7.181 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.254 0.936 -8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.880 1.553 -9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.153 3.764 -9.500 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.005 3.471 -7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.774 3.518 -8.652 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.129 1.842 -8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.074 2.065 -10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.654 1.471 -10.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.310 3.095 -10.982 1.00 0.00 H new ATOM 124 N SER A 11 -6.065 -1.334 -8.877 1.00 0.00 N ATOM 125 CA SER A 11 -5.419 -2.601 -8.554 1.00 0.00 C ATOM 126 C SER A 11 -4.035 -2.683 -9.191 1.00 0.00 C ATOM 127 O SER A 11 -3.877 -2.457 -10.390 1.00 0.00 O ATOM 128 CB SER A 11 -6.281 -3.773 -9.027 1.00 0.00 C ATOM 129 OG SER A 11 -6.310 -3.846 -10.442 1.00 0.00 O ATOM 0 H SER A 11 -6.243 -1.193 -9.871 1.00 0.00 H new ATOM 0 HA SER A 11 -5.306 -2.657 -7.471 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.889 -4.705 -8.620 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.295 -3.660 -8.645 1.00 0.00 H new ATOM 0 HG SER A 11 -5.567 -3.324 -10.812 1.00 0.00 H new ATOM 135 N GLY A 12 -3.034 -3.008 -8.378 1.00 0.00 N ATOM 136 CA GLY A 12 -1.676 -3.115 -8.879 1.00 0.00 C ATOM 137 C GLY A 12 -0.757 -3.835 -7.912 1.00 0.00 C ATOM 138 O GLY A 12 -1.147 -4.142 -6.786 1.00 0.00 O ATOM 0 H GLY A 12 -3.139 -3.199 -7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.684 -3.645 -9.831 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.284 -2.117 -9.073 1.00 0.00 H new ATOM 142 N TRP A 13 0.467 -4.105 -8.353 1.00 0.00 N ATOM 143 CA TRP A 13 1.444 -4.795 -7.518 1.00 0.00 C ATOM 144 C TRP A 13 2.306 -3.798 -6.751 1.00 0.00 C ATOM 145 O TRP A 13 2.841 -2.851 -7.329 1.00 0.00 O ATOM 146 CB TRP A 13 2.330 -5.699 -8.377 1.00 0.00 C ATOM 147 CG TRP A 13 1.636 -6.943 -8.842 1.00 0.00 C ATOM 148 CD1 TRP A 13 0.901 -7.094 -9.982 1.00 0.00 C ATOM 149 CD2 TRP A 13 1.611 -8.210 -8.175 1.00 0.00 C ATOM 150 NE1 TRP A 13 0.420 -8.378 -10.065 1.00 0.00 N ATOM 151 CE2 TRP A 13 0.842 -9.083 -8.969 1.00 0.00 C ATOM 152 CE3 TRP A 13 2.164 -8.692 -6.986 1.00 0.00 C ATOM 153 CZ2 TRP A 13 0.614 -10.409 -8.611 1.00 0.00 C ATOM 154 CZ3 TRP A 13 1.937 -10.008 -6.631 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.168 -10.855 -7.441 1.00 0.00 C ATOM 0 H TRP A 13 0.806 -3.857 -9.283 1.00 0.00 H new ATOM 0 HA TRP A 13 0.902 -5.407 -6.797 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.675 -5.138 -9.245 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.215 -5.978 -7.805 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.724 -6.318 -10.712 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.158 -8.747 -10.820 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.758 -8.047 -6.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.021 -11.062 -9.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.359 -10.391 -5.714 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.009 -11.879 -7.136 1.00 0.00 H new ATOM 166 N LEU A 14 2.437 -4.016 -5.448 1.00 0.00 N ATOM 167 CA LEU A 14 3.234 -3.136 -4.601 1.00 0.00 C ATOM 168 C LEU A 14 3.977 -3.933 -3.534 1.00 0.00 C ATOM 169 O LEU A 14 3.464 -4.925 -3.015 1.00 0.00 O ATOM 170 CB LEU A 14 2.341 -2.085 -3.939 1.00 0.00 C ATOM 171 CG LEU A 14 1.527 -1.203 -4.886 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.528 -0.363 -4.106 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.447 -0.314 -5.710 1.00 0.00 C ATOM 0 H LEU A 14 2.001 -4.795 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 14 3.969 -2.635 -5.231 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.651 -2.595 -3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.968 -1.440 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 14 0.973 -1.849 -5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.042 0.258 -4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.152 -1.018 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.061 0.274 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.850 0.307 -6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.028 0.324 -5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.122 -0.935 -6.298 1.00 0.00 H new ATOM 185 N LEU A 15 5.188 -3.493 -3.209 1.00 0.00 N ATOM 186 CA LEU A 15 6.002 -4.164 -2.201 1.00 0.00 C ATOM 187 C LEU A 15 5.549 -3.785 -0.795 1.00 0.00 C ATOM 188 O LEU A 15 5.109 -2.660 -0.556 1.00 0.00 O ATOM 189 CB LEU A 15 7.477 -3.806 -2.388 1.00 0.00 C ATOM 190 CG LEU A 15 8.160 -4.395 -3.623 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.523 -3.757 -3.835 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.291 -5.905 -3.490 1.00 0.00 C ATOM 0 H LEU A 15 5.628 -2.674 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 15 5.877 -5.240 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.564 -2.720 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.024 -4.133 -1.504 1.00 0.00 H new ATOM 0 HG LEU A 15 7.542 -4.179 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.994 -4.189 -4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.404 -2.683 -3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.151 -3.941 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.779 -6.307 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.887 -6.142 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.301 -6.349 -3.388 1.00 0.00 H new ATOM 204 N ARG A 16 5.661 -4.731 0.132 1.00 0.00 N ATOM 205 CA ARG A 16 5.264 -4.496 1.515 1.00 0.00 C ATOM 206 C ARG A 16 6.238 -5.164 2.481 1.00 0.00 C ATOM 207 O ARG A 16 6.524 -6.355 2.364 1.00 0.00 O ATOM 208 CB ARG A 16 3.848 -5.020 1.758 1.00 0.00 C ATOM 209 CG ARG A 16 3.301 -4.683 3.135 1.00 0.00 C ATOM 210 CD ARG A 16 1.944 -5.329 3.369 1.00 0.00 C ATOM 211 NE ARG A 16 2.066 -6.658 3.962 1.00 0.00 N ATOM 212 CZ ARG A 16 2.518 -6.876 5.192 1.00 0.00 C ATOM 213 NH1 ARG A 16 2.889 -5.858 5.955 1.00 0.00 N ATOM 214 NH2 ARG A 16 2.599 -8.115 5.660 1.00 0.00 N ATOM 0 H ARG A 16 6.023 -5.667 -0.050 1.00 0.00 H new ATOM 0 HA ARG A 16 5.281 -3.421 1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.182 -4.606 1.001 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.843 -6.102 1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.002 -5.020 3.899 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.213 -3.601 3.238 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.348 -4.693 4.024 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.409 -5.402 2.422 1.00 0.00 H new ATOM 0 HE ARG A 16 1.789 -7.463 3.401 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.828 -4.904 5.598 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.236 -6.028 6.899 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.314 -8.901 5.075 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.946 -8.282 6.605 1.00 0.00 H new ATOM 228 N GLN A 17 6.744 -4.388 3.435 1.00 0.00 N ATOM 229 CA GLN A 17 7.687 -4.905 4.420 1.00 0.00 C ATOM 230 C GLN A 17 6.952 -5.551 5.590 1.00 0.00 C ATOM 231 O GLN A 17 6.208 -4.886 6.311 1.00 0.00 O ATOM 232 CB GLN A 17 8.593 -3.783 4.928 1.00 0.00 C ATOM 233 CG GLN A 17 9.976 -4.258 5.343 1.00 0.00 C ATOM 234 CD GLN A 17 10.815 -3.151 5.950 1.00 0.00 C ATOM 235 OE1 GLN A 17 11.155 -3.191 7.133 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.155 -2.154 5.142 1.00 0.00 N ATOM 0 H GLN A 17 6.517 -3.400 3.546 1.00 0.00 H new ATOM 0 HA GLN A 17 8.300 -5.665 3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.696 -3.029 4.148 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.114 -3.298 5.779 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.876 -5.070 6.063 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.492 -4.665 4.474 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.852 -2.161 4.168 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.720 -1.381 5.495 1.00 0.00 H new ATOM 245 N SER A 18 7.165 -6.850 5.771 1.00 0.00 N ATOM 246 CA SER A 18 6.519 -7.587 6.852 1.00 0.00 C ATOM 247 C SER A 18 7.249 -7.365 8.173 1.00 0.00 C ATOM 248 O SER A 18 8.271 -6.679 8.224 1.00 0.00 O ATOM 249 CB SER A 18 6.476 -9.081 6.524 1.00 0.00 C ATOM 250 OG SER A 18 5.341 -9.398 5.738 1.00 0.00 O ATOM 0 H SER A 18 7.779 -7.414 5.184 1.00 0.00 H new ATOM 0 HA SER A 18 5.499 -7.215 6.954 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.383 -9.366 5.990 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.455 -9.659 7.448 1.00 0.00 H new ATOM 0 HG SER A 18 5.338 -10.358 5.541 1.00 0.00 H new ATOM 256 N THR A 19 6.717 -7.950 9.241 1.00 0.00 N ATOM 257 CA THR A 19 7.316 -7.817 10.563 1.00 0.00 C ATOM 258 C THR A 19 8.172 -9.031 10.905 1.00 0.00 C ATOM 259 O THR A 19 9.145 -8.925 11.652 1.00 0.00 O ATOM 260 CB THR A 19 6.240 -7.639 11.652 1.00 0.00 C ATOM 261 OG1 THR A 19 5.335 -8.749 11.631 1.00 0.00 O ATOM 262 CG2 THR A 19 5.469 -6.345 11.444 1.00 0.00 C ATOM 0 H THR A 19 5.872 -8.521 9.216 1.00 0.00 H new ATOM 0 HA THR A 19 7.946 -6.928 10.536 1.00 0.00 H new ATOM 0 HB THR A 19 6.738 -7.594 12.621 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.655 -8.630 12.327 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.715 -6.241 12.224 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.157 -5.500 11.489 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.982 -6.365 10.469 1.00 0.00 H new ATOM 270 N ILE A 20 7.805 -10.182 10.352 1.00 0.00 N ATOM 271 CA ILE A 20 8.542 -11.415 10.597 1.00 0.00 C ATOM 272 C ILE A 20 9.624 -11.628 9.544 1.00 0.00 C ATOM 273 O ILE A 20 10.764 -11.963 9.868 1.00 0.00 O ATOM 274 CB ILE A 20 7.605 -12.638 10.609 1.00 0.00 C ATOM 275 CG1 ILE A 20 6.612 -12.536 11.768 1.00 0.00 C ATOM 276 CG2 ILE A 20 8.413 -13.923 10.708 1.00 0.00 C ATOM 277 CD1 ILE A 20 5.610 -13.669 11.807 1.00 0.00 C ATOM 0 H ILE A 20 7.002 -10.286 9.732 1.00 0.00 H new ATOM 0 HA ILE A 20 9.008 -11.314 11.577 1.00 0.00 H new ATOM 0 HB ILE A 20 7.043 -12.656 9.675 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.164 -12.517 12.708 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.076 -11.590 11.694 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.737 -14.778 10.715 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.084 -13.998 9.852 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.998 -13.915 11.628 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.938 -13.531 12.654 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.032 -13.676 10.883 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.137 -14.617 11.912 1.00 0.00 H new ATOM 289 N LEU A 21 9.260 -11.430 8.282 1.00 0.00 N ATOM 290 CA LEU A 21 10.200 -11.598 7.179 1.00 0.00 C ATOM 291 C LEU A 21 11.122 -10.389 7.061 1.00 0.00 C ATOM 292 O LEU A 21 12.225 -10.485 6.522 1.00 0.00 O ATOM 293 CB LEU A 21 9.444 -11.808 5.866 1.00 0.00 C ATOM 294 CG LEU A 21 8.382 -12.908 5.871 1.00 0.00 C ATOM 295 CD1 LEU A 21 7.475 -12.780 4.658 1.00 0.00 C ATOM 296 CD2 LEU A 21 9.037 -14.282 5.907 1.00 0.00 C ATOM 0 H LEU A 21 8.321 -11.153 7.997 1.00 0.00 H new ATOM 0 HA LEU A 21 10.810 -12.478 7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.964 -10.869 5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.169 -12.035 5.085 1.00 0.00 H new ATOM 0 HG LEU A 21 7.773 -12.794 6.768 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.726 -13.571 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.979 -11.810 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.069 -12.867 3.748 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.266 -15.053 5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.671 -14.406 5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.644 -14.372 6.808 1.00 0.00 H new ATOM 308 N LYS A 22 10.664 -9.250 7.569 1.00 0.00 N ATOM 309 CA LYS A 22 11.448 -8.021 7.524 1.00 0.00 C ATOM 310 C LYS A 22 12.123 -7.856 6.166 1.00 0.00 C ATOM 311 O LYS A 22 13.320 -7.582 6.088 1.00 0.00 O ATOM 312 CB LYS A 22 12.502 -8.024 8.633 1.00 0.00 C ATOM 313 CG LYS A 22 12.010 -7.431 9.942 1.00 0.00 C ATOM 314 CD LYS A 22 13.144 -6.791 10.725 1.00 0.00 C ATOM 315 CE LYS A 22 12.880 -6.832 12.223 1.00 0.00 C ATOM 316 NZ LYS A 22 13.033 -8.206 12.776 1.00 0.00 N ATOM 0 H LYS A 22 9.753 -9.152 8.017 1.00 0.00 H new ATOM 0 HA LYS A 22 10.771 -7.181 7.677 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.830 -9.049 8.809 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.374 -7.464 8.295 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.241 -6.686 9.739 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.546 -8.212 10.545 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.077 -7.309 10.505 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.270 -5.757 10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.568 -6.157 12.732 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.872 -6.470 12.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.115 -8.156 13.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.202 -8.777 12.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.889 -8.646 12.382 1.00 0.00 H new ATOM 330 N ARG A 23 11.347 -8.022 5.101 1.00 0.00 N ATOM 331 CA ARG A 23 11.870 -7.891 3.746 1.00 0.00 C ATOM 332 C ARG A 23 10.785 -7.408 2.788 1.00 0.00 C ATOM 333 O ARG A 23 9.600 -7.670 2.995 1.00 0.00 O ATOM 334 CB ARG A 23 12.434 -9.229 3.263 1.00 0.00 C ATOM 335 CG ARG A 23 11.364 -10.246 2.902 1.00 0.00 C ATOM 336 CD ARG A 23 11.875 -11.257 1.888 1.00 0.00 C ATOM 337 NE ARG A 23 12.729 -12.268 2.506 1.00 0.00 N ATOM 338 CZ ARG A 23 13.328 -13.239 1.826 1.00 0.00 C ATOM 339 NH1 ARG A 23 13.168 -13.330 0.513 1.00 0.00 N ATOM 340 NH2 ARG A 23 14.090 -14.121 2.460 1.00 0.00 N ATOM 0 H ARG A 23 10.353 -8.248 5.150 1.00 0.00 H new ATOM 0 HA ARG A 23 12.671 -7.151 3.762 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.066 -9.054 2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.073 -9.647 4.041 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.036 -10.766 3.802 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.493 -9.731 2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.029 -11.744 1.404 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.433 -10.738 1.108 1.00 0.00 H new ATOM 0 HE ARG A 23 12.873 -12.226 3.515 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.584 -12.653 0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.629 -14.077 -0.006 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.216 -14.053 3.470 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.550 -14.867 1.937 1.00 0.00 H new ATOM 354 N TRP A 24 11.198 -6.702 1.742 1.00 0.00 N ATOM 355 CA TRP A 24 10.261 -6.182 0.753 1.00 0.00 C ATOM 356 C TRP A 24 9.761 -7.295 -0.161 1.00 0.00 C ATOM 357 O TRP A 24 10.537 -7.906 -0.895 1.00 0.00 O ATOM 358 CB TRP A 24 10.924 -5.082 -0.078 1.00 0.00 C ATOM 359 CG TRP A 24 11.331 -3.889 0.732 1.00 0.00 C ATOM 360 CD1 TRP A 24 12.574 -3.625 1.234 1.00 0.00 C ATOM 361 CD2 TRP A 24 10.494 -2.800 1.135 1.00 0.00 C ATOM 362 NE1 TRP A 24 12.558 -2.437 1.925 1.00 0.00 N ATOM 363 CE2 TRP A 24 11.294 -1.911 1.878 1.00 0.00 C ATOM 364 CE3 TRP A 24 9.146 -2.489 0.938 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.790 -0.734 2.424 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.646 -1.320 1.482 1.00 0.00 C ATOM 367 CH2 TRP A 24 9.466 -0.454 2.217 1.00 0.00 C ATOM 0 H TRP A 24 12.175 -6.476 1.557 1.00 0.00 H new ATOM 0 HA TRP A 24 9.407 -5.762 1.284 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.803 -5.492 -0.575 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.236 -4.763 -0.861 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.441 -4.256 1.107 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.358 -2.015 2.397 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.506 -3.149 0.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.421 -0.065 2.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.605 -1.070 1.338 1.00 0.00 H new ATOM 0 HH2 TRP A 24 9.046 0.452 2.628 1.00 0.00 H new ATOM 378 N LYS A 25 8.459 -7.555 -0.111 1.00 0.00 N ATOM 379 CA LYS A 25 7.853 -8.594 -0.935 1.00 0.00 C ATOM 380 C LYS A 25 6.694 -8.033 -1.753 1.00 0.00 C ATOM 381 O LYS A 25 5.866 -7.280 -1.240 1.00 0.00 O ATOM 382 CB LYS A 25 7.362 -9.748 -0.058 1.00 0.00 C ATOM 383 CG LYS A 25 6.336 -9.328 0.981 1.00 0.00 C ATOM 384 CD LYS A 25 5.701 -10.532 1.655 1.00 0.00 C ATOM 385 CE LYS A 25 4.499 -10.130 2.497 1.00 0.00 C ATOM 386 NZ LYS A 25 3.977 -11.270 3.300 1.00 0.00 N ATOM 0 H LYS A 25 7.802 -7.060 0.492 1.00 0.00 H new ATOM 0 HA LYS A 25 8.612 -8.967 -1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.927 -10.518 -0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.216 -10.198 0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.814 -8.699 1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.562 -8.725 0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.392 -11.253 0.898 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.439 -11.028 2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.779 -9.315 3.164 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.710 -9.753 1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.866 -10.975 4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.055 -11.568 2.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.645 -12.065 3.249 1.00 0.00 H new ATOM 400 N LYS A 26 6.639 -8.407 -3.027 1.00 0.00 N ATOM 401 CA LYS A 26 5.580 -7.944 -3.915 1.00 0.00 C ATOM 402 C LYS A 26 4.238 -8.558 -3.529 1.00 0.00 C ATOM 403 O LYS A 26 4.130 -9.770 -3.343 1.00 0.00 O ATOM 404 CB LYS A 26 5.914 -8.295 -5.367 1.00 0.00 C ATOM 405 CG LYS A 26 5.316 -7.332 -6.378 1.00 0.00 C ATOM 406 CD LYS A 26 6.251 -6.168 -6.659 1.00 0.00 C ATOM 407 CE LYS A 26 7.403 -6.583 -7.562 1.00 0.00 C ATOM 408 NZ LYS A 26 7.051 -6.458 -9.003 1.00 0.00 N ATOM 0 H LYS A 26 7.316 -9.030 -3.467 1.00 0.00 H new ATOM 0 HA LYS A 26 5.506 -6.861 -3.817 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.997 -8.310 -5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.555 -9.302 -5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.105 -7.863 -7.306 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.365 -6.954 -6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.694 -5.357 -7.128 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.645 -5.782 -5.719 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.274 -5.965 -7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.682 -7.614 -7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.862 -6.750 -9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.235 -7.067 -9.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.810 -5.469 -9.217 1.00 0.00 H new ATOM 422 N ASN A 27 3.218 -7.714 -3.410 1.00 0.00 N ATOM 423 CA ASN A 27 1.883 -8.175 -3.046 1.00 0.00 C ATOM 424 C ASN A 27 0.822 -7.513 -3.920 1.00 0.00 C ATOM 425 O ASN A 27 1.092 -6.520 -4.596 1.00 0.00 O ATOM 426 CB ASN A 27 1.603 -7.880 -1.571 1.00 0.00 C ATOM 427 CG ASN A 27 2.487 -8.688 -0.642 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.385 -8.148 0.004 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.236 -9.990 -0.571 1.00 0.00 N ATOM 0 H ASN A 27 3.290 -6.708 -3.560 1.00 0.00 H new ATOM 0 HA ASN A 27 1.841 -9.252 -3.208 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.756 -6.818 -1.380 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.557 -8.096 -1.352 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.798 -10.585 0.037 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.481 -10.395 -1.125 1.00 0.00 H new ATOM 436 N TRP A 28 -0.384 -8.067 -3.899 1.00 0.00 N ATOM 437 CA TRP A 28 -1.487 -7.530 -4.688 1.00 0.00 C ATOM 438 C TRP A 28 -2.383 -6.640 -3.835 1.00 0.00 C ATOM 439 O TRP A 28 -2.987 -7.098 -2.865 1.00 0.00 O ATOM 440 CB TRP A 28 -2.307 -8.668 -5.297 1.00 0.00 C ATOM 441 CG TRP A 28 -3.280 -8.207 -6.339 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.623 -8.453 -6.373 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.985 -7.421 -7.500 1.00 0.00 C ATOM 444 NE1 TRP A 28 -5.181 -7.867 -7.484 1.00 0.00 N ATOM 445 CE2 TRP A 28 -4.197 -7.228 -8.191 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.816 -6.861 -8.021 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -4.270 -6.500 -9.376 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.890 -6.139 -9.196 1.00 0.00 C ATOM 449 CH2 TRP A 28 -3.110 -5.963 -9.863 1.00 0.00 C ATOM 0 H TRP A 28 -0.624 -8.888 -3.344 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.066 -6.926 -5.491 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.629 -9.398 -5.740 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.851 -9.180 -4.503 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.167 -9.024 -5.635 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -6.168 -7.902 -7.740 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.871 -6.990 -7.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.209 -6.364 -9.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.992 -5.702 -9.608 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.135 -5.392 -10.779 1.00 0.00 H new ATOM 460 N PHE A 29 -2.467 -5.365 -4.203 1.00 0.00 N ATOM 461 CA PHE A 29 -3.290 -4.410 -3.470 1.00 0.00 C ATOM 462 C PHE A 29 -4.557 -4.073 -4.251 1.00 0.00 C ATOM 463 O PHE A 29 -4.576 -4.133 -5.481 1.00 0.00 O ATOM 464 CB PHE A 29 -2.497 -3.133 -3.187 1.00 0.00 C ATOM 465 CG PHE A 29 -1.552 -3.259 -2.026 1.00 0.00 C ATOM 466 CD1 PHE A 29 -0.377 -3.983 -2.147 1.00 0.00 C ATOM 467 CD2 PHE A 29 -1.840 -2.654 -0.813 1.00 0.00 C ATOM 468 CE1 PHE A 29 0.495 -4.100 -1.081 1.00 0.00 C ATOM 469 CE2 PHE A 29 -0.972 -2.768 0.257 1.00 0.00 C ATOM 470 CZ PHE A 29 0.196 -3.493 0.123 1.00 0.00 C ATOM 0 H PHE A 29 -1.975 -4.970 -5.004 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.578 -4.867 -2.524 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.931 -2.861 -4.078 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.194 -2.318 -2.991 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.140 -4.462 -3.086 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.753 -2.087 -0.702 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.409 -4.665 -1.189 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.207 -2.291 1.197 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.874 -3.585 0.958 1.00 0.00 H new ATOM 480 N ASP A 30 -5.614 -3.720 -3.528 1.00 0.00 N ATOM 481 CA ASP A 30 -6.885 -3.372 -4.151 1.00 0.00 C ATOM 482 C ASP A 30 -7.713 -2.477 -3.235 1.00 0.00 C ATOM 483 O ASP A 30 -8.172 -2.909 -2.176 1.00 0.00 O ATOM 484 CB ASP A 30 -7.672 -4.638 -4.495 1.00 0.00 C ATOM 485 CG ASP A 30 -6.925 -5.540 -5.458 1.00 0.00 C ATOM 486 OD1 ASP A 30 -5.978 -6.225 -5.016 1.00 0.00 O ATOM 487 OD2 ASP A 30 -7.288 -5.563 -6.652 1.00 0.00 O ATOM 0 H ASP A 30 -5.615 -3.667 -2.509 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.673 -2.824 -5.069 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.888 -5.188 -3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.631 -4.359 -4.932 1.00 0.00 H new ATOM 492 N LEU A 31 -7.900 -1.228 -3.647 1.00 0.00 N ATOM 493 CA LEU A 31 -8.672 -0.271 -2.863 1.00 0.00 C ATOM 494 C LEU A 31 -10.154 -0.347 -3.216 1.00 0.00 C ATOM 495 O LEU A 31 -10.516 -0.648 -4.353 1.00 0.00 O ATOM 496 CB LEU A 31 -8.152 1.149 -3.098 1.00 0.00 C ATOM 497 CG LEU A 31 -8.648 2.216 -2.122 1.00 0.00 C ATOM 498 CD1 LEU A 31 -7.767 2.256 -0.883 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.686 3.579 -2.796 1.00 0.00 C ATOM 0 H LEU A 31 -7.527 -0.854 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.555 -0.524 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.063 1.127 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.428 1.453 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.661 1.957 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.135 3.021 -0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.791 1.285 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.743 2.490 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.041 4.326 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.684 3.846 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.359 3.543 -3.652 1.00 0.00 H new ATOM 511 N TRP A 32 -11.005 -0.070 -2.235 1.00 0.00 N ATOM 512 CA TRP A 32 -12.448 -0.106 -2.443 1.00 0.00 C ATOM 513 C TRP A 32 -13.008 1.302 -2.611 1.00 0.00 C ATOM 514 O TRP A 32 -12.473 2.264 -2.059 1.00 0.00 O ATOM 515 CB TRP A 32 -13.137 -0.805 -1.269 1.00 0.00 C ATOM 516 CG TRP A 32 -12.837 -2.271 -1.193 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.620 -2.869 -1.359 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.771 -3.325 -0.934 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.742 -4.230 -1.218 1.00 0.00 N ATOM 520 CE2 TRP A 32 -13.051 -4.535 -0.956 1.00 0.00 C ATOM 521 CE3 TRP A 32 -15.145 -3.363 -0.682 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.661 -5.768 -0.738 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.749 -4.587 -0.466 1.00 0.00 C ATOM 524 CH2 TRP A 32 -15.008 -5.776 -0.495 1.00 0.00 C ATOM 0 H TRP A 32 -10.721 0.182 -1.288 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.644 -0.667 -3.356 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.826 -0.329 -0.339 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.215 -0.666 -1.354 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.698 -2.348 -1.570 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.981 -4.904 -1.296 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.725 -2.452 -0.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -13.091 -6.685 -0.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.811 -4.628 -0.271 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.509 -6.717 -0.322 1.00 0.00 H new ATOM 535 N SER A 33 -14.089 1.417 -3.376 1.00 0.00 N ATOM 536 CA SER A 33 -14.720 2.710 -3.620 1.00 0.00 C ATOM 537 C SER A 33 -15.000 3.433 -2.306 1.00 0.00 C ATOM 538 O SER A 33 -14.841 4.650 -2.209 1.00 0.00 O ATOM 539 CB SER A 33 -16.022 2.526 -4.402 1.00 0.00 C ATOM 540 OG SER A 33 -16.293 3.656 -5.213 1.00 0.00 O ATOM 0 H SER A 33 -14.546 0.631 -3.838 1.00 0.00 H new ATOM 0 HA SER A 33 -14.033 3.317 -4.210 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.953 1.635 -5.026 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.847 2.366 -3.708 1.00 0.00 H new ATOM 0 HG SER A 33 -17.129 3.513 -5.704 1.00 0.00 H new ATOM 546 N ASP A 34 -15.417 2.676 -1.298 1.00 0.00 N ATOM 547 CA ASP A 34 -15.719 3.243 0.011 1.00 0.00 C ATOM 548 C ASP A 34 -14.446 3.717 0.704 1.00 0.00 C ATOM 549 O ASP A 34 -14.474 4.649 1.507 1.00 0.00 O ATOM 550 CB ASP A 34 -16.436 2.212 0.884 1.00 0.00 C ATOM 551 CG ASP A 34 -17.754 1.762 0.284 1.00 0.00 C ATOM 552 OD1 ASP A 34 -18.735 2.530 0.364 1.00 0.00 O ATOM 553 OD2 ASP A 34 -17.804 0.641 -0.263 1.00 0.00 O ATOM 0 H ASP A 34 -15.554 1.667 -1.362 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.374 4.102 -0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.789 1.346 1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.616 2.638 1.871 1.00 0.00 H new ATOM 558 N GLY A 35 -13.329 3.068 0.389 1.00 0.00 N ATOM 559 CA GLY A 35 -12.061 3.437 0.991 1.00 0.00 C ATOM 560 C GLY A 35 -11.309 2.240 1.539 1.00 0.00 C ATOM 561 O GLY A 35 -10.080 2.252 1.616 1.00 0.00 O ATOM 0 H GLY A 35 -13.280 2.293 -0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.443 3.942 0.248 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.238 4.150 1.796 1.00 0.00 H new ATOM 565 N HIS A 36 -12.048 1.204 1.921 1.00 0.00 N ATOM 566 CA HIS A 36 -11.444 -0.007 2.466 1.00 0.00 C ATOM 567 C HIS A 36 -10.380 -0.556 1.520 1.00 0.00 C ATOM 568 O HIS A 36 -10.585 -0.616 0.307 1.00 0.00 O ATOM 569 CB HIS A 36 -12.515 -1.068 2.720 1.00 0.00 C ATOM 570 CG HIS A 36 -13.158 -0.959 4.068 1.00 0.00 C ATOM 571 ND1 HIS A 36 -12.754 -1.406 5.280 1.00 0.00 N flip ATOM 572 CD2 HIS A 36 -14.367 -0.330 4.277 1.00 0.00 C flip ATOM 573 CE1 HIS A 36 -13.715 -1.042 6.190 1.00 0.00 C flip ATOM 574 NE2 HIS A 36 -14.678 -0.393 5.559 1.00 0.00 N flip ATOM 0 H HIS A 36 -13.066 1.178 1.863 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.967 0.249 3.412 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.284 -0.987 1.952 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.067 -2.056 2.619 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -14.966 0.141 3.512 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -13.689 -1.252 7.249 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -15.518 -0.007 5.989 1.00 0.00 H new ATOM 583 N LEU A 37 -9.245 -0.955 2.082 1.00 0.00 N ATOM 584 CA LEU A 37 -8.148 -1.499 1.288 1.00 0.00 C ATOM 585 C LEU A 37 -7.870 -2.950 1.666 1.00 0.00 C ATOM 586 O LEU A 37 -7.726 -3.278 2.845 1.00 0.00 O ATOM 587 CB LEU A 37 -6.885 -0.658 1.482 1.00 0.00 C ATOM 588 CG LEU A 37 -5.591 -1.251 0.924 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.614 -1.247 -0.596 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.385 -0.483 1.444 1.00 0.00 C ATOM 0 H LEU A 37 -9.060 -0.912 3.084 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.441 -1.466 0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.045 0.315 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.750 -0.483 2.549 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.512 -2.284 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.685 -1.673 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.456 -1.842 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.717 -0.223 -0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.473 -0.919 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.458 0.560 1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.359 -0.539 2.532 1.00 0.00 H new ATOM 602 N ILE A 38 -7.793 -3.814 0.660 1.00 0.00 N ATOM 603 CA ILE A 38 -7.528 -5.229 0.888 1.00 0.00 C ATOM 604 C ILE A 38 -6.529 -5.772 -0.128 1.00 0.00 C ATOM 605 O ILE A 38 -6.704 -5.608 -1.336 1.00 0.00 O ATOM 606 CB ILE A 38 -8.821 -6.063 0.815 1.00 0.00 C ATOM 607 CG1 ILE A 38 -9.847 -5.543 1.824 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.519 -7.532 1.068 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.203 -6.201 1.701 1.00 0.00 C ATOM 0 H ILE A 38 -7.910 -3.559 -0.321 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.107 -5.313 1.890 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.242 -5.966 -0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.465 -5.702 2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.961 -4.467 1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.443 -8.108 1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.820 -7.895 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.078 -7.647 2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.879 -5.783 2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.606 -6.020 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.103 -7.274 1.863 1.00 0.00 H new ATOM 621 N TYR A 39 -5.481 -6.420 0.369 1.00 0.00 N ATOM 622 CA TYR A 39 -4.452 -6.987 -0.496 1.00 0.00 C ATOM 623 C TYR A 39 -4.415 -8.507 -0.372 1.00 0.00 C ATOM 624 O TYR A 39 -4.859 -9.072 0.628 1.00 0.00 O ATOM 625 CB TYR A 39 -3.083 -6.402 -0.146 1.00 0.00 C ATOM 626 CG TYR A 39 -2.946 -6.010 1.308 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.603 -4.895 1.813 1.00 0.00 C ATOM 628 CD2 TYR A 39 -2.158 -6.756 2.177 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.479 -4.534 3.141 1.00 0.00 C ATOM 630 CE2 TYR A 39 -2.030 -6.402 3.507 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.692 -5.290 3.983 1.00 0.00 C ATOM 632 OH TYR A 39 -2.568 -4.934 5.307 1.00 0.00 O ATOM 0 H TYR A 39 -5.321 -6.566 1.366 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.696 -6.730 -1.527 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.312 -7.132 -0.391 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.902 -5.526 -0.769 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.221 -4.300 1.157 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.637 -7.627 1.807 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.996 -3.664 3.517 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.415 -6.993 4.170 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.388 -4.487 5.604 1.00 0.00 H new ATOM 642 N TYR A 40 -3.881 -9.164 -1.396 1.00 0.00 N ATOM 643 CA TYR A 40 -3.786 -10.619 -1.405 1.00 0.00 C ATOM 644 C TYR A 40 -2.339 -11.069 -1.586 1.00 0.00 C ATOM 645 O TYR A 40 -1.434 -10.246 -1.722 1.00 0.00 O ATOM 646 CB TYR A 40 -4.656 -11.201 -2.521 1.00 0.00 C ATOM 647 CG TYR A 40 -6.008 -10.536 -2.643 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.121 -9.219 -3.071 1.00 0.00 C ATOM 649 CD2 TYR A 40 -7.174 -11.226 -2.331 1.00 0.00 C ATOM 650 CE1 TYR A 40 -7.355 -8.608 -3.183 1.00 0.00 C ATOM 651 CE2 TYR A 40 -8.412 -10.623 -2.442 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.497 -9.314 -2.868 1.00 0.00 C ATOM 653 OH TYR A 40 -9.728 -8.709 -2.980 1.00 0.00 O ATOM 0 H TYR A 40 -3.507 -8.712 -2.230 1.00 0.00 H new ATOM 0 HA TYR A 40 -4.145 -10.987 -0.444 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.127 -11.107 -3.469 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.799 -12.266 -2.341 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.229 -8.663 -3.320 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.111 -12.251 -1.996 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.425 -7.583 -3.515 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.308 -11.174 -2.197 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.429 -9.343 -2.722 1.00 0.00 H new ATOM 663 N ASP A 41 -2.131 -12.381 -1.586 1.00 0.00 N ATOM 664 CA ASP A 41 -0.795 -12.943 -1.751 1.00 0.00 C ATOM 665 C ASP A 41 -0.380 -12.933 -3.219 1.00 0.00 C ATOM 666 O ASP A 41 0.781 -12.683 -3.544 1.00 0.00 O ATOM 667 CB ASP A 41 -0.748 -14.370 -1.204 1.00 0.00 C ATOM 668 CG ASP A 41 0.649 -14.785 -0.787 1.00 0.00 C ATOM 669 OD1 ASP A 41 1.101 -14.346 0.292 1.00 0.00 O ATOM 670 OD2 ASP A 41 1.290 -15.548 -1.538 1.00 0.00 O ATOM 0 H ASP A 41 -2.870 -13.075 -1.474 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.095 -12.324 -1.190 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.418 -14.450 -0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.117 -15.059 -1.963 1.00 0.00 H new ATOM 675 N ASP A 42 -1.334 -13.207 -4.101 1.00 0.00 N ATOM 676 CA ASP A 42 -1.068 -13.230 -5.534 1.00 0.00 C ATOM 677 C ASP A 42 -2.275 -12.727 -6.320 1.00 0.00 C ATOM 678 O ASP A 42 -3.307 -12.390 -5.740 1.00 0.00 O ATOM 679 CB ASP A 42 -0.705 -14.646 -5.984 1.00 0.00 C ATOM 680 CG ASP A 42 -1.428 -15.711 -5.184 1.00 0.00 C ATOM 681 OD1 ASP A 42 -2.449 -15.382 -4.546 1.00 0.00 O ATOM 682 OD2 ASP A 42 -0.971 -16.874 -5.195 1.00 0.00 O ATOM 0 H ASP A 42 -2.300 -13.417 -3.848 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.226 -12.567 -5.733 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.948 -14.762 -7.040 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.371 -14.790 -5.887 1.00 0.00 H new ATOM 687 N GLN A 43 -2.136 -12.678 -7.641 1.00 0.00 N ATOM 688 CA GLN A 43 -3.216 -12.214 -8.505 1.00 0.00 C ATOM 689 C GLN A 43 -4.398 -13.176 -8.463 1.00 0.00 C ATOM 690 O GLN A 43 -5.499 -12.844 -8.904 1.00 0.00 O ATOM 691 CB GLN A 43 -2.717 -12.063 -9.943 1.00 0.00 C ATOM 692 CG GLN A 43 -3.713 -11.377 -10.863 1.00 0.00 C ATOM 693 CD GLN A 43 -4.694 -12.349 -11.488 1.00 0.00 C ATOM 694 OE1 GLN A 43 -5.909 -12.174 -11.387 1.00 0.00 O ATOM 695 NE2 GLN A 43 -4.172 -13.382 -12.140 1.00 0.00 N ATOM 0 H GLN A 43 -1.288 -12.953 -8.136 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.549 -11.243 -8.139 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.787 -11.494 -9.938 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.485 -13.050 -10.344 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.263 -10.623 -10.300 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.173 -10.854 -11.652 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.159 -13.489 -12.199 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.784 -14.068 -12.581 1.00 0.00 H new ATOM 704 N THR A 44 -4.164 -14.371 -7.929 1.00 0.00 N ATOM 705 CA THR A 44 -5.209 -15.383 -7.831 1.00 0.00 C ATOM 706 C THR A 44 -6.295 -14.957 -6.850 1.00 0.00 C ATOM 707 O THR A 44 -7.437 -15.408 -6.941 1.00 0.00 O ATOM 708 CB THR A 44 -4.636 -16.742 -7.388 1.00 0.00 C ATOM 709 OG1 THR A 44 -3.967 -16.604 -6.129 1.00 0.00 O ATOM 710 CG2 THR A 44 -3.666 -17.285 -8.426 1.00 0.00 C ATOM 0 H THR A 44 -3.260 -14.662 -7.558 1.00 0.00 H new ATOM 0 HA THR A 44 -5.642 -15.488 -8.826 1.00 0.00 H new ATOM 0 HB THR A 44 -5.463 -17.444 -7.285 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.748 -15.661 -5.977 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.274 -18.245 -8.091 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.185 -17.416 -9.376 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.842 -16.583 -8.557 1.00 0.00 H new ATOM 718 N ARG A 45 -5.933 -14.087 -5.914 1.00 0.00 N ATOM 719 CA ARG A 45 -6.877 -13.601 -4.915 1.00 0.00 C ATOM 720 C ARG A 45 -7.489 -14.762 -4.136 1.00 0.00 C ATOM 721 O ARG A 45 -8.618 -14.671 -3.655 1.00 0.00 O ATOM 722 CB ARG A 45 -7.983 -12.783 -5.584 1.00 0.00 C ATOM 723 CG ARG A 45 -7.521 -11.421 -6.076 1.00 0.00 C ATOM 724 CD ARG A 45 -8.670 -10.427 -6.126 1.00 0.00 C ATOM 725 NE ARG A 45 -8.386 -9.307 -7.019 1.00 0.00 N ATOM 726 CZ ARG A 45 -8.557 -9.354 -8.335 1.00 0.00 C ATOM 727 NH1 ARG A 45 -9.008 -10.461 -8.909 1.00 0.00 N ATOM 728 NH2 ARG A 45 -8.276 -8.293 -9.081 1.00 0.00 N ATOM 0 H ARG A 45 -4.992 -13.704 -5.826 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.334 -12.964 -4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.382 -13.348 -6.426 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.801 -12.646 -4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.739 -11.042 -5.418 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.082 -11.521 -7.069 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.575 -10.935 -6.459 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.867 -10.050 -5.123 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.037 -8.441 -6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.224 -11.279 -8.339 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.138 -10.494 -9.920 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.928 -7.440 -8.644 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.408 -8.331 -10.092 1.00 0.00 H new ATOM 742 N GLN A 46 -6.735 -15.849 -4.015 1.00 0.00 N ATOM 743 CA GLN A 46 -7.204 -17.028 -3.295 1.00 0.00 C ATOM 744 C GLN A 46 -6.784 -16.973 -1.830 1.00 0.00 C ATOM 745 O GLN A 46 -7.443 -17.549 -0.964 1.00 0.00 O ATOM 746 CB GLN A 46 -6.659 -18.300 -3.947 1.00 0.00 C ATOM 747 CG GLN A 46 -7.255 -18.585 -5.316 1.00 0.00 C ATOM 748 CD GLN A 46 -8.543 -19.381 -5.237 1.00 0.00 C ATOM 749 OE1 GLN A 46 -9.264 -19.321 -4.241 1.00 0.00 O ATOM 750 NE2 GLN A 46 -8.840 -20.133 -6.291 1.00 0.00 N ATOM 0 H GLN A 46 -5.797 -15.939 -4.406 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.293 -17.043 -3.342 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.576 -18.215 -4.042 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.856 -19.148 -3.291 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -7.446 -17.642 -5.829 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.530 -19.133 -5.917 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.214 -20.153 -7.096 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.694 -20.690 -6.295 1.00 0.00 H new ATOM 759 N SER A 47 -5.685 -16.277 -1.560 1.00 0.00 N ATOM 760 CA SER A 47 -5.175 -16.150 -0.200 1.00 0.00 C ATOM 761 C SER A 47 -5.120 -14.686 0.226 1.00 0.00 C ATOM 762 O SER A 47 -4.311 -13.910 -0.283 1.00 0.00 O ATOM 763 CB SER A 47 -3.783 -16.776 -0.094 1.00 0.00 C ATOM 764 OG SER A 47 -3.549 -17.283 1.209 1.00 0.00 O ATOM 0 H SER A 47 -5.130 -15.792 -2.265 1.00 0.00 H new ATOM 0 HA SER A 47 -5.856 -16.679 0.467 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.686 -17.580 -0.823 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.026 -16.031 -0.339 1.00 0.00 H new ATOM 0 HG SER A 47 -2.654 -17.679 1.250 1.00 0.00 H new ATOM 770 N ILE A 48 -5.987 -14.316 1.163 1.00 0.00 N ATOM 771 CA ILE A 48 -6.038 -12.946 1.658 1.00 0.00 C ATOM 772 C ILE A 48 -4.874 -12.659 2.601 1.00 0.00 C ATOM 773 O ILE A 48 -4.622 -13.415 3.538 1.00 0.00 O ATOM 774 CB ILE A 48 -7.361 -12.662 2.393 1.00 0.00 C ATOM 775 CG1 ILE A 48 -8.540 -12.765 1.424 1.00 0.00 C ATOM 776 CG2 ILE A 48 -7.321 -11.287 3.043 1.00 0.00 C ATOM 777 CD1 ILE A 48 -8.505 -11.734 0.317 1.00 0.00 C ATOM 0 H ILE A 48 -6.663 -14.946 1.594 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.968 -12.293 0.788 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.492 -13.409 3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.550 -13.761 0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -9.470 -12.655 1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.263 -11.101 3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.501 -11.247 3.760 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.170 -10.527 2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -9.371 -11.867 -0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -8.526 -10.734 0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.593 -11.857 -0.266 1.00 0.00 H new ATOM 789 N GLU A 49 -4.169 -11.562 2.345 1.00 0.00 N ATOM 790 CA GLU A 49 -3.032 -11.175 3.172 1.00 0.00 C ATOM 791 C GLU A 49 -3.498 -10.449 4.431 1.00 0.00 C ATOM 792 O GLU A 49 -3.103 -10.799 5.544 1.00 0.00 O ATOM 793 CB GLU A 49 -2.077 -10.281 2.378 1.00 0.00 C ATOM 794 CG GLU A 49 -1.012 -11.052 1.617 1.00 0.00 C ATOM 795 CD GLU A 49 0.069 -11.605 2.525 1.00 0.00 C ATOM 796 OE1 GLU A 49 -0.148 -11.640 3.754 1.00 0.00 O ATOM 797 OE2 GLU A 49 1.133 -12.003 2.005 1.00 0.00 O ATOM 0 H GLU A 49 -4.365 -10.926 1.572 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.506 -12.082 3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.654 -9.683 1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.591 -9.585 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.481 -11.873 1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.557 -10.398 0.873 1.00 0.00 H new ATOM 804 N ASP A 50 -4.338 -9.437 4.247 1.00 0.00 N ATOM 805 CA ASP A 50 -4.858 -8.662 5.368 1.00 0.00 C ATOM 806 C ASP A 50 -5.904 -7.657 4.894 1.00 0.00 C ATOM 807 O ASP A 50 -6.225 -7.591 3.708 1.00 0.00 O ATOM 808 CB ASP A 50 -3.720 -7.932 6.083 1.00 0.00 C ATOM 809 CG ASP A 50 -4.032 -7.661 7.541 1.00 0.00 C ATOM 810 OD1 ASP A 50 -3.755 -8.543 8.382 1.00 0.00 O ATOM 811 OD2 ASP A 50 -4.553 -6.568 7.843 1.00 0.00 O ATOM 0 H ASP A 50 -4.674 -9.134 3.333 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.332 -9.352 6.066 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.810 -8.528 6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.522 -6.988 5.575 1.00 0.00 H new ATOM 816 N LYS A 51 -6.433 -6.877 5.830 1.00 0.00 N ATOM 817 CA LYS A 51 -7.443 -5.875 5.510 1.00 0.00 C ATOM 818 C LYS A 51 -7.319 -4.665 6.430 1.00 0.00 C ATOM 819 O LYS A 51 -7.113 -4.807 7.636 1.00 0.00 O ATOM 820 CB LYS A 51 -8.845 -6.478 5.629 1.00 0.00 C ATOM 821 CG LYS A 51 -9.911 -5.467 6.013 1.00 0.00 C ATOM 822 CD LYS A 51 -11.277 -6.120 6.146 1.00 0.00 C ATOM 823 CE LYS A 51 -11.794 -6.608 4.802 1.00 0.00 C ATOM 824 NZ LYS A 51 -13.090 -7.330 4.935 1.00 0.00 N ATOM 0 H LYS A 51 -6.179 -6.919 6.817 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.281 -5.547 4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.116 -6.936 4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.827 -7.275 6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.640 -4.992 6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.955 -4.680 5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.215 -6.959 6.839 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.983 -5.407 6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.919 -5.758 4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.056 -7.268 4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.409 -7.647 3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.965 -8.155 5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.802 -6.693 5.346 1.00 0.00 H new ATOM 838 N VAL A 52 -7.449 -3.473 5.855 1.00 0.00 N ATOM 839 CA VAL A 52 -7.354 -2.238 6.624 1.00 0.00 C ATOM 840 C VAL A 52 -8.052 -1.089 5.906 1.00 0.00 C ATOM 841 O VAL A 52 -8.149 -1.077 4.678 1.00 0.00 O ATOM 842 CB VAL A 52 -5.886 -1.850 6.883 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.790 -0.406 7.350 1.00 0.00 C ATOM 844 CG2 VAL A 52 -5.259 -2.791 7.901 1.00 0.00 C ATOM 0 H VAL A 52 -7.620 -3.337 4.859 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.848 -2.420 7.578 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.333 -1.942 5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.746 -0.150 7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.200 0.252 6.584 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.356 -0.284 8.274 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.222 -2.503 8.072 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.812 -2.733 8.839 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.294 -3.812 7.522 1.00 0.00 H new ATOM 854 N HIS A 53 -8.539 -0.124 6.680 1.00 0.00 N ATOM 855 CA HIS A 53 -9.228 1.032 6.117 1.00 0.00 C ATOM 856 C HIS A 53 -8.283 2.224 5.997 1.00 0.00 C ATOM 857 O HIS A 53 -7.188 2.218 6.559 1.00 0.00 O ATOM 858 CB HIS A 53 -10.431 1.406 6.984 1.00 0.00 C ATOM 859 CG HIS A 53 -11.595 1.929 6.200 1.00 0.00 C ATOM 860 ND1 HIS A 53 -12.816 2.221 6.769 1.00 0.00 N ATOM 861 CD2 HIS A 53 -11.719 2.214 4.882 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.641 2.662 5.836 1.00 0.00 C ATOM 863 NE2 HIS A 53 -12.999 2.667 4.682 1.00 0.00 N ATOM 0 H HIS A 53 -8.469 -0.120 7.698 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.576 0.766 5.119 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.748 0.529 7.548 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.125 2.159 7.710 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -10.953 2.105 4.128 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.666 2.966 5.991 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.391 2.960 3.787 1.00 0.00 H new ATOM 872 N MET A 54 -8.714 3.243 5.262 1.00 0.00 N ATOM 873 CA MET A 54 -7.906 4.441 5.069 1.00 0.00 C ATOM 874 C MET A 54 -8.425 5.591 5.926 1.00 0.00 C ATOM 875 O MET A 54 -7.793 6.009 6.896 1.00 0.00 O ATOM 876 CB MET A 54 -7.904 4.849 3.595 1.00 0.00 C ATOM 877 CG MET A 54 -6.716 4.308 2.816 1.00 0.00 C ATOM 878 SD MET A 54 -5.135 4.851 3.493 1.00 0.00 S ATOM 879 CE MET A 54 -5.236 6.617 3.211 1.00 0.00 C ATOM 0 H MET A 54 -9.618 3.263 4.790 1.00 0.00 H new ATOM 0 HA MET A 54 -6.885 4.214 5.377 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.824 4.498 3.128 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.907 5.937 3.528 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.752 3.219 2.817 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.791 4.629 1.777 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.231 7.036 3.166 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.751 6.806 2.269 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.788 7.085 4.026 1.00 0.00 H new ATOM 889 N PRO A 55 -9.604 6.117 5.561 1.00 0.00 N ATOM 890 CA PRO A 55 -10.234 7.225 6.284 1.00 0.00 C ATOM 891 C PRO A 55 -10.735 6.808 7.663 1.00 0.00 C ATOM 892 O PRO A 55 -11.335 7.606 8.384 1.00 0.00 O ATOM 893 CB PRO A 55 -11.409 7.614 5.383 1.00 0.00 C ATOM 894 CG PRO A 55 -11.725 6.376 4.617 1.00 0.00 C ATOM 895 CD PRO A 55 -10.413 5.668 4.416 1.00 0.00 C ATOM 0 HA PRO A 55 -9.534 8.040 6.471 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.265 7.946 5.970 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.142 8.435 4.717 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.428 5.747 5.164 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.189 6.616 3.661 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.537 4.585 4.412 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.951 5.939 3.467 1.00 0.00 H new ATOM 903 N VAL A 56 -10.485 5.554 8.024 1.00 0.00 N ATOM 904 CA VAL A 56 -10.909 5.031 9.317 1.00 0.00 C ATOM 905 C VAL A 56 -9.719 4.518 10.120 1.00 0.00 C ATOM 906 O VAL A 56 -9.569 4.836 11.300 1.00 0.00 O ATOM 907 CB VAL A 56 -11.934 3.893 9.154 1.00 0.00 C ATOM 908 CG1 VAL A 56 -12.028 3.071 10.430 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.295 4.452 8.769 1.00 0.00 C ATOM 0 H VAL A 56 -9.991 4.881 7.439 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.377 5.856 9.854 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.596 3.237 8.352 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.757 2.272 10.295 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.054 2.639 10.657 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.341 3.712 11.254 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.006 3.634 8.658 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.642 5.132 9.547 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.213 4.992 7.826 1.00 0.00 H new ATOM 919 N ASP A 57 -8.875 3.722 9.472 1.00 0.00 N ATOM 920 CA ASP A 57 -7.696 3.165 10.125 1.00 0.00 C ATOM 921 C ASP A 57 -6.481 4.061 9.909 1.00 0.00 C ATOM 922 O ASP A 57 -5.754 4.376 10.852 1.00 0.00 O ATOM 923 CB ASP A 57 -7.409 1.759 9.595 1.00 0.00 C ATOM 924 CG ASP A 57 -8.076 0.680 10.425 1.00 0.00 C ATOM 925 OD1 ASP A 57 -9.120 0.969 11.046 1.00 0.00 O ATOM 926 OD2 ASP A 57 -7.553 -0.454 10.455 1.00 0.00 O ATOM 0 H ASP A 57 -8.985 3.448 8.496 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.897 3.107 11.195 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.754 1.685 8.564 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.332 1.591 9.584 1.00 0.00 H new ATOM 931 N CYS A 58 -6.267 4.468 8.663 1.00 0.00 N ATOM 932 CA CYS A 58 -5.138 5.327 8.323 1.00 0.00 C ATOM 933 C CYS A 58 -5.409 6.770 8.737 1.00 0.00 C ATOM 934 O CYS A 58 -6.544 7.242 8.671 1.00 0.00 O ATOM 935 CB CYS A 58 -4.853 5.259 6.822 1.00 0.00 C ATOM 936 SG CYS A 58 -3.494 6.321 6.279 1.00 0.00 S ATOM 0 H CYS A 58 -6.860 4.217 7.872 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.264 4.970 8.868 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.624 4.228 6.553 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.756 5.537 6.279 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.401 5.976 6.893 1.00 0.00 H new ATOM 942 N ILE A 59 -4.359 7.464 9.164 1.00 0.00 N ATOM 943 CA ILE A 59 -4.484 8.853 9.589 1.00 0.00 C ATOM 944 C ILE A 59 -3.475 9.741 8.870 1.00 0.00 C ATOM 945 O ILE A 59 -3.726 10.923 8.640 1.00 0.00 O ATOM 946 CB ILE A 59 -4.286 8.996 11.110 1.00 0.00 C ATOM 947 CG1 ILE A 59 -2.983 8.320 11.542 1.00 0.00 C ATOM 948 CG2 ILE A 59 -5.471 8.402 11.857 1.00 0.00 C ATOM 949 CD1 ILE A 59 -2.423 8.861 12.839 1.00 0.00 C ATOM 0 H ILE A 59 -3.413 7.087 9.225 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.494 9.173 9.331 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.222 10.056 11.355 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.157 7.249 11.649 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.240 8.445 10.755 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.316 8.511 12.930 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.383 8.924 11.567 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.564 7.345 11.609 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.500 8.336 13.084 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.217 9.926 12.730 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.148 8.712 13.639 1.00 0.00 H new ATOM 961 N ASN A 60 -2.332 9.162 8.516 1.00 0.00 N ATOM 962 CA ASN A 60 -1.284 9.900 7.821 1.00 0.00 C ATOM 963 C ASN A 60 -0.591 9.019 6.787 1.00 0.00 C ATOM 964 O ASN A 60 -0.632 7.791 6.876 1.00 0.00 O ATOM 965 CB ASN A 60 -0.257 10.434 8.823 1.00 0.00 C ATOM 966 CG ASN A 60 0.423 11.698 8.335 1.00 0.00 C ATOM 967 OD1 ASN A 60 -0.166 12.779 8.349 1.00 0.00 O ATOM 968 ND2 ASN A 60 1.671 11.568 7.900 1.00 0.00 N ATOM 0 H ASN A 60 -2.108 8.184 8.699 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.748 10.740 7.304 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.751 10.634 9.774 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.496 9.669 9.010 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.180 12.384 7.560 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.121 10.652 7.906 1.00 0.00 H new ATOM 975 N ILE A 61 0.044 9.653 5.807 1.00 0.00 N ATOM 976 CA ILE A 61 0.747 8.926 4.757 1.00 0.00 C ATOM 977 C ILE A 61 2.154 9.478 4.554 1.00 0.00 C ATOM 978 O ILE A 61 2.328 10.601 4.080 1.00 0.00 O ATOM 979 CB ILE A 61 -0.016 8.990 3.421 1.00 0.00 C ATOM 980 CG1 ILE A 61 -1.442 8.466 3.597 1.00 0.00 C ATOM 981 CG2 ILE A 61 0.719 8.194 2.353 1.00 0.00 C ATOM 982 CD1 ILE A 61 -2.428 9.050 2.609 1.00 0.00 C ATOM 0 H ILE A 61 0.086 10.668 5.718 1.00 0.00 H new ATOM 0 HA ILE A 61 0.810 7.887 5.080 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.069 10.030 3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.437 7.381 3.494 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.780 8.689 4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.167 8.249 1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.717 8.609 2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.800 7.153 2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.418 8.633 2.793 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.463 10.133 2.727 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.115 8.805 1.594 1.00 0.00 H new ATOM 994 N ARG A 62 3.154 8.681 4.913 1.00 0.00 N ATOM 995 CA ARG A 62 4.546 9.089 4.769 1.00 0.00 C ATOM 996 C ARG A 62 5.102 8.660 3.414 1.00 0.00 C ATOM 997 O ARG A 62 5.146 7.471 3.097 1.00 0.00 O ATOM 998 CB ARG A 62 5.394 8.491 5.893 1.00 0.00 C ATOM 999 CG ARG A 62 4.765 8.627 7.269 1.00 0.00 C ATOM 1000 CD ARG A 62 5.802 8.485 8.372 1.00 0.00 C ATOM 1001 NE ARG A 62 5.314 8.996 9.651 1.00 0.00 N ATOM 1002 CZ ARG A 62 5.125 10.286 9.903 1.00 0.00 C ATOM 1003 NH1 ARG A 62 5.381 11.192 8.969 1.00 0.00 N ATOM 1004 NH2 ARG A 62 4.678 10.673 11.091 1.00 0.00 N ATOM 0 H ARG A 62 3.026 7.748 5.306 1.00 0.00 H new ATOM 0 HA ARG A 62 4.587 10.176 4.831 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.566 7.435 5.684 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.369 8.978 5.899 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.275 9.597 7.352 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.993 7.868 7.394 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.074 7.435 8.481 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.708 9.021 8.089 1.00 0.00 H new ATOM 0 HE ARG A 62 5.107 8.325 10.391 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.724 10.899 8.054 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.235 12.182 9.165 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.479 9.979 11.812 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.533 11.664 11.283 1.00 0.00 H new ATOM 1018 N THR A 63 5.525 9.637 2.617 1.00 0.00 N ATOM 1019 CA THR A 63 6.076 9.361 1.296 1.00 0.00 C ATOM 1020 C THR A 63 7.267 10.264 0.998 1.00 0.00 C ATOM 1021 O THR A 63 7.223 11.468 1.245 1.00 0.00 O ATOM 1022 CB THR A 63 5.015 9.549 0.195 1.00 0.00 C ATOM 1023 OG1 THR A 63 4.688 10.936 0.061 1.00 0.00 O ATOM 1024 CG2 THR A 63 3.757 8.755 0.514 1.00 0.00 C ATOM 0 H THR A 63 5.496 10.626 2.864 1.00 0.00 H new ATOM 0 HA THR A 63 6.404 8.322 1.301 1.00 0.00 H new ATOM 0 HB THR A 63 5.429 9.182 -0.744 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.280 11.093 -0.816 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.022 8.904 -0.278 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.004 7.696 0.586 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.342 9.096 1.463 1.00 0.00 H new ATOM 1032 N GLY A 64 8.332 9.673 0.464 1.00 0.00 N ATOM 1033 CA GLY A 64 9.521 10.440 0.140 1.00 0.00 C ATOM 1034 C GLY A 64 10.430 10.633 1.338 1.00 0.00 C ATOM 1035 O GLY A 64 10.990 9.671 1.863 1.00 0.00 O ATOM 0 H GLY A 64 8.393 8.678 0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.072 9.933 -0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.226 11.414 -0.249 1.00 0.00 H new ATOM 1039 N HIS A 65 10.580 11.882 1.770 1.00 0.00 N ATOM 1040 CA HIS A 65 11.429 12.199 2.912 1.00 0.00 C ATOM 1041 C HIS A 65 10.633 12.142 4.213 1.00 0.00 C ATOM 1042 O HIS A 65 10.919 12.875 5.158 1.00 0.00 O ATOM 1043 CB HIS A 65 12.053 13.584 2.742 1.00 0.00 C ATOM 1044 CG HIS A 65 13.113 13.638 1.686 1.00 0.00 C ATOM 1045 ND1 HIS A 65 12.977 13.040 0.451 1.00 0.00 N ATOM 1046 CD2 HIS A 65 14.333 14.226 1.685 1.00 0.00 C ATOM 1047 CE1 HIS A 65 14.067 13.256 -0.263 1.00 0.00 C ATOM 1048 NE2 HIS A 65 14.905 13.974 0.463 1.00 0.00 N ATOM 0 H HIS A 65 10.124 12.690 1.346 1.00 0.00 H new ATOM 0 HA HIS A 65 12.224 11.455 2.960 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.268 14.299 2.494 1.00 0.00 H new ATOM 0 HB3 HIS A 65 12.483 13.899 3.693 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.774 14.788 2.495 1.00 0.00 H new ATOM 0 HE1 HIS A 65 14.243 12.905 -1.269 1.00 0.00 H new ATOM 0 HE2 HIS A 65 15.828 14.290 0.164 1.00 0.00 H new ATOM 1057 N GLU A 66 9.633 11.267 4.252 1.00 0.00 N ATOM 1058 CA GLU A 66 8.796 11.116 5.436 1.00 0.00 C ATOM 1059 C GLU A 66 9.076 9.789 6.135 1.00 0.00 C ATOM 1060 O GLU A 66 8.858 9.652 7.340 1.00 0.00 O ATOM 1061 CB GLU A 66 7.316 11.203 5.056 1.00 0.00 C ATOM 1062 CG GLU A 66 6.928 12.527 4.418 1.00 0.00 C ATOM 1063 CD GLU A 66 5.458 12.852 4.598 1.00 0.00 C ATOM 1064 OE1 GLU A 66 4.964 12.756 5.740 1.00 0.00 O ATOM 1065 OE2 GLU A 66 4.802 13.202 3.594 1.00 0.00 O ATOM 0 H GLU A 66 9.383 10.652 3.477 1.00 0.00 H new ATOM 0 HA GLU A 66 9.035 11.927 6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.079 10.393 4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.711 11.048 5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.529 13.326 4.853 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.162 12.496 3.354 1.00 0.00 H new ATOM 1072 N CYS A 67 9.558 8.815 5.372 1.00 0.00 N ATOM 1073 CA CYS A 67 9.867 7.498 5.917 1.00 0.00 C ATOM 1074 C CYS A 67 11.278 7.466 6.496 1.00 0.00 C ATOM 1075 O CYS A 67 12.262 7.453 5.756 1.00 0.00 O ATOM 1076 CB CYS A 67 9.722 6.428 4.834 1.00 0.00 C ATOM 1077 SG CYS A 67 8.458 6.798 3.595 1.00 0.00 S ATOM 0 H CYS A 67 9.743 8.912 4.374 1.00 0.00 H new ATOM 0 HA CYS A 67 9.160 7.289 6.720 1.00 0.00 H new ATOM 0 HB2 CYS A 67 10.681 6.302 4.332 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.483 5.476 5.308 1.00 0.00 H new ATOM 0 HG CYS A 67 7.307 6.948 4.181 1.00 0.00 H new ATOM 1083 N ARG A 68 11.368 7.455 7.821 1.00 0.00 N ATOM 1084 CA ARG A 68 12.658 7.427 8.499 1.00 0.00 C ATOM 1085 C ARG A 68 12.769 6.207 9.409 1.00 0.00 C ATOM 1086 O ARG A 68 13.830 5.932 9.970 1.00 0.00 O ATOM 1087 CB ARG A 68 12.857 8.706 9.316 1.00 0.00 C ATOM 1088 CG ARG A 68 11.970 8.785 10.548 1.00 0.00 C ATOM 1089 CD ARG A 68 11.924 10.197 11.111 1.00 0.00 C ATOM 1090 NE ARG A 68 10.868 10.355 12.107 1.00 0.00 N ATOM 1091 CZ ARG A 68 9.598 10.594 11.800 1.00 0.00 C ATOM 1092 NH1 ARG A 68 9.228 10.701 10.532 1.00 0.00 N ATOM 1093 NH2 ARG A 68 8.695 10.725 12.764 1.00 0.00 N ATOM 0 H ARG A 68 10.563 7.465 8.447 1.00 0.00 H new ATOM 0 HA ARG A 68 13.437 7.364 7.740 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.900 8.771 9.625 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.658 9.568 8.680 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.961 8.461 10.293 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.342 8.100 11.310 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.886 10.439 11.562 1.00 0.00 H new ATOM 0 HD3 ARG A 68 11.765 10.906 10.299 1.00 0.00 H new ATOM 0 HE ARG A 68 11.119 10.278 13.093 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.919 10.600 9.789 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.252 10.885 10.299 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.976 10.642 13.741 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.720 10.909 12.528 1.00 0.00 H new ATOM 1107 N ASP A 69 11.666 5.480 9.552 1.00 0.00 N ATOM 1108 CA ASP A 69 11.638 4.290 10.393 1.00 0.00 C ATOM 1109 C ASP A 69 11.725 3.024 9.546 1.00 0.00 C ATOM 1110 O ASP A 69 11.639 1.911 10.066 1.00 0.00 O ATOM 1111 CB ASP A 69 10.364 4.266 11.238 1.00 0.00 C ATOM 1112 CG ASP A 69 10.453 5.180 12.445 1.00 0.00 C ATOM 1113 OD1 ASP A 69 11.077 4.778 13.449 1.00 0.00 O ATOM 1114 OD2 ASP A 69 9.897 6.297 12.386 1.00 0.00 O ATOM 0 H ASP A 69 10.779 5.695 9.096 1.00 0.00 H new ATOM 0 HA ASP A 69 12.503 4.323 11.055 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.517 4.565 10.621 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.172 3.246 11.571 1.00 0.00 H new ATOM 1119 N ILE A 70 11.895 3.202 8.240 1.00 0.00 N ATOM 1120 CA ILE A 70 11.994 2.074 7.322 1.00 0.00 C ATOM 1121 C ILE A 70 13.247 2.176 6.459 1.00 0.00 C ATOM 1122 O ILE A 70 14.046 3.098 6.616 1.00 0.00 O ATOM 1123 CB ILE A 70 10.759 1.985 6.406 1.00 0.00 C ATOM 1124 CG1 ILE A 70 10.913 2.930 5.213 1.00 0.00 C ATOM 1125 CG2 ILE A 70 9.495 2.311 7.188 1.00 0.00 C ATOM 1126 CD1 ILE A 70 9.741 2.891 4.257 1.00 0.00 C ATOM 0 H ILE A 70 11.967 4.116 7.794 1.00 0.00 H new ATOM 0 HA ILE A 70 12.049 1.173 7.933 1.00 0.00 H new ATOM 0 HB ILE A 70 10.677 0.965 6.029 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.038 3.949 5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.823 2.672 4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.631 2.244 6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 70 9.381 1.601 8.008 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.566 3.322 7.590 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.918 3.585 3.436 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.628 1.882 3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.831 3.178 4.785 1.00 0.00 H new ATOM 1138 N GLN A 71 13.409 1.222 5.548 1.00 0.00 N ATOM 1139 CA GLN A 71 14.565 1.206 4.659 1.00 0.00 C ATOM 1140 C GLN A 71 14.184 0.675 3.280 1.00 0.00 C ATOM 1141 O GLN A 71 13.682 -0.439 3.134 1.00 0.00 O ATOM 1142 CB GLN A 71 15.683 0.349 5.256 1.00 0.00 C ATOM 1143 CG GLN A 71 15.176 -0.829 6.073 1.00 0.00 C ATOM 1144 CD GLN A 71 16.195 -1.946 6.179 1.00 0.00 C ATOM 1145 OE1 GLN A 71 16.683 -2.455 5.170 1.00 0.00 O ATOM 1146 NE2 GLN A 71 16.521 -2.335 7.406 1.00 0.00 N ATOM 0 H GLN A 71 12.756 0.451 5.406 1.00 0.00 H new ATOM 0 HA GLN A 71 14.921 2.230 4.549 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.314 -0.024 4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.312 0.976 5.889 1.00 0.00 H new ATOM 0 HG2 GLN A 71 14.913 -0.486 7.074 1.00 0.00 H new ATOM 0 HG3 GLN A 71 14.264 -1.216 5.619 1.00 0.00 H new ATOM 0 HE21 GLN A 71 16.092 -1.885 8.215 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.201 -3.084 7.540 1.00 0.00 H new ATOM 1155 N PRO A 72 14.426 1.491 2.244 1.00 0.00 N ATOM 1156 CA PRO A 72 14.116 1.125 0.859 1.00 0.00 C ATOM 1157 C PRO A 72 15.030 0.024 0.332 1.00 0.00 C ATOM 1158 O PRO A 72 16.203 -0.069 0.694 1.00 0.00 O ATOM 1159 CB PRO A 72 14.348 2.427 0.087 1.00 0.00 C ATOM 1160 CG PRO A 72 15.325 3.189 0.915 1.00 0.00 C ATOM 1161 CD PRO A 72 15.023 2.834 2.344 1.00 0.00 C ATOM 0 HA PRO A 72 13.106 0.728 0.759 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.742 2.231 -0.910 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.419 2.983 -0.041 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.349 2.922 0.655 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.224 4.262 0.750 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.925 2.828 2.956 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.335 3.547 2.798 1.00 0.00 H new ATOM 1169 N PRO A 73 14.482 -0.831 -0.545 1.00 0.00 N ATOM 1170 CA PRO A 73 15.231 -1.941 -1.141 1.00 0.00 C ATOM 1171 C PRO A 73 16.294 -1.461 -2.124 1.00 0.00 C ATOM 1172 O PRO A 73 16.026 -0.621 -2.983 1.00 0.00 O ATOM 1173 CB PRO A 73 14.153 -2.745 -1.871 1.00 0.00 C ATOM 1174 CG PRO A 73 13.077 -1.757 -2.164 1.00 0.00 C ATOM 1175 CD PRO A 73 13.090 -0.780 -1.022 1.00 0.00 C ATOM 0 HA PRO A 73 15.775 -2.515 -0.391 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.543 -3.189 -2.787 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.782 -3.563 -1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 73 13.259 -1.251 -3.112 1.00 0.00 H new ATOM 0 HG3 PRO A 73 12.108 -2.249 -2.246 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.813 0.223 -1.348 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.387 -1.066 -0.240 1.00 0.00 H new ATOM 1183 N ASP A 74 17.501 -2.000 -1.992 1.00 0.00 N ATOM 1184 CA ASP A 74 18.605 -1.628 -2.870 1.00 0.00 C ATOM 1185 C ASP A 74 18.148 -1.574 -4.324 1.00 0.00 C ATOM 1186 O ASP A 74 17.759 -2.588 -4.901 1.00 0.00 O ATOM 1187 CB ASP A 74 19.759 -2.620 -2.721 1.00 0.00 C ATOM 1188 CG ASP A 74 19.536 -3.891 -3.517 1.00 0.00 C ATOM 1189 OD1 ASP A 74 19.880 -3.908 -4.718 1.00 0.00 O ATOM 1190 OD2 ASP A 74 19.018 -4.869 -2.939 1.00 0.00 O ATOM 0 H ASP A 74 17.740 -2.696 -1.286 1.00 0.00 H new ATOM 0 HA ASP A 74 18.950 -0.636 -2.580 1.00 0.00 H new ATOM 0 HB2 ASP A 74 20.685 -2.147 -3.048 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.884 -2.872 -1.668 1.00 0.00 H new ATOM 1195 N GLY A 75 18.197 -0.381 -4.911 1.00 0.00 N ATOM 1196 CA GLY A 75 17.784 -0.217 -6.292 1.00 0.00 C ATOM 1197 C GLY A 75 16.628 0.752 -6.440 1.00 0.00 C ATOM 1198 O GLY A 75 16.580 1.533 -7.390 1.00 0.00 O ATOM 0 H GLY A 75 18.515 0.474 -4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.629 0.138 -6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.496 -1.186 -6.700 1.00 0.00 H new ATOM 1202 N LYS A 76 15.692 0.702 -5.498 1.00 0.00 N ATOM 1203 CA LYS A 76 14.529 1.581 -5.527 1.00 0.00 C ATOM 1204 C LYS A 76 14.830 2.904 -4.830 1.00 0.00 C ATOM 1205 O LYS A 76 15.535 2.956 -3.823 1.00 0.00 O ATOM 1206 CB LYS A 76 13.333 0.900 -4.858 1.00 0.00 C ATOM 1207 CG LYS A 76 12.921 -0.400 -5.526 1.00 0.00 C ATOM 1208 CD LYS A 76 12.255 -0.151 -6.869 1.00 0.00 C ATOM 1209 CE LYS A 76 11.636 -1.423 -7.429 1.00 0.00 C ATOM 1210 NZ LYS A 76 10.510 -1.910 -6.584 1.00 0.00 N ATOM 0 H LYS A 76 15.716 0.062 -4.705 1.00 0.00 H new ATOM 0 HA LYS A 76 14.286 1.787 -6.569 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.576 0.701 -3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.486 1.586 -4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.798 -1.032 -5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.237 -0.944 -4.875 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.484 0.612 -6.758 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.990 0.238 -7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.277 -1.237 -8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.399 -2.198 -7.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.927 -2.575 -7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.889 -2.392 -5.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.926 -1.103 -6.285 1.00 0.00 H new ATOM 1224 N PRO A 77 14.281 4.000 -5.376 1.00 0.00 N ATOM 1225 CA PRO A 77 14.476 5.342 -4.821 1.00 0.00 C ATOM 1226 C PRO A 77 13.759 5.528 -3.489 1.00 0.00 C ATOM 1227 O PRO A 77 13.308 4.561 -2.875 1.00 0.00 O ATOM 1228 CB PRO A 77 13.869 6.258 -5.887 1.00 0.00 C ATOM 1229 CG PRO A 77 12.870 5.407 -6.593 1.00 0.00 C ATOM 1230 CD PRO A 77 13.429 4.012 -6.577 1.00 0.00 C ATOM 0 HA PRO A 77 15.525 5.547 -4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.397 7.131 -5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 77 14.631 6.626 -6.574 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.902 5.445 -6.093 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.715 5.753 -7.615 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.639 3.263 -6.517 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.003 3.799 -7.479 1.00 0.00 H new ATOM 1238 N ARG A 78 13.656 6.777 -3.046 1.00 0.00 N ATOM 1239 CA ARG A 78 12.994 7.089 -1.785 1.00 0.00 C ATOM 1240 C ARG A 78 11.609 7.681 -2.031 1.00 0.00 C ATOM 1241 O ARG A 78 10.681 7.458 -1.254 1.00 0.00 O ATOM 1242 CB ARG A 78 13.841 8.067 -0.968 1.00 0.00 C ATOM 1243 CG ARG A 78 13.676 7.907 0.534 1.00 0.00 C ATOM 1244 CD ARG A 78 14.111 9.159 1.279 1.00 0.00 C ATOM 1245 NE ARG A 78 14.293 8.911 2.707 1.00 0.00 N ATOM 1246 CZ ARG A 78 15.306 8.212 3.208 1.00 0.00 C ATOM 1247 NH1 ARG A 78 16.222 7.695 2.401 1.00 0.00 N ATOM 1248 NH2 ARG A 78 15.403 8.030 4.518 1.00 0.00 N ATOM 0 H ARG A 78 14.023 7.589 -3.542 1.00 0.00 H new ATOM 0 HA ARG A 78 12.880 6.162 -1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.891 7.929 -1.226 1.00 0.00 H new ATOM 0 HB3 ARG A 78 13.575 9.086 -1.248 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.633 7.689 0.765 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.264 7.056 0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 78 15.044 9.528 0.853 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.365 9.942 1.139 1.00 0.00 H new ATOM 0 HE ARG A 78 13.605 9.295 3.355 1.00 0.00 H new ATOM 0 HH11 ARG A 78 16.150 7.833 1.393 1.00 0.00 H new ATOM 0 HH12 ARG A 78 16.999 7.159 2.788 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.700 8.427 5.141 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.181 7.493 4.902 1.00 0.00 H new ATOM 1262 N ASP A 79 11.478 8.438 -3.115 1.00 0.00 N ATOM 1263 CA ASP A 79 10.207 9.062 -3.463 1.00 0.00 C ATOM 1264 C ASP A 79 9.174 8.010 -3.853 1.00 0.00 C ATOM 1265 O ASP A 79 8.003 8.325 -4.067 1.00 0.00 O ATOM 1266 CB ASP A 79 10.400 10.055 -4.610 1.00 0.00 C ATOM 1267 CG ASP A 79 11.225 11.260 -4.201 1.00 0.00 C ATOM 1268 OD1 ASP A 79 10.684 12.138 -3.496 1.00 0.00 O ATOM 1269 OD2 ASP A 79 12.411 11.324 -4.584 1.00 0.00 O ATOM 0 H ASP A 79 12.237 8.634 -3.768 1.00 0.00 H new ATOM 0 HA ASP A 79 9.841 9.597 -2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.887 9.551 -5.445 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.425 10.389 -4.965 1.00 0.00 H new ATOM 1274 N CYS A 80 9.615 6.760 -3.944 1.00 0.00 N ATOM 1275 CA CYS A 80 8.729 5.661 -4.310 1.00 0.00 C ATOM 1276 C CYS A 80 8.277 4.892 -3.073 1.00 0.00 C ATOM 1277 O CYS A 80 7.678 3.820 -3.179 1.00 0.00 O ATOM 1278 CB CYS A 80 9.431 4.716 -5.286 1.00 0.00 C ATOM 1279 SG CYS A 80 10.690 3.668 -4.521 1.00 0.00 S ATOM 0 H CYS A 80 10.581 6.483 -3.769 1.00 0.00 H new ATOM 0 HA CYS A 80 7.848 6.082 -4.795 1.00 0.00 H new ATOM 0 HB2 CYS A 80 8.684 4.080 -5.761 1.00 0.00 H new ATOM 0 HB3 CYS A 80 9.896 5.306 -6.076 1.00 0.00 H new ATOM 0 HG CYS A 80 10.138 2.575 -4.083 1.00 0.00 H new ATOM 1285 N LEU A 81 8.570 5.443 -1.900 1.00 0.00 N ATOM 1286 CA LEU A 81 8.196 4.807 -0.642 1.00 0.00 C ATOM 1287 C LEU A 81 6.835 5.304 -0.165 1.00 0.00 C ATOM 1288 O LEU A 81 6.602 6.509 -0.063 1.00 0.00 O ATOM 1289 CB LEU A 81 9.255 5.084 0.427 1.00 0.00 C ATOM 1290 CG LEU A 81 10.596 4.371 0.243 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.659 4.996 1.133 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.454 2.885 0.541 1.00 0.00 C ATOM 0 H LEU A 81 9.065 6.328 -1.794 1.00 0.00 H new ATOM 0 HA LEU A 81 8.132 3.732 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.438 6.158 0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.846 4.802 1.397 1.00 0.00 H new ATOM 0 HG LEU A 81 10.908 4.485 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.606 4.476 0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.779 6.048 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.355 4.913 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.417 2.393 0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.120 2.751 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.723 2.446 -0.138 1.00 0.00 H new ATOM 1304 N LEU A 82 5.939 4.367 0.129 1.00 0.00 N ATOM 1305 CA LEU A 82 4.601 4.709 0.598 1.00 0.00 C ATOM 1306 C LEU A 82 4.322 4.075 1.957 1.00 0.00 C ATOM 1307 O LEU A 82 4.459 2.864 2.126 1.00 0.00 O ATOM 1308 CB LEU A 82 3.551 4.251 -0.417 1.00 0.00 C ATOM 1309 CG LEU A 82 2.148 4.832 -0.240 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.044 6.191 -0.916 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.101 3.877 -0.794 1.00 0.00 C ATOM 0 H LEU A 82 6.115 3.365 0.051 1.00 0.00 H new ATOM 0 HA LEU A 82 4.546 5.792 0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.905 4.506 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.481 3.164 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 82 1.962 4.964 0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.039 6.589 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.768 6.874 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.251 6.084 -1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.109 4.307 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.284 3.713 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.159 2.926 -0.264 1.00 0.00 H new ATOM 1323 N GLN A 83 3.928 4.901 2.920 1.00 0.00 N ATOM 1324 CA GLN A 83 3.628 4.421 4.263 1.00 0.00 C ATOM 1325 C GLN A 83 2.193 4.758 4.655 1.00 0.00 C ATOM 1326 O GLN A 83 1.650 5.782 4.238 1.00 0.00 O ATOM 1327 CB GLN A 83 4.601 5.028 5.274 1.00 0.00 C ATOM 1328 CG GLN A 83 4.859 4.140 6.481 1.00 0.00 C ATOM 1329 CD GLN A 83 6.089 4.558 7.262 1.00 0.00 C ATOM 1330 OE1 GLN A 83 6.005 4.885 8.446 1.00 0.00 O ATOM 1331 NE2 GLN A 83 7.241 4.550 6.601 1.00 0.00 N ATOM 0 H GLN A 83 3.809 5.906 2.795 1.00 0.00 H new ATOM 0 HA GLN A 83 3.741 3.337 4.267 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.548 5.233 4.776 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.207 5.985 5.615 1.00 0.00 H new ATOM 0 HG2 GLN A 83 3.990 4.166 7.138 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.977 3.108 6.149 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.264 4.272 5.620 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.103 4.822 7.074 1.00 0.00 H new ATOM 1340 N ILE A 84 1.584 3.892 5.457 1.00 0.00 N ATOM 1341 CA ILE A 84 0.212 4.099 5.905 1.00 0.00 C ATOM 1342 C ILE A 84 0.112 4.018 7.424 1.00 0.00 C ATOM 1343 O ILE A 84 -0.072 2.940 7.989 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.745 3.066 5.283 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.553 3.008 3.766 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -2.188 3.406 5.626 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -0.762 4.339 3.079 1.00 0.00 C ATOM 0 H ILE A 84 2.019 3.040 5.810 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.080 5.096 5.577 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.515 2.085 5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.453 2.650 3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.247 2.279 3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.852 2.666 5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.316 3.401 6.709 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.431 4.395 5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.610 4.222 2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.777 4.689 3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.050 5.066 3.470 1.00 0.00 H new ATOM 1359 N VAL A 85 0.232 5.167 8.081 1.00 0.00 N ATOM 1360 CA VAL A 85 0.152 5.228 9.536 1.00 0.00 C ATOM 1361 C VAL A 85 -1.283 5.046 10.015 1.00 0.00 C ATOM 1362 O VAL A 85 -2.183 5.781 9.606 1.00 0.00 O ATOM 1363 CB VAL A 85 0.695 6.566 10.073 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.631 6.597 11.592 1.00 0.00 C ATOM 1365 CG2 VAL A 85 2.118 6.796 9.586 1.00 0.00 C ATOM 0 H VAL A 85 0.385 6.068 7.629 1.00 0.00 H new ATOM 0 HA VAL A 85 0.767 4.414 9.921 1.00 0.00 H new ATOM 0 HB VAL A 85 0.069 7.373 9.691 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.019 7.550 11.953 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.403 6.480 11.915 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.232 5.783 11.998 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.486 7.745 9.974 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.758 5.987 9.938 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.130 6.821 8.496 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.491 4.063 10.885 1.00 0.00 N ATOM 1376 CA CYS A 86 -2.818 3.784 11.421 1.00 0.00 C ATOM 1377 C CYS A 86 -3.130 4.695 12.603 1.00 0.00 C ATOM 1378 O CYS A 86 -2.316 5.538 12.982 1.00 0.00 O ATOM 1379 CB CYS A 86 -2.920 2.319 11.849 1.00 0.00 C ATOM 1380 SG CYS A 86 -4.584 1.624 11.712 1.00 0.00 S ATOM 0 H CYS A 86 -0.757 3.446 11.234 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.548 3.977 10.635 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.239 1.725 11.240 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.584 2.229 12.882 1.00 0.00 H new ATOM 0 HG CYS A 86 -4.568 0.382 12.094 1.00 0.00 H new ATOM 1386 N ARG A 87 -4.314 4.521 13.182 1.00 0.00 N ATOM 1387 CA ARG A 87 -4.734 5.330 14.320 1.00 0.00 C ATOM 1388 C ARG A 87 -3.900 5.005 15.555 1.00 0.00 C ATOM 1389 O ARG A 87 -3.232 5.876 16.113 1.00 0.00 O ATOM 1390 CB ARG A 87 -6.217 5.098 14.617 1.00 0.00 C ATOM 1391 CG ARG A 87 -7.146 5.997 13.816 1.00 0.00 C ATOM 1392 CD ARG A 87 -8.567 5.456 13.800 1.00 0.00 C ATOM 1393 NE ARG A 87 -9.503 6.395 13.188 1.00 0.00 N ATOM 1394 CZ ARG A 87 -10.812 6.381 13.415 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -11.336 5.481 14.236 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -11.599 7.269 12.822 1.00 0.00 N ATOM 0 H ARG A 87 -4.999 3.827 12.882 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.581 6.379 14.065 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.462 4.057 14.407 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.396 5.260 15.680 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.142 7.000 14.244 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.777 6.085 12.794 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.590 4.513 13.253 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.884 5.241 14.820 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.132 7.100 12.551 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.734 4.797 14.695 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.341 5.472 14.409 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.199 7.964 12.191 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.604 7.257 12.997 1.00 0.00 H new ATOM 1410 N ASP A 88 -3.945 3.746 15.978 1.00 0.00 N ATOM 1411 CA ASP A 88 -3.193 3.306 17.148 1.00 0.00 C ATOM 1412 C ASP A 88 -1.702 3.571 16.967 1.00 0.00 C ATOM 1413 O ASP A 88 -1.120 4.402 17.663 1.00 0.00 O ATOM 1414 CB ASP A 88 -3.432 1.816 17.402 1.00 0.00 C ATOM 1415 CG ASP A 88 -2.889 1.364 18.744 1.00 0.00 C ATOM 1416 OD1 ASP A 88 -1.666 1.127 18.840 1.00 0.00 O ATOM 1417 OD2 ASP A 88 -3.686 1.248 19.697 1.00 0.00 O ATOM 0 H ASP A 88 -4.494 3.013 15.529 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.542 3.875 18.010 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.501 1.610 17.358 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.962 1.235 16.609 1.00 0.00 H new ATOM 1422 N GLY A 89 -1.088 2.858 16.028 1.00 0.00 N ATOM 1423 CA GLY A 89 0.330 3.030 15.773 1.00 0.00 C ATOM 1424 C GLY A 89 0.818 2.185 14.613 1.00 0.00 C ATOM 1425 O GLY A 89 1.669 2.617 13.836 1.00 0.00 O ATOM 0 H GLY A 89 -1.548 2.164 15.439 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.533 4.080 15.564 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.891 2.769 16.670 1.00 0.00 H new ATOM 1429 N LYS A 90 0.279 0.977 14.495 1.00 0.00 N ATOM 1430 CA LYS A 90 0.663 0.068 13.422 1.00 0.00 C ATOM 1431 C LYS A 90 0.955 0.836 12.137 1.00 0.00 C ATOM 1432 O LYS A 90 0.092 1.541 11.613 1.00 0.00 O ATOM 1433 CB LYS A 90 -0.443 -0.960 13.175 1.00 0.00 C ATOM 1434 CG LYS A 90 -0.077 -2.011 12.141 1.00 0.00 C ATOM 1435 CD LYS A 90 -1.189 -3.032 11.966 1.00 0.00 C ATOM 1436 CE LYS A 90 -1.172 -3.641 10.573 1.00 0.00 C ATOM 1437 NZ LYS A 90 -1.598 -2.663 9.534 1.00 0.00 N ATOM 0 H LYS A 90 -0.426 0.604 15.130 1.00 0.00 H new ATOM 0 HA LYS A 90 1.571 -0.452 13.728 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.683 -1.456 14.115 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.344 -0.440 12.849 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.128 -1.527 11.186 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.839 -2.518 12.444 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.081 -3.821 12.710 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.153 -2.556 12.144 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.168 -3.998 10.345 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.832 -4.508 10.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.867 -3.172 8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.413 -2.119 9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.812 -2.014 9.325 1.00 0.00 H new ATOM 1451 N THR A 91 2.177 0.695 11.632 1.00 0.00 N ATOM 1452 CA THR A 91 2.582 1.375 10.409 1.00 0.00 C ATOM 1453 C THR A 91 2.869 0.376 9.294 1.00 0.00 C ATOM 1454 O THR A 91 3.491 -0.662 9.523 1.00 0.00 O ATOM 1455 CB THR A 91 3.831 2.246 10.637 1.00 0.00 C ATOM 1456 OG1 THR A 91 3.608 3.147 11.727 1.00 0.00 O ATOM 1457 CG2 THR A 91 4.178 3.034 9.383 1.00 0.00 C ATOM 0 H THR A 91 2.903 0.115 12.052 1.00 0.00 H new ATOM 0 HA THR A 91 1.751 2.016 10.114 1.00 0.00 H new ATOM 0 HB THR A 91 4.667 1.588 10.876 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.853 2.829 12.265 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.064 3.642 9.569 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.377 2.344 8.563 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.343 3.682 9.118 1.00 0.00 H new ATOM 1465 N ILE A 92 2.414 0.695 8.087 1.00 0.00 N ATOM 1466 CA ILE A 92 2.625 -0.174 6.937 1.00 0.00 C ATOM 1467 C ILE A 92 3.654 0.419 5.980 1.00 0.00 C ATOM 1468 O ILE A 92 3.485 1.532 5.483 1.00 0.00 O ATOM 1469 CB ILE A 92 1.312 -0.422 6.171 1.00 0.00 C ATOM 1470 CG1 ILE A 92 0.204 -0.844 7.138 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.517 -1.481 5.097 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -1.188 -0.700 6.562 1.00 0.00 C ATOM 0 H ILE A 92 1.897 1.549 7.881 1.00 0.00 H new ATOM 0 HA ILE A 92 2.997 -1.123 7.323 1.00 0.00 H new ATOM 0 HB ILE A 92 1.011 0.506 5.686 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.363 -1.883 7.429 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.277 -0.244 8.045 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.580 -1.645 4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.279 -1.144 4.395 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.838 -2.413 5.562 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.923 -1.017 7.302 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.366 0.342 6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.279 -1.321 5.671 1.00 0.00 H new ATOM 1484 N SER A 93 4.720 -0.333 5.726 1.00 0.00 N ATOM 1485 CA SER A 93 5.778 0.119 4.831 1.00 0.00 C ATOM 1486 C SER A 93 5.607 -0.483 3.439 1.00 0.00 C ATOM 1487 O SER A 93 5.733 -1.694 3.254 1.00 0.00 O ATOM 1488 CB SER A 93 7.149 -0.258 5.396 1.00 0.00 C ATOM 1489 OG SER A 93 7.197 -0.053 6.797 1.00 0.00 O ATOM 0 H SER A 93 4.874 -1.258 6.127 1.00 0.00 H new ATOM 0 HA SER A 93 5.712 1.204 4.750 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.364 -1.303 5.171 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.922 0.338 4.911 1.00 0.00 H new ATOM 0 HG SER A 93 8.083 -0.303 7.134 1.00 0.00 H new ATOM 1495 N LEU A 94 5.318 0.371 2.464 1.00 0.00 N ATOM 1496 CA LEU A 94 5.128 -0.074 1.088 1.00 0.00 C ATOM 1497 C LEU A 94 6.124 0.605 0.153 1.00 0.00 C ATOM 1498 O LEU A 94 6.749 1.603 0.515 1.00 0.00 O ATOM 1499 CB LEU A 94 3.699 0.219 0.628 1.00 0.00 C ATOM 1500 CG LEU A 94 2.585 -0.204 1.587 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.270 0.456 1.203 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.440 -1.719 1.600 1.00 0.00 C ATOM 0 H LEU A 94 5.210 1.376 2.601 1.00 0.00 H new ATOM 0 HA LEU A 94 5.301 -1.150 1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.609 1.290 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.537 -0.279 -0.328 1.00 0.00 H new ATOM 0 HG LEU A 94 2.852 0.124 2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.490 0.143 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.381 1.540 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.996 0.159 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.643 -2.002 2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.196 -2.070 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.377 -2.171 1.925 1.00 0.00 H new ATOM 1514 N CYS A 95 6.265 0.059 -1.049 1.00 0.00 N ATOM 1515 CA CYS A 95 7.185 0.613 -2.037 1.00 0.00 C ATOM 1516 C CYS A 95 6.682 0.353 -3.454 1.00 0.00 C ATOM 1517 O CYS A 95 6.192 -0.733 -3.759 1.00 0.00 O ATOM 1518 CB CYS A 95 8.580 0.012 -1.860 1.00 0.00 C ATOM 1519 SG CYS A 95 9.765 0.508 -3.132 1.00 0.00 S ATOM 0 H CYS A 95 5.755 -0.766 -1.364 1.00 0.00 H new ATOM 0 HA CYS A 95 7.240 1.691 -1.882 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.968 0.303 -0.884 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.498 -1.075 -1.859 1.00 0.00 H new ATOM 0 HG CYS A 95 10.915 -0.050 -2.895 1.00 0.00 H new ATOM 1525 N ALA A 96 6.806 1.359 -4.314 1.00 0.00 N ATOM 1526 CA ALA A 96 6.365 1.239 -5.698 1.00 0.00 C ATOM 1527 C ALA A 96 7.553 1.082 -6.641 1.00 0.00 C ATOM 1528 O ALA A 96 8.664 1.510 -6.330 1.00 0.00 O ATOM 1529 CB ALA A 96 5.531 2.449 -6.092 1.00 0.00 C ATOM 0 H ALA A 96 7.208 2.266 -4.076 1.00 0.00 H new ATOM 0 HA ALA A 96 5.749 0.344 -5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.208 2.347 -7.128 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.657 2.515 -5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.130 3.354 -5.986 1.00 0.00 H new ATOM 1535 N GLU A 97 7.310 0.466 -7.793 1.00 0.00 N ATOM 1536 CA GLU A 97 8.361 0.252 -8.781 1.00 0.00 C ATOM 1537 C GLU A 97 9.181 1.523 -8.987 1.00 0.00 C ATOM 1538 O GLU A 97 10.405 1.473 -9.103 1.00 0.00 O ATOM 1539 CB GLU A 97 7.758 -0.200 -10.112 1.00 0.00 C ATOM 1540 CG GLU A 97 8.767 -0.834 -11.054 1.00 0.00 C ATOM 1541 CD GLU A 97 8.154 -1.233 -12.383 1.00 0.00 C ATOM 1542 OE1 GLU A 97 7.836 -0.330 -13.185 1.00 0.00 O ATOM 1543 OE2 GLU A 97 7.994 -2.448 -12.620 1.00 0.00 O ATOM 0 H GLU A 97 6.395 0.106 -8.065 1.00 0.00 H new ATOM 0 HA GLU A 97 9.022 -0.530 -8.406 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.959 -0.915 -9.915 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.303 0.659 -10.605 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.584 -0.134 -11.230 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.199 -1.714 -10.578 1.00 0.00 H new ATOM 1550 N SER A 98 8.496 2.661 -9.031 1.00 0.00 N ATOM 1551 CA SER A 98 9.159 3.945 -9.228 1.00 0.00 C ATOM 1552 C SER A 98 8.277 5.091 -8.742 1.00 0.00 C ATOM 1553 O SER A 98 7.078 4.918 -8.520 1.00 0.00 O ATOM 1554 CB SER A 98 9.505 4.143 -10.705 1.00 0.00 C ATOM 1555 OG SER A 98 10.309 5.295 -10.890 1.00 0.00 O ATOM 0 H SER A 98 7.482 2.720 -8.933 1.00 0.00 H new ATOM 0 HA SER A 98 10.079 3.945 -8.644 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.031 3.265 -11.080 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.588 4.238 -11.287 1.00 0.00 H new ATOM 0 HG SER A 98 10.518 5.399 -11.842 1.00 0.00 H new ATOM 1561 N THR A 99 8.880 6.265 -8.578 1.00 0.00 N ATOM 1562 CA THR A 99 8.152 7.440 -8.117 1.00 0.00 C ATOM 1563 C THR A 99 6.796 7.552 -8.805 1.00 0.00 C ATOM 1564 O THR A 99 5.760 7.638 -8.145 1.00 0.00 O ATOM 1565 CB THR A 99 8.952 8.732 -8.372 1.00 0.00 C ATOM 1566 OG1 THR A 99 10.256 8.623 -7.791 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.231 9.939 -7.790 1.00 0.00 C ATOM 0 H THR A 99 9.871 6.427 -8.758 1.00 0.00 H new ATOM 0 HA THR A 99 8.003 7.319 -7.044 1.00 0.00 H new ATOM 0 HB THR A 99 9.045 8.869 -9.449 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.759 9.447 -7.959 1.00 0.00 H new ATOM 0 HG21 THR A 99 8.815 10.839 -7.982 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.250 10.036 -8.255 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.111 9.807 -6.715 1.00 0.00 H new ATOM 1575 N ASP A 100 6.809 7.548 -10.133 1.00 0.00 N ATOM 1576 CA ASP A 100 5.580 7.647 -10.910 1.00 0.00 C ATOM 1577 C ASP A 100 4.495 6.745 -10.329 1.00 0.00 C ATOM 1578 O ASP A 100 3.348 7.162 -10.167 1.00 0.00 O ATOM 1579 CB ASP A 100 5.842 7.274 -12.370 1.00 0.00 C ATOM 1580 CG ASP A 100 4.886 7.962 -13.325 1.00 0.00 C ATOM 1581 OD1 ASP A 100 4.381 9.050 -12.977 1.00 0.00 O ATOM 1582 OD2 ASP A 100 4.644 7.412 -14.420 1.00 0.00 O ATOM 0 H ASP A 100 7.658 7.477 -10.694 1.00 0.00 H new ATOM 0 HA ASP A 100 5.233 8.679 -10.864 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.866 7.540 -12.632 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.753 6.194 -12.487 1.00 0.00 H new ATOM 1587 N ASP A 101 4.866 5.508 -10.017 1.00 0.00 N ATOM 1588 CA ASP A 101 3.925 4.547 -9.454 1.00 0.00 C ATOM 1589 C ASP A 101 3.449 4.997 -8.076 1.00 0.00 C ATOM 1590 O ASP A 101 2.248 5.124 -7.835 1.00 0.00 O ATOM 1591 CB ASP A 101 4.572 3.165 -9.357 1.00 0.00 C ATOM 1592 CG ASP A 101 4.361 2.338 -10.610 1.00 0.00 C ATOM 1593 OD1 ASP A 101 3.225 2.323 -11.126 1.00 0.00 O ATOM 1594 OD2 ASP A 101 5.333 1.705 -11.074 1.00 0.00 O ATOM 0 H ASP A 101 5.812 5.147 -10.144 1.00 0.00 H new ATOM 0 HA ASP A 101 3.061 4.490 -10.117 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.641 3.279 -9.176 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.159 2.633 -8.500 1.00 0.00 H new ATOM 1599 N CYS A 102 4.396 5.235 -7.176 1.00 0.00 N ATOM 1600 CA CYS A 102 4.073 5.669 -5.822 1.00 0.00 C ATOM 1601 C CYS A 102 3.092 6.836 -5.844 1.00 0.00 C ATOM 1602 O CYS A 102 2.030 6.780 -5.223 1.00 0.00 O ATOM 1603 CB CYS A 102 5.346 6.072 -5.076 1.00 0.00 C ATOM 1604 SG CYS A 102 5.095 6.411 -3.318 1.00 0.00 S ATOM 0 H CYS A 102 5.394 5.135 -7.360 1.00 0.00 H new ATOM 0 HA CYS A 102 3.604 4.834 -5.302 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.083 5.275 -5.180 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.767 6.959 -5.550 1.00 0.00 H new ATOM 0 HG CYS A 102 6.228 6.742 -2.774 1.00 0.00 H new ATOM 1610 N LEU A 103 3.454 7.893 -6.562 1.00 0.00 N ATOM 1611 CA LEU A 103 2.606 9.075 -6.665 1.00 0.00 C ATOM 1612 C LEU A 103 1.170 8.688 -7.005 1.00 0.00 C ATOM 1613 O LEU A 103 0.230 9.086 -6.317 1.00 0.00 O ATOM 1614 CB LEU A 103 3.154 10.030 -7.727 1.00 0.00 C ATOM 1615 CG LEU A 103 4.372 10.859 -7.320 1.00 0.00 C ATOM 1616 CD1 LEU A 103 4.971 11.558 -8.531 1.00 0.00 C ATOM 1617 CD2 LEU A 103 3.995 11.873 -6.250 1.00 0.00 C ATOM 0 H LEU A 103 4.329 7.956 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 103 2.608 9.578 -5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.415 9.448 -8.611 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.356 10.713 -8.019 1.00 0.00 H new ATOM 0 HG LEU A 103 5.123 10.186 -6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.837 12.143 -8.222 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.279 10.814 -9.265 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.226 12.219 -8.975 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.875 12.454 -5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.226 12.542 -6.637 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.614 11.351 -5.372 1.00 0.00 H new ATOM 1629 N ALA A 104 1.009 7.907 -8.068 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.311 7.463 -8.497 1.00 0.00 C ATOM 1631 C ALA A 104 -1.150 7.008 -7.307 1.00 0.00 C ATOM 1632 O ALA A 104 -2.244 7.523 -7.075 1.00 0.00 O ATOM 1633 CB ALA A 104 -0.185 6.340 -9.516 1.00 0.00 C ATOM 0 H ALA A 104 1.777 7.569 -8.648 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.817 8.308 -8.964 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.179 6.018 -9.828 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.370 6.697 -10.384 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.344 5.499 -9.067 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.631 6.042 -6.558 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.334 5.518 -5.393 1.00 0.00 C ATOM 1641 C TRP A 105 -1.621 6.627 -4.386 1.00 0.00 C ATOM 1642 O TRP A 105 -2.768 6.841 -3.993 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.511 4.411 -4.730 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.789 3.049 -5.291 1.00 0.00 C ATOM 1645 CD1 TRP A 105 0.028 2.315 -6.103 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -1.964 2.259 -5.081 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.570 1.117 -6.411 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.792 1.058 -5.796 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -3.144 2.448 -4.357 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.756 0.054 -5.807 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -4.101 1.451 -4.370 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -3.902 0.266 -5.090 1.00 0.00 C ATOM 0 H TRP A 105 0.274 5.606 -6.736 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.284 5.103 -5.729 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.549 4.636 -4.848 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.718 4.405 -3.660 1.00 0.00 H new ATOM 0 HD1 TRP A 105 1.001 2.630 -6.452 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -0.169 0.389 -7.002 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.305 3.357 -3.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.605 -0.860 -6.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -5.018 1.588 -3.816 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.668 -0.495 -5.079 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.572 7.330 -3.972 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.711 8.418 -3.012 1.00 0.00 C ATOM 1665 C LYS A 106 -1.949 9.256 -3.315 1.00 0.00 C ATOM 1666 O LYS A 106 -2.847 9.379 -2.482 1.00 0.00 O ATOM 1667 CB LYS A 106 0.536 9.305 -3.031 1.00 0.00 C ATOM 1668 CG LYS A 106 0.378 10.593 -2.242 1.00 0.00 C ATOM 1669 CD LYS A 106 1.725 11.162 -1.829 1.00 0.00 C ATOM 1670 CE LYS A 106 1.638 12.655 -1.551 1.00 0.00 C ATOM 1671 NZ LYS A 106 1.523 13.448 -2.807 1.00 0.00 N ATOM 0 H LYS A 106 0.384 7.165 -4.287 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.823 7.981 -2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.378 8.743 -2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 106 0.782 9.550 -4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.159 11.326 -2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.226 10.405 -1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.082 10.645 -0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.455 10.980 -2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.776 12.856 -0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 106 2.523 12.974 -1.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.687 14.454 -2.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.231 13.117 -3.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.571 13.328 -3.207 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.990 9.830 -4.513 1.00 0.00 N ATOM 1686 CA PHE A 107 -3.119 10.656 -4.926 1.00 0.00 C ATOM 1687 C PHE A 107 -4.443 9.974 -4.596 1.00 0.00 C ATOM 1688 O PHE A 107 -5.334 10.577 -3.997 1.00 0.00 O ATOM 1689 CB PHE A 107 -3.043 10.948 -6.426 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.804 11.696 -6.830 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -1.379 12.798 -6.106 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -1.065 11.296 -7.931 1.00 0.00 C ATOM 1693 CE1 PHE A 107 -0.240 13.489 -6.475 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.075 11.983 -8.305 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.489 13.080 -7.576 1.00 0.00 C ATOM 0 H PHE A 107 -1.255 9.739 -5.214 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.068 11.596 -4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.084 10.006 -6.974 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.919 11.526 -6.720 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -1.944 13.121 -5.244 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.383 10.438 -8.504 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.080 14.348 -5.904 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.641 11.662 -9.167 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.380 13.617 -7.865 1.00 0.00 H new ATOM 1705 N THR A 108 -4.565 8.710 -4.992 1.00 0.00 N ATOM 1706 CA THR A 108 -5.780 7.945 -4.740 1.00 0.00 C ATOM 1707 C THR A 108 -6.089 7.878 -3.249 1.00 0.00 C ATOM 1708 O THR A 108 -7.246 7.976 -2.840 1.00 0.00 O ATOM 1709 CB THR A 108 -5.665 6.512 -5.294 1.00 0.00 C ATOM 1710 OG1 THR A 108 -5.201 6.545 -6.648 1.00 0.00 O ATOM 1711 CG2 THR A 108 -7.007 5.798 -5.230 1.00 0.00 C ATOM 0 H THR A 108 -3.837 8.195 -5.488 1.00 0.00 H new ATOM 0 HA THR A 108 -6.591 8.462 -5.253 1.00 0.00 H new ATOM 0 HB THR A 108 -4.950 5.965 -4.679 1.00 0.00 H new ATOM 0 HG1 THR A 108 -5.129 5.630 -6.992 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.901 4.788 -5.626 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.343 5.748 -4.194 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.739 6.346 -5.823 1.00 0.00 H new ATOM 1719 N LEU A 109 -5.048 7.712 -2.441 1.00 0.00 N ATOM 1720 CA LEU A 109 -5.208 7.633 -0.993 1.00 0.00 C ATOM 1721 C LEU A 109 -5.633 8.980 -0.418 1.00 0.00 C ATOM 1722 O LEU A 109 -6.675 9.089 0.228 1.00 0.00 O ATOM 1723 CB LEU A 109 -3.903 7.175 -0.340 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.367 5.816 -0.791 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -1.887 5.690 -0.462 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -4.157 4.689 -0.143 1.00 0.00 C ATOM 0 H LEU A 109 -4.084 7.629 -2.764 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.990 6.904 -0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.139 7.927 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.052 7.144 0.739 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.486 5.741 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.523 4.716 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.332 6.476 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.744 5.787 0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.761 3.729 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.071 4.761 0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.206 4.768 -0.430 1.00 0.00 H new ATOM 1738 N GLN A 110 -4.820 10.004 -0.660 1.00 0.00 N ATOM 1739 CA GLN A 110 -5.113 11.344 -0.167 1.00 0.00 C ATOM 1740 C GLN A 110 -6.516 11.781 -0.578 1.00 0.00 C ATOM 1741 O GLN A 110 -7.140 12.605 0.090 1.00 0.00 O ATOM 1742 CB GLN A 110 -4.081 12.342 -0.695 1.00 0.00 C ATOM 1743 CG GLN A 110 -2.781 12.347 0.095 1.00 0.00 C ATOM 1744 CD GLN A 110 -2.818 13.300 1.273 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -3.661 14.197 1.335 1.00 0.00 O ATOM 1746 NE2 GLN A 110 -1.903 13.112 2.216 1.00 0.00 N ATOM 0 H GLN A 110 -3.954 9.931 -1.194 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.063 11.322 0.922 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.862 12.109 -1.737 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.512 13.343 -0.676 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.575 11.339 0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -1.960 12.624 -0.566 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -1.224 12.357 2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -1.879 13.723 3.032 1.00 0.00 H new ATOM 1755 N ASP A 111 -7.004 11.223 -1.680 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.333 11.554 -2.180 1.00 0.00 C ATOM 1757 C ASP A 111 -9.389 10.645 -1.560 1.00 0.00 C ATOM 1758 O ASP A 111 -10.517 11.068 -1.309 1.00 0.00 O ATOM 1759 CB ASP A 111 -8.372 11.437 -3.705 1.00 0.00 C ATOM 1760 CG ASP A 111 -9.367 12.392 -4.334 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -9.010 13.572 -4.537 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -10.501 11.960 -4.625 1.00 0.00 O ATOM 0 H ASP A 111 -6.499 10.539 -2.244 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.554 12.583 -1.897 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.378 11.635 -4.107 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.630 10.415 -3.982 1.00 0.00 H new ATOM 1767 N SER A 112 -9.016 9.392 -1.317 1.00 0.00 N ATOM 1768 CA SER A 112 -9.932 8.421 -0.732 1.00 0.00 C ATOM 1769 C SER A 112 -10.186 8.733 0.740 1.00 0.00 C ATOM 1770 O SER A 112 -11.184 8.298 1.314 1.00 0.00 O ATOM 1771 CB SER A 112 -9.368 7.006 -0.874 1.00 0.00 C ATOM 1772 OG SER A 112 -8.397 6.741 0.123 1.00 0.00 O ATOM 0 H SER A 112 -8.085 9.026 -1.517 1.00 0.00 H new ATOM 0 HA SER A 112 -10.879 8.483 -1.268 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.177 6.280 -0.800 1.00 0.00 H new ATOM 0 HB3 SER A 112 -8.922 6.886 -1.861 1.00 0.00 H new ATOM 0 HG SER A 112 -7.807 7.518 0.220 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.276 9.491 1.344 1.00 0.00 N ATOM 1779 CA ARG A 113 -9.400 9.861 2.748 1.00 0.00 C ATOM 1780 C ARG A 113 -10.187 11.159 2.901 1.00 0.00 C ATOM 1781 O ARG A 113 -10.582 11.533 4.006 1.00 0.00 O ATOM 1782 CB ARG A 113 -8.016 10.013 3.382 1.00 0.00 C ATOM 1783 CG ARG A 113 -7.150 11.064 2.707 1.00 0.00 C ATOM 1784 CD ARG A 113 -6.041 11.547 3.628 1.00 0.00 C ATOM 1785 NE ARG A 113 -5.306 10.437 4.228 1.00 0.00 N ATOM 1786 CZ ARG A 113 -4.305 10.597 5.088 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -3.924 11.815 5.447 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -3.685 9.537 5.591 1.00 0.00 N ATOM 0 H ARG A 113 -8.445 9.861 0.882 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.941 9.066 3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.134 10.272 4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -7.502 9.053 3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -6.715 10.649 1.798 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -7.769 11.909 2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -5.351 12.177 3.066 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -6.468 12.167 4.416 1.00 0.00 H new ATOM 0 HE ARG A 113 -5.575 9.487 3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.399 12.632 5.063 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -3.156 11.935 6.107 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -3.976 8.598 5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -2.917 9.661 6.251 1.00 0.00 H new ATOM 1802 N THR A 114 -10.411 11.844 1.784 1.00 0.00 N ATOM 1803 CA THR A 114 -11.149 13.102 1.793 1.00 0.00 C ATOM 1804 C THR A 114 -12.220 13.118 0.708 1.00 0.00 C ATOM 1805 O THR A 114 -12.340 14.085 -0.044 1.00 0.00 O ATOM 1806 CB THR A 114 -10.209 14.305 1.589 1.00 0.00 C ATOM 1807 OG1 THR A 114 -10.938 15.528 1.747 1.00 0.00 O ATOM 1808 CG2 THR A 114 -9.570 14.265 0.210 1.00 0.00 C ATOM 0 H THR A 114 -10.092 11.549 0.861 1.00 0.00 H new ATOM 0 HA THR A 114 -11.625 13.184 2.770 1.00 0.00 H new ATOM 0 HB THR A 114 -9.420 14.253 2.339 1.00 0.00 H new ATOM 0 HG1 THR A 114 -11.595 15.613 1.025 1.00 0.00 H new ATOM 0 HG21 THR A 114 -8.911 15.125 0.089 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.992 13.347 0.103 1.00 0.00 H new ATOM 0 HG23 THR A 114 -10.348 14.295 -0.553 1.00 0.00 H new ATOM 1816 N SER A 115 -12.997 12.043 0.634 1.00 0.00 N ATOM 1817 CA SER A 115 -14.057 11.933 -0.361 1.00 0.00 C ATOM 1818 C SER A 115 -15.201 11.066 0.157 1.00 0.00 C ATOM 1819 O SER A 115 -15.043 9.861 0.350 1.00 0.00 O ATOM 1820 CB SER A 115 -13.506 11.347 -1.662 1.00 0.00 C ATOM 1821 OG SER A 115 -14.541 11.140 -2.607 1.00 0.00 O ATOM 0 H SER A 115 -12.913 11.235 1.251 1.00 0.00 H new ATOM 0 HA SER A 115 -14.443 12.934 -0.557 1.00 0.00 H new ATOM 0 HB2 SER A 115 -12.758 12.021 -2.080 1.00 0.00 H new ATOM 0 HB3 SER A 115 -13.004 10.402 -1.455 1.00 0.00 H new ATOM 0 HG SER A 115 -14.162 10.766 -3.430 1.00 0.00 H new ATOM 1827 N GLY A 116 -16.354 11.689 0.380 1.00 0.00 N ATOM 1828 CA GLY A 116 -17.508 10.960 0.874 1.00 0.00 C ATOM 1829 C GLY A 116 -18.109 11.595 2.112 1.00 0.00 C ATOM 1830 O GLY A 116 -19.035 12.403 2.034 1.00 0.00 O ATOM 0 H GLY A 116 -16.510 12.685 0.227 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -18.265 10.910 0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -17.216 9.935 1.101 1.00 0.00 H new ATOM 1834 N PRO A 117 -17.578 11.227 3.287 1.00 0.00 N ATOM 1835 CA PRO A 117 -18.054 11.754 4.570 1.00 0.00 C ATOM 1836 C PRO A 117 -17.700 13.225 4.760 1.00 0.00 C ATOM 1837 O PRO A 117 -18.414 13.962 5.439 1.00 0.00 O ATOM 1838 CB PRO A 117 -17.322 10.890 5.601 1.00 0.00 C ATOM 1839 CG PRO A 117 -16.092 10.425 4.901 1.00 0.00 C ATOM 1840 CD PRO A 117 -16.473 10.268 3.455 1.00 0.00 C ATOM 0 HA PRO A 117 -19.140 11.711 4.651 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -17.076 11.463 6.495 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -17.937 10.049 5.921 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -15.282 11.145 5.015 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -15.740 9.481 5.317 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -15.638 10.497 2.792 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -16.788 9.249 3.231 1.00 0.00 H new ATOM 1848 N SER A 118 -16.593 13.645 4.155 1.00 0.00 N ATOM 1849 CA SER A 118 -16.143 15.028 4.261 1.00 0.00 C ATOM 1850 C SER A 118 -17.331 15.983 4.321 1.00 0.00 C ATOM 1851 O SER A 118 -18.173 16.002 3.423 1.00 0.00 O ATOM 1852 CB SER A 118 -15.246 15.386 3.074 1.00 0.00 C ATOM 1853 OG SER A 118 -14.261 14.391 2.860 1.00 0.00 O ATOM 0 H SER A 118 -15.992 13.048 3.587 1.00 0.00 H new ATOM 0 HA SER A 118 -15.571 15.129 5.184 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.854 15.499 2.176 1.00 0.00 H new ATOM 0 HB3 SER A 118 -14.764 16.346 3.256 1.00 0.00 H new ATOM 0 HG SER A 118 -13.459 14.802 2.475 1.00 0.00 H new ATOM 1859 N SER A 119 -17.392 16.774 5.388 1.00 0.00 N ATOM 1860 CA SER A 119 -18.479 17.730 5.569 1.00 0.00 C ATOM 1861 C SER A 119 -19.834 17.046 5.420 1.00 0.00 C ATOM 1862 O SER A 119 -20.716 17.538 4.717 1.00 0.00 O ATOM 1863 CB SER A 119 -18.356 18.872 4.558 1.00 0.00 C ATOM 1864 OG SER A 119 -17.359 19.798 4.953 1.00 0.00 O ATOM 0 H SER A 119 -16.702 16.772 6.139 1.00 0.00 H new ATOM 0 HA SER A 119 -18.407 18.138 6.577 1.00 0.00 H new ATOM 0 HB2 SER A 119 -18.112 18.467 3.576 1.00 0.00 H new ATOM 0 HB3 SER A 119 -19.314 19.383 4.463 1.00 0.00 H new ATOM 0 HG SER A 119 -17.299 20.517 4.290 1.00 0.00 H new ATOM 1870 N GLY A 120 -19.992 15.907 6.087 1.00 0.00 N ATOM 1871 CA GLY A 120 -21.242 15.172 6.016 1.00 0.00 C ATOM 1872 C GLY A 120 -21.231 13.925 6.877 1.00 0.00 C ATOM 1873 O GLY A 120 -21.662 12.858 6.440 1.00 0.00 O ATOM 0 H GLY A 120 -19.277 15.480 6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -22.059 15.820 6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -21.438 14.893 4.981 1.00 0.00 H new TER 1877 GLY A 120