USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 853 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 101 GLN : amide:sc= -0.366 K(o=-0.62,f=-1.2) USER MOD Set 1.2: A 105 SER OG : rot -112:sc= -0.253 USER MOD Set 2.1: A 80 THR OG1 : rot 12:sc= 0.203 USER MOD Set 2.2: A 81 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 1 CYS N :NH3+ 178:sc= -0.116 (180deg=-0.129) USER MOD Set 3.2: A 51 SER OG : rot 160:sc= 0 USER MOD Single : A 1 CYS SG : rot -32:sc= 0.842 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0248 USER MOD Single : A 5 THR OG1 : rot -74:sc= -3.7! USER MOD Single : A 8 THR OG1 : rot -21:sc= 0.0482 USER MOD Single : A 10 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.9!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.108 USER MOD Single : A 13 GLN : amide:sc=-0.00456 X(o=-0.0046,f=-0.0046) USER MOD Single : A 15 THR OG1 : rot -170:sc= -0.565 USER MOD Single : A 17 THR OG1 : rot 98:sc= 0.659 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 34 ASN : amide:sc= -4.96! K(o=-5!,f=-1.2) USER MOD Single : A 36 GLN : amide:sc= -3.06 K(o=-3.1,f=-5.1!) USER MOD Single : A 39 GLN : amide:sc= -5.05! C(o=-5.1!,f=-4.9!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.387 K(o=-0.39,f=-1.2!) USER MOD Single : A 49 TYR OH : rot -51:sc= 1.21 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -154:sc= -0.0406 (180deg=-0.244) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -90:sc= -0.0645 USER MOD Single : A 68 MET CE :methyl 174:sc= 0 (180deg=-0.0448) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 57:sc= -0.324 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 74 SER OG : rot -130:sc= -0.583 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 147:sc= -0.246 (180deg=-1.27!) USER MOD Single : A 93 LYS NZ :NH3+ 178:sc= -1.38 (180deg=-1.38) USER MOD Single : A 96 GLN : amide:sc= -1.1! K(o=-1.1!,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0238 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 83.916 4.730 18.135 1.00 0.00 N ATOM 2 CA CYS A 1 83.475 5.964 18.844 1.00 0.00 C ATOM 3 C CYS A 1 82.552 6.770 17.936 1.00 0.00 C ATOM 4 O CYS A 1 82.172 7.894 18.262 1.00 0.00 O ATOM 5 CB CYS A 1 84.700 6.800 19.216 1.00 0.00 C ATOM 6 SG CYS A 1 84.162 8.349 19.982 1.00 0.00 S ATOM 0 H1 CYS A 1 84.572 4.197 18.741 1.00 0.00 H new ATOM 0 H2 CYS A 1 83.088 4.139 17.918 1.00 0.00 H new ATOM 0 H3 CYS A 1 84.396 4.991 17.250 1.00 0.00 H new ATOM 0 HA CYS A 1 82.936 5.693 19.752 1.00 0.00 H new ATOM 0 HB2 CYS A 1 85.338 6.244 19.903 1.00 0.00 H new ATOM 0 HB3 CYS A 1 85.295 7.009 18.327 1.00 0.00 H new ATOM 0 HG CYS A 1 83.029 8.719 19.464 1.00 0.00 H new ATOM 14 N ASP A 2 82.196 6.188 16.795 1.00 0.00 N ATOM 15 CA ASP A 2 81.316 6.862 15.846 1.00 0.00 C ATOM 16 C ASP A 2 80.150 5.958 15.461 1.00 0.00 C ATOM 17 O ASP A 2 79.010 6.192 15.865 1.00 0.00 O ATOM 18 CB ASP A 2 82.100 7.250 14.591 1.00 0.00 C ATOM 19 CG ASP A 2 81.871 8.723 14.266 1.00 0.00 C ATOM 20 OD1 ASP A 2 80.745 9.171 14.404 1.00 0.00 O ATOM 21 OD2 ASP A 2 82.825 9.381 13.884 1.00 0.00 O ATOM 0 H ASP A 2 82.500 5.258 16.506 1.00 0.00 H new ATOM 0 HA ASP A 2 80.922 7.761 16.320 1.00 0.00 H new ATOM 0 HB2 ASP A 2 83.163 7.064 14.745 1.00 0.00 H new ATOM 0 HB3 ASP A 2 81.786 6.631 13.751 1.00 0.00 H new ATOM 26 N SER A 3 80.441 4.924 14.678 1.00 0.00 N ATOM 27 CA SER A 3 79.409 3.991 14.244 1.00 0.00 C ATOM 28 C SER A 3 78.229 4.742 13.637 1.00 0.00 C ATOM 29 O SER A 3 77.443 5.363 14.352 1.00 0.00 O ATOM 30 CB SER A 3 78.925 3.158 15.430 1.00 0.00 C ATOM 31 OG SER A 3 77.530 2.919 15.299 1.00 0.00 O ATOM 0 H SER A 3 81.377 4.712 14.333 1.00 0.00 H new ATOM 0 HA SER A 3 79.837 3.333 13.488 1.00 0.00 H new ATOM 0 HB2 SER A 3 79.465 2.212 15.469 1.00 0.00 H new ATOM 0 HB3 SER A 3 79.130 3.681 16.364 1.00 0.00 H new ATOM 0 HG SER A 3 77.217 2.384 16.058 1.00 0.00 H new ATOM 37 N GLY A 4 78.112 4.686 12.315 1.00 0.00 N ATOM 38 CA GLY A 4 77.023 5.372 11.629 1.00 0.00 C ATOM 39 C GLY A 4 76.209 4.403 10.778 1.00 0.00 C ATOM 40 O GLY A 4 76.040 4.611 9.576 1.00 0.00 O ATOM 0 H GLY A 4 78.750 4.179 11.702 1.00 0.00 H new ATOM 0 HA2 GLY A 4 76.373 5.851 12.361 1.00 0.00 H new ATOM 0 HA3 GLY A 4 77.428 6.162 10.997 1.00 0.00 H new ATOM 44 N THR A 5 75.700 3.347 11.407 1.00 0.00 N ATOM 45 CA THR A 5 74.901 2.358 10.690 1.00 0.00 C ATOM 46 C THR A 5 74.368 1.298 11.643 1.00 0.00 C ATOM 47 O THR A 5 74.680 1.298 12.834 1.00 0.00 O ATOM 48 CB THR A 5 75.746 1.667 9.614 1.00 0.00 C ATOM 49 OG1 THR A 5 76.961 2.379 9.432 1.00 0.00 O ATOM 50 CG2 THR A 5 74.967 1.633 8.298 1.00 0.00 C ATOM 0 H THR A 5 75.825 3.155 12.401 1.00 0.00 H new ATOM 0 HA THR A 5 74.066 2.882 10.226 1.00 0.00 H new ATOM 0 HB THR A 5 75.971 0.648 9.928 1.00 0.00 H new ATOM 0 HG1 THR A 5 76.784 3.207 8.938 1.00 0.00 H new ATOM 0 HG21 THR A 5 75.567 1.142 7.532 1.00 0.00 H new ATOM 0 HG22 THR A 5 74.038 1.082 8.440 1.00 0.00 H new ATOM 0 HG23 THR A 5 74.740 2.652 7.983 1.00 0.00 H new ATOM 58 N GLY A 6 73.578 0.383 11.097 1.00 0.00 N ATOM 59 CA GLY A 6 73.016 -0.704 11.884 1.00 0.00 C ATOM 60 C GLY A 6 73.707 -2.008 11.513 1.00 0.00 C ATOM 61 O GLY A 6 74.015 -2.831 12.372 1.00 0.00 O ATOM 0 H GLY A 6 73.312 0.373 10.112 1.00 0.00 H new ATOM 0 HA2 GLY A 6 73.144 -0.502 12.947 1.00 0.00 H new ATOM 0 HA3 GLY A 6 71.944 -0.783 11.702 1.00 0.00 H new ATOM 65 N LEU A 7 73.966 -2.171 10.218 1.00 0.00 N ATOM 66 CA LEU A 7 74.643 -3.361 9.718 1.00 0.00 C ATOM 67 C LEU A 7 74.172 -4.609 10.461 1.00 0.00 C ATOM 68 O LEU A 7 73.158 -4.583 11.161 1.00 0.00 O ATOM 69 CB LEU A 7 76.157 -3.190 9.883 1.00 0.00 C ATOM 70 CG LEU A 7 76.785 -2.832 8.533 1.00 0.00 C ATOM 71 CD1 LEU A 7 76.701 -4.033 7.588 1.00 0.00 C ATOM 72 CD2 LEU A 7 76.031 -1.652 7.916 1.00 0.00 C ATOM 0 H LEU A 7 73.717 -1.493 9.497 1.00 0.00 H new ATOM 0 HA LEU A 7 74.401 -3.486 8.663 1.00 0.00 H new ATOM 0 HB2 LEU A 7 76.367 -2.407 10.612 1.00 0.00 H new ATOM 0 HB3 LEU A 7 76.597 -4.110 10.267 1.00 0.00 H new ATOM 0 HG LEU A 7 77.830 -2.562 8.685 1.00 0.00 H new ATOM 0 HD11 LEU A 7 77.149 -3.773 6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 7 77.238 -4.876 8.023 1.00 0.00 H new ATOM 0 HD13 LEU A 7 75.656 -4.306 7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 7 76.478 -1.397 6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 7 74.986 -1.925 7.769 1.00 0.00 H new ATOM 0 HD23 LEU A 7 76.091 -0.793 8.584 1.00 0.00 H new ATOM 84 N THR A 8 74.912 -5.702 10.300 1.00 0.00 N ATOM 85 CA THR A 8 74.559 -6.957 10.956 1.00 0.00 C ATOM 86 C THR A 8 75.698 -7.970 10.842 1.00 0.00 C ATOM 87 O THR A 8 75.486 -9.168 11.030 1.00 0.00 O ATOM 88 CB THR A 8 73.298 -7.540 10.317 1.00 0.00 C ATOM 89 OG1 THR A 8 72.250 -6.583 10.380 1.00 0.00 O ATOM 90 CG2 THR A 8 72.881 -8.807 11.068 1.00 0.00 C ATOM 0 H THR A 8 75.754 -5.745 9.725 1.00 0.00 H new ATOM 0 HA THR A 8 74.377 -6.751 12.011 1.00 0.00 H new ATOM 0 HB THR A 8 73.501 -7.788 9.275 1.00 0.00 H new ATOM 0 HG1 THR A 8 72.441 -5.934 11.089 1.00 0.00 H new ATOM 0 HG21 THR A 8 71.982 -9.221 10.611 1.00 0.00 H new ATOM 0 HG22 THR A 8 73.685 -9.541 11.018 1.00 0.00 H new ATOM 0 HG23 THR A 8 72.678 -8.562 12.111 1.00 0.00 H new ATOM 98 N GLY A 9 76.901 -7.477 10.541 1.00 0.00 N ATOM 99 CA GLY A 9 78.078 -8.338 10.402 1.00 0.00 C ATOM 100 C GLY A 9 77.696 -9.763 10.019 1.00 0.00 C ATOM 101 O GLY A 9 78.027 -10.715 10.727 1.00 0.00 O ATOM 0 H GLY A 9 77.086 -6.486 10.389 1.00 0.00 H new ATOM 0 HA2 GLY A 9 78.743 -7.924 9.644 1.00 0.00 H new ATOM 0 HA3 GLY A 9 78.632 -8.350 11.341 1.00 0.00 H new ATOM 105 N ASN A 10 76.996 -9.909 8.899 1.00 0.00 N ATOM 106 CA ASN A 10 76.578 -11.230 8.443 1.00 0.00 C ATOM 107 C ASN A 10 77.789 -12.082 8.072 1.00 0.00 C ATOM 108 O ASN A 10 78.264 -12.883 8.876 1.00 0.00 O ATOM 109 CB ASN A 10 75.652 -11.103 7.233 1.00 0.00 C ATOM 110 CG ASN A 10 74.251 -10.706 7.690 1.00 0.00 C ATOM 111 OD1 ASN A 10 73.829 -11.073 8.786 1.00 0.00 O ATOM 112 ND2 ASN A 10 73.502 -9.974 6.911 1.00 0.00 N ATOM 0 H ASN A 10 76.709 -9.138 8.296 1.00 0.00 H new ATOM 0 HA ASN A 10 76.042 -11.716 9.258 1.00 0.00 H new ATOM 0 HB2 ASN A 10 76.043 -10.357 6.541 1.00 0.00 H new ATOM 0 HB3 ASN A 10 75.613 -12.049 6.693 1.00 0.00 H new ATOM 0 HD21 ASN A 10 72.565 -9.705 7.210 1.00 0.00 H new ATOM 0 HD22 ASN A 10 73.854 -9.671 6.003 1.00 0.00 H new ATOM 119 N TYR A 11 78.281 -11.907 6.849 1.00 0.00 N ATOM 120 CA TYR A 11 79.434 -12.671 6.384 1.00 0.00 C ATOM 121 C TYR A 11 79.956 -12.108 5.066 1.00 0.00 C ATOM 122 O TYR A 11 79.984 -10.895 4.866 1.00 0.00 O ATOM 123 CB TYR A 11 79.040 -14.136 6.193 1.00 0.00 C ATOM 124 CG TYR A 11 80.258 -15.014 6.357 1.00 0.00 C ATOM 125 CD1 TYR A 11 80.910 -15.081 7.594 1.00 0.00 C ATOM 126 CD2 TYR A 11 80.734 -15.760 5.272 1.00 0.00 C ATOM 127 CE1 TYR A 11 82.039 -15.895 7.746 1.00 0.00 C ATOM 128 CE2 TYR A 11 81.863 -16.574 5.425 1.00 0.00 C ATOM 129 CZ TYR A 11 82.515 -16.641 6.661 1.00 0.00 C ATOM 130 OH TYR A 11 83.628 -17.443 6.811 1.00 0.00 O ATOM 0 H TYR A 11 77.903 -11.249 6.167 1.00 0.00 H new ATOM 0 HA TYR A 11 80.222 -12.598 7.133 1.00 0.00 H new ATOM 0 HB2 TYR A 11 78.277 -14.416 6.920 1.00 0.00 H new ATOM 0 HB3 TYR A 11 78.606 -14.280 5.204 1.00 0.00 H new ATOM 0 HD1 TYR A 11 80.542 -14.505 8.430 1.00 0.00 H new ATOM 0 HD2 TYR A 11 80.231 -15.708 4.318 1.00 0.00 H new ATOM 0 HE1 TYR A 11 82.543 -15.947 8.700 1.00 0.00 H new ATOM 0 HE2 TYR A 11 82.231 -17.150 4.589 1.00 0.00 H new ATOM 0 HH TYR A 11 83.824 -17.893 5.963 1.00 0.00 H new ATOM 140 N SER A 12 80.361 -12.999 4.166 1.00 0.00 N ATOM 141 CA SER A 12 80.872 -12.578 2.867 1.00 0.00 C ATOM 142 C SER A 12 79.870 -11.651 2.188 1.00 0.00 C ATOM 143 O SER A 12 80.249 -10.660 1.563 1.00 0.00 O ATOM 144 CB SER A 12 81.124 -13.801 1.985 1.00 0.00 C ATOM 145 OG SER A 12 79.888 -14.263 1.457 1.00 0.00 O ATOM 0 H SER A 12 80.346 -14.009 4.311 1.00 0.00 H new ATOM 0 HA SER A 12 81.810 -12.043 3.013 1.00 0.00 H new ATOM 0 HB2 SER A 12 81.806 -13.544 1.174 1.00 0.00 H new ATOM 0 HB3 SER A 12 81.602 -14.590 2.566 1.00 0.00 H new ATOM 0 HG SER A 12 80.047 -15.046 0.890 1.00 0.00 H new ATOM 151 N GLN A 13 78.587 -11.977 2.323 1.00 0.00 N ATOM 152 CA GLN A 13 77.534 -11.168 1.726 1.00 0.00 C ATOM 153 C GLN A 13 77.636 -9.725 2.204 1.00 0.00 C ATOM 154 O GLN A 13 77.492 -8.788 1.420 1.00 0.00 O ATOM 155 CB GLN A 13 76.162 -11.737 2.097 1.00 0.00 C ATOM 156 CG GLN A 13 75.865 -11.444 3.571 1.00 0.00 C ATOM 157 CD GLN A 13 74.627 -12.229 4.032 1.00 0.00 C ATOM 158 OE1 GLN A 13 73.525 -11.680 4.036 1.00 0.00 O ATOM 159 NE2 GLN A 13 74.725 -13.482 4.424 1.00 0.00 N ATOM 0 H GLN A 13 78.255 -12.792 2.838 1.00 0.00 H new ATOM 0 HA GLN A 13 77.653 -11.190 0.643 1.00 0.00 H new ATOM 0 HB2 GLN A 13 75.391 -11.295 1.466 1.00 0.00 H new ATOM 0 HB3 GLN A 13 76.143 -12.812 1.919 1.00 0.00 H new ATOM 0 HG2 GLN A 13 76.725 -11.716 4.183 1.00 0.00 H new ATOM 0 HG3 GLN A 13 75.699 -10.376 3.710 1.00 0.00 H new ATOM 0 HE21 GLN A 13 75.633 -13.947 4.425 1.00 0.00 H new ATOM 0 HE22 GLN A 13 73.893 -13.988 4.727 1.00 0.00 H new ATOM 168 N ASP A 14 77.890 -9.553 3.497 1.00 0.00 N ATOM 169 CA ASP A 14 78.014 -8.218 4.069 1.00 0.00 C ATOM 170 C ASP A 14 79.330 -7.578 3.643 1.00 0.00 C ATOM 171 O ASP A 14 79.425 -6.356 3.523 1.00 0.00 O ATOM 172 CB ASP A 14 77.949 -8.292 5.596 1.00 0.00 C ATOM 173 CG ASP A 14 76.553 -7.909 6.077 1.00 0.00 C ATOM 174 OD1 ASP A 14 75.609 -8.143 5.340 1.00 0.00 O ATOM 175 OD2 ASP A 14 76.448 -7.390 7.176 1.00 0.00 O ATOM 0 H ASP A 14 78.013 -10.315 4.164 1.00 0.00 H new ATOM 0 HA ASP A 14 77.188 -7.607 3.703 1.00 0.00 H new ATOM 0 HB2 ASP A 14 78.194 -9.300 5.930 1.00 0.00 H new ATOM 0 HB3 ASP A 14 78.690 -7.622 6.033 1.00 0.00 H new ATOM 180 N THR A 15 80.343 -8.409 3.413 1.00 0.00 N ATOM 181 CA THR A 15 81.645 -7.902 3.000 1.00 0.00 C ATOM 182 C THR A 15 81.572 -7.331 1.589 1.00 0.00 C ATOM 183 O THR A 15 82.055 -6.231 1.339 1.00 0.00 O ATOM 184 CB THR A 15 82.690 -9.020 3.044 1.00 0.00 C ATOM 185 OG1 THR A 15 82.323 -9.971 4.033 1.00 0.00 O ATOM 186 CG2 THR A 15 84.060 -8.427 3.384 1.00 0.00 C ATOM 0 H THR A 15 80.288 -9.423 3.504 1.00 0.00 H new ATOM 0 HA THR A 15 81.936 -7.110 3.690 1.00 0.00 H new ATOM 0 HB THR A 15 82.740 -9.510 2.072 1.00 0.00 H new ATOM 0 HG1 THR A 15 83.062 -10.599 4.174 1.00 0.00 H new ATOM 0 HG21 THR A 15 84.804 -9.223 3.415 1.00 0.00 H new ATOM 0 HG22 THR A 15 84.340 -7.699 2.623 1.00 0.00 H new ATOM 0 HG23 THR A 15 84.013 -7.936 4.356 1.00 0.00 H new ATOM 194 N LEU A 16 80.966 -8.083 0.672 1.00 0.00 N ATOM 195 CA LEU A 16 80.845 -7.628 -0.711 1.00 0.00 C ATOM 196 C LEU A 16 79.794 -6.529 -0.834 1.00 0.00 C ATOM 197 O LEU A 16 79.921 -5.629 -1.665 1.00 0.00 O ATOM 198 CB LEU A 16 80.489 -8.798 -1.637 1.00 0.00 C ATOM 199 CG LEU A 16 79.257 -9.541 -1.114 1.00 0.00 C ATOM 200 CD1 LEU A 16 78.006 -9.040 -1.842 1.00 0.00 C ATOM 201 CD2 LEU A 16 79.420 -11.042 -1.373 1.00 0.00 C ATOM 0 H LEU A 16 80.556 -8.998 0.858 1.00 0.00 H new ATOM 0 HA LEU A 16 81.810 -7.221 -1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 16 80.297 -8.427 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 16 81.333 -9.485 -1.706 1.00 0.00 H new ATOM 0 HG LEU A 16 79.155 -9.359 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 16 77.130 -9.570 -1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 16 77.886 -7.971 -1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 16 78.110 -9.221 -2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 16 78.544 -11.573 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 16 79.523 -11.217 -2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 16 80.310 -11.406 -0.859 1.00 0.00 H new ATOM 213 N THR A 17 78.759 -6.601 -0.005 1.00 0.00 N ATOM 214 CA THR A 17 77.699 -5.597 -0.040 1.00 0.00 C ATOM 215 C THR A 17 78.282 -4.201 0.161 1.00 0.00 C ATOM 216 O THR A 17 78.033 -3.294 -0.634 1.00 0.00 O ATOM 217 CB THR A 17 76.664 -5.883 1.051 1.00 0.00 C ATOM 218 OG1 THR A 17 76.027 -7.124 0.784 1.00 0.00 O ATOM 219 CG2 THR A 17 75.620 -4.765 1.070 1.00 0.00 C ATOM 0 H THR A 17 78.630 -7.334 0.692 1.00 0.00 H new ATOM 0 HA THR A 17 77.214 -5.642 -1.015 1.00 0.00 H new ATOM 0 HB THR A 17 77.160 -5.931 2.020 1.00 0.00 H new ATOM 0 HG1 THR A 17 76.443 -7.828 1.324 1.00 0.00 H new ATOM 0 HG21 THR A 17 74.883 -4.969 1.847 1.00 0.00 H new ATOM 0 HG22 THR A 17 76.110 -3.813 1.275 1.00 0.00 H new ATOM 0 HG23 THR A 17 75.122 -4.716 0.102 1.00 0.00 H new ATOM 227 N VAL A 18 79.059 -4.035 1.225 1.00 0.00 N ATOM 228 CA VAL A 18 79.673 -2.744 1.517 1.00 0.00 C ATOM 229 C VAL A 18 80.748 -2.417 0.486 1.00 0.00 C ATOM 230 O VAL A 18 80.911 -1.263 0.092 1.00 0.00 O ATOM 231 CB VAL A 18 80.286 -2.758 2.918 1.00 0.00 C ATOM 232 CG1 VAL A 18 81.372 -3.833 2.993 1.00 0.00 C ATOM 233 CG2 VAL A 18 80.901 -1.389 3.217 1.00 0.00 C ATOM 0 H VAL A 18 79.278 -4.772 1.896 1.00 0.00 H new ATOM 0 HA VAL A 18 78.900 -1.977 1.472 1.00 0.00 H new ATOM 0 HB VAL A 18 79.510 -2.978 3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 18 81.807 -3.841 3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 18 80.934 -4.808 2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 18 82.149 -3.617 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 18 81.339 -1.397 4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 18 81.676 -1.170 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 18 80.127 -0.623 3.166 1.00 0.00 H new ATOM 243 N ILE A 19 81.476 -3.439 0.049 1.00 0.00 N ATOM 244 CA ILE A 19 82.528 -3.242 -0.941 1.00 0.00 C ATOM 245 C ILE A 19 81.923 -2.831 -2.266 1.00 0.00 C ATOM 246 O ILE A 19 82.527 -2.078 -3.026 1.00 0.00 O ATOM 247 CB ILE A 19 83.354 -4.529 -1.098 1.00 0.00 C ATOM 248 CG1 ILE A 19 84.772 -4.286 -0.575 1.00 0.00 C ATOM 249 CG2 ILE A 19 83.426 -4.954 -2.570 1.00 0.00 C ATOM 250 CD1 ILE A 19 85.524 -5.617 -0.502 1.00 0.00 C ATOM 0 H ILE A 19 81.359 -4.403 0.361 1.00 0.00 H new ATOM 0 HA ILE A 19 83.191 -2.446 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 19 82.872 -5.323 -0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 19 85.299 -3.594 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 19 84.733 -3.823 0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 19 84.015 -5.867 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 19 82.419 -5.135 -2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 19 83.895 -4.163 -3.155 1.00 0.00 H new ATOM 0 HD11 ILE A 19 86.534 -5.444 -0.130 1.00 0.00 H new ATOM 0 HD12 ILE A 19 85.000 -6.295 0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 19 85.575 -6.061 -1.496 1.00 0.00 H new ATOM 262 N ALA A 20 80.729 -3.324 -2.542 1.00 0.00 N ATOM 263 CA ALA A 20 80.077 -2.986 -3.787 1.00 0.00 C ATOM 264 C ALA A 20 79.883 -1.479 -3.886 1.00 0.00 C ATOM 265 O ALA A 20 79.930 -0.908 -4.976 1.00 0.00 O ATOM 266 CB ALA A 20 78.728 -3.699 -3.899 1.00 0.00 C ATOM 0 H ALA A 20 80.202 -3.948 -1.931 1.00 0.00 H new ATOM 0 HA ALA A 20 80.712 -3.316 -4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 20 78.253 -3.432 -4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 20 78.882 -4.777 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 20 78.087 -3.396 -3.071 1.00 0.00 H new ATOM 272 N THR A 21 79.682 -0.838 -2.741 1.00 0.00 N ATOM 273 CA THR A 21 79.503 0.605 -2.713 1.00 0.00 C ATOM 274 C THR A 21 80.826 1.293 -3.024 1.00 0.00 C ATOM 275 O THR A 21 80.852 2.410 -3.541 1.00 0.00 O ATOM 276 CB THR A 21 79.001 1.050 -1.336 1.00 0.00 C ATOM 277 OG1 THR A 21 77.981 0.163 -0.897 1.00 0.00 O ATOM 278 CG2 THR A 21 78.441 2.471 -1.427 1.00 0.00 C ATOM 0 H THR A 21 79.639 -1.291 -1.828 1.00 0.00 H new ATOM 0 HA THR A 21 78.764 0.883 -3.465 1.00 0.00 H new ATOM 0 HB THR A 21 79.828 1.035 -0.626 1.00 0.00 H new ATOM 0 HG1 THR A 21 77.660 0.445 -0.015 1.00 0.00 H new ATOM 0 HG21 THR A 21 78.085 2.785 -0.446 1.00 0.00 H new ATOM 0 HG22 THR A 21 79.225 3.150 -1.763 1.00 0.00 H new ATOM 0 HG23 THR A 21 77.614 2.491 -2.137 1.00 0.00 H new ATOM 286 N LEU A 22 81.925 0.611 -2.712 1.00 0.00 N ATOM 287 CA LEU A 22 83.250 1.160 -2.972 1.00 0.00 C ATOM 288 C LEU A 22 83.547 1.135 -4.467 1.00 0.00 C ATOM 289 O LEU A 22 83.938 2.149 -5.046 1.00 0.00 O ATOM 290 CB LEU A 22 84.307 0.350 -2.225 1.00 0.00 C ATOM 291 CG LEU A 22 84.742 1.110 -0.971 1.00 0.00 C ATOM 292 CD1 LEU A 22 85.546 0.178 -0.062 1.00 0.00 C ATOM 293 CD2 LEU A 22 85.611 2.303 -1.373 1.00 0.00 C ATOM 0 H LEU A 22 81.924 -0.314 -2.283 1.00 0.00 H new ATOM 0 HA LEU A 22 83.275 2.192 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 22 83.906 -0.626 -1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 22 85.167 0.171 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 22 83.860 1.466 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 22 85.856 0.720 0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 22 84.928 -0.672 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 22 86.428 -0.178 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 22 85.921 2.845 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 22 86.493 1.948 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 22 85.039 2.968 -2.020 1.00 0.00 H new ATOM 305 N ARG A 23 83.340 -0.021 -5.094 1.00 0.00 N ATOM 306 CA ARG A 23 83.573 -0.141 -6.529 1.00 0.00 C ATOM 307 C ARG A 23 82.746 0.904 -7.254 1.00 0.00 C ATOM 308 O ARG A 23 83.128 1.394 -8.317 1.00 0.00 O ATOM 309 CB ARG A 23 83.165 -1.537 -7.037 1.00 0.00 C ATOM 310 CG ARG A 23 84.298 -2.567 -6.830 1.00 0.00 C ATOM 311 CD ARG A 23 84.136 -3.334 -5.508 1.00 0.00 C ATOM 312 NE ARG A 23 83.974 -4.761 -5.771 1.00 0.00 N ATOM 313 CZ ARG A 23 82.805 -5.269 -6.153 1.00 0.00 C ATOM 314 NH1 ARG A 23 81.772 -4.490 -6.310 1.00 0.00 N ATOM 315 NH2 ARG A 23 82.693 -6.552 -6.372 1.00 0.00 N ATOM 0 H ARG A 23 83.017 -0.875 -4.639 1.00 0.00 H new ATOM 0 HA ARG A 23 84.636 0.007 -6.722 1.00 0.00 H new ATOM 0 HB2 ARG A 23 82.269 -1.869 -6.512 1.00 0.00 H new ATOM 0 HB3 ARG A 23 82.912 -1.481 -8.096 1.00 0.00 H new ATOM 0 HG2 ARG A 23 84.305 -3.272 -7.661 1.00 0.00 H new ATOM 0 HG3 ARG A 23 85.260 -2.055 -6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 23 85.008 -3.170 -4.875 1.00 0.00 H new ATOM 0 HD3 ARG A 23 83.271 -2.956 -4.963 1.00 0.00 H new ATOM 0 HE ARG A 23 84.775 -5.383 -5.659 1.00 0.00 H new ATOM 0 HH11 ARG A 23 81.858 -3.488 -6.140 1.00 0.00 H new ATOM 0 HH12 ARG A 23 80.877 -4.882 -6.603 1.00 0.00 H new ATOM 0 HH21 ARG A 23 83.501 -7.163 -6.250 1.00 0.00 H new ATOM 0 HH22 ARG A 23 81.798 -6.943 -6.665 1.00 0.00 H new ATOM 329 N GLU A 24 81.607 1.239 -6.666 1.00 0.00 N ATOM 330 CA GLU A 24 80.721 2.227 -7.257 1.00 0.00 C ATOM 331 C GLU A 24 81.259 3.631 -7.038 1.00 0.00 C ATOM 332 O GLU A 24 81.408 4.407 -7.980 1.00 0.00 O ATOM 333 CB GLU A 24 79.325 2.110 -6.641 1.00 0.00 C ATOM 334 CG GLU A 24 78.302 1.813 -7.739 1.00 0.00 C ATOM 335 CD GLU A 24 76.889 1.911 -7.174 1.00 0.00 C ATOM 336 OE1 GLU A 24 76.713 1.584 -6.011 1.00 0.00 O ATOM 337 OE2 GLU A 24 76.003 2.310 -7.911 1.00 0.00 O ATOM 0 H GLU A 24 81.277 0.843 -5.786 1.00 0.00 H new ATOM 0 HA GLU A 24 80.663 2.039 -8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 24 79.312 1.317 -5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 24 79.064 3.036 -6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 24 78.424 2.518 -8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 24 78.472 0.816 -8.146 1.00 0.00 H new ATOM 344 N ALA A 25 81.531 3.937 -5.786 1.00 0.00 N ATOM 345 CA ALA A 25 82.034 5.254 -5.397 1.00 0.00 C ATOM 346 C ALA A 25 83.210 5.692 -6.265 1.00 0.00 C ATOM 347 O ALA A 25 83.343 6.872 -6.587 1.00 0.00 O ATOM 348 CB ALA A 25 82.475 5.221 -3.933 1.00 0.00 C ATOM 0 H ALA A 25 81.413 3.289 -5.007 1.00 0.00 H new ATOM 0 HA ALA A 25 81.226 5.972 -5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 25 82.850 6.203 -3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 25 81.626 4.957 -3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 25 83.264 4.480 -3.807 1.00 0.00 H new ATOM 354 N ILE A 26 84.065 4.749 -6.639 1.00 0.00 N ATOM 355 CA ILE A 26 85.221 5.080 -7.463 1.00 0.00 C ATOM 356 C ILE A 26 84.808 5.301 -8.910 1.00 0.00 C ATOM 357 O ILE A 26 85.447 6.064 -9.634 1.00 0.00 O ATOM 358 CB ILE A 26 86.261 3.960 -7.393 1.00 0.00 C ATOM 359 CG1 ILE A 26 87.665 4.564 -7.531 1.00 0.00 C ATOM 360 CG2 ILE A 26 86.021 2.960 -8.527 1.00 0.00 C ATOM 361 CD1 ILE A 26 88.607 3.539 -8.168 1.00 0.00 C ATOM 0 H ILE A 26 83.983 3.763 -6.390 1.00 0.00 H new ATOM 0 HA ILE A 26 85.657 6.002 -7.078 1.00 0.00 H new ATOM 0 HB ILE A 26 86.175 3.444 -6.436 1.00 0.00 H new ATOM 0 HG12 ILE A 26 87.625 5.465 -8.143 1.00 0.00 H new ATOM 0 HG13 ILE A 26 88.042 4.860 -6.552 1.00 0.00 H new ATOM 0 HG21 ILE A 26 86.764 2.164 -8.474 1.00 0.00 H new ATOM 0 HG22 ILE A 26 85.023 2.532 -8.430 1.00 0.00 H new ATOM 0 HG23 ILE A 26 86.105 3.471 -9.486 1.00 0.00 H new ATOM 0 HD11 ILE A 26 89.603 3.971 -8.265 1.00 0.00 H new ATOM 0 HD12 ILE A 26 88.656 2.650 -7.539 1.00 0.00 H new ATOM 0 HD13 ILE A 26 88.233 3.265 -9.155 1.00 0.00 H new ATOM 373 N ASP A 27 83.749 4.620 -9.337 1.00 0.00 N ATOM 374 CA ASP A 27 83.296 4.758 -10.719 1.00 0.00 C ATOM 375 C ASP A 27 81.784 4.971 -10.833 1.00 0.00 C ATOM 376 O ASP A 27 81.122 4.282 -11.609 1.00 0.00 O ATOM 377 CB ASP A 27 83.691 3.512 -11.513 1.00 0.00 C ATOM 378 CG ASP A 27 85.195 3.512 -11.765 1.00 0.00 C ATOM 379 OD1 ASP A 27 85.836 4.487 -11.410 1.00 0.00 O ATOM 380 OD2 ASP A 27 85.684 2.534 -12.307 1.00 0.00 O ATOM 0 H ASP A 27 83.199 3.981 -8.763 1.00 0.00 H new ATOM 0 HA ASP A 27 83.779 5.646 -11.125 1.00 0.00 H new ATOM 0 HB2 ASP A 27 83.406 2.615 -10.964 1.00 0.00 H new ATOM 0 HB3 ASP A 27 83.155 3.489 -12.462 1.00 0.00 H new ATOM 385 N LEU A 28 81.235 5.931 -10.088 1.00 0.00 N ATOM 386 CA LEU A 28 79.798 6.198 -10.177 1.00 0.00 C ATOM 387 C LEU A 28 79.445 6.681 -11.587 1.00 0.00 C ATOM 388 O LEU A 28 80.243 7.364 -12.227 1.00 0.00 O ATOM 389 CB LEU A 28 79.373 7.263 -9.155 1.00 0.00 C ATOM 390 CG LEU A 28 79.505 6.703 -7.744 1.00 0.00 C ATOM 391 CD1 LEU A 28 79.133 7.777 -6.737 1.00 0.00 C ATOM 392 CD2 LEU A 28 78.566 5.507 -7.565 1.00 0.00 C ATOM 0 H LEU A 28 81.746 6.523 -9.433 1.00 0.00 H new ATOM 0 HA LEU A 28 79.266 5.272 -9.959 1.00 0.00 H new ATOM 0 HB2 LEU A 28 79.994 8.153 -9.263 1.00 0.00 H new ATOM 0 HB3 LEU A 28 78.343 7.568 -9.341 1.00 0.00 H new ATOM 0 HG LEU A 28 80.535 6.383 -7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 28 79.227 7.377 -5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 28 79.800 8.631 -6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 28 78.104 8.095 -6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 28 78.667 5.113 -6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 28 77.536 5.825 -7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 28 78.825 4.730 -8.284 1.00 0.00 H new ATOM 404 N PRO A 29 78.278 6.343 -12.080 1.00 0.00 N ATOM 405 CA PRO A 29 77.836 6.759 -13.445 1.00 0.00 C ATOM 406 C PRO A 29 77.717 8.275 -13.572 1.00 0.00 C ATOM 407 O PRO A 29 77.594 8.984 -12.574 1.00 0.00 O ATOM 408 CB PRO A 29 76.471 6.085 -13.625 1.00 0.00 C ATOM 409 CG PRO A 29 76.003 5.739 -12.250 1.00 0.00 C ATOM 410 CD PRO A 29 77.254 5.537 -11.399 1.00 0.00 C ATOM 0 HA PRO A 29 78.556 6.464 -14.208 1.00 0.00 H new ATOM 0 HB2 PRO A 29 75.767 6.754 -14.121 1.00 0.00 H new ATOM 0 HB3 PRO A 29 76.554 5.193 -14.246 1.00 0.00 H new ATOM 0 HG2 PRO A 29 75.381 6.535 -11.841 1.00 0.00 H new ATOM 0 HG3 PRO A 29 75.394 4.835 -12.264 1.00 0.00 H new ATOM 0 HD2 PRO A 29 77.098 5.872 -10.374 1.00 0.00 H new ATOM 0 HD3 PRO A 29 77.539 4.486 -11.351 1.00 0.00 H new ATOM 418 N GLN A 30 77.753 8.766 -14.807 1.00 0.00 N ATOM 419 CA GLN A 30 77.647 10.200 -15.050 1.00 0.00 C ATOM 420 C GLN A 30 76.334 10.741 -14.489 1.00 0.00 C ATOM 421 O GLN A 30 76.049 11.933 -14.590 1.00 0.00 O ATOM 422 CB GLN A 30 77.718 10.486 -16.552 1.00 0.00 C ATOM 423 CG GLN A 30 79.182 10.636 -16.970 1.00 0.00 C ATOM 424 CD GLN A 30 79.326 10.378 -18.466 1.00 0.00 C ATOM 425 OE1 GLN A 30 78.385 10.597 -19.230 1.00 0.00 O ATOM 426 NE2 GLN A 30 80.456 9.921 -18.935 1.00 0.00 N ATOM 0 H GLN A 30 77.854 8.198 -15.648 1.00 0.00 H new ATOM 0 HA GLN A 30 78.478 10.696 -14.548 1.00 0.00 H new ATOM 0 HB2 GLN A 30 77.250 9.676 -17.111 1.00 0.00 H new ATOM 0 HB3 GLN A 30 77.166 11.396 -16.787 1.00 0.00 H new ATOM 0 HG2 GLN A 30 79.537 11.638 -16.730 1.00 0.00 H new ATOM 0 HG3 GLN A 30 79.802 9.936 -16.410 1.00 0.00 H new ATOM 0 HE21 GLN A 30 81.235 9.740 -18.302 1.00 0.00 H new ATOM 0 HE22 GLN A 30 80.560 9.745 -19.934 1.00 0.00 H new ATOM 435 N ASP A 31 75.542 9.854 -13.893 1.00 0.00 N ATOM 436 CA ASP A 31 74.265 10.254 -13.316 1.00 0.00 C ATOM 437 C ASP A 31 74.459 10.722 -11.877 1.00 0.00 C ATOM 438 O ASP A 31 73.570 11.336 -11.288 1.00 0.00 O ATOM 439 CB ASP A 31 73.284 9.079 -13.345 1.00 0.00 C ATOM 440 CG ASP A 31 71.890 9.575 -13.710 1.00 0.00 C ATOM 441 OD1 ASP A 31 71.785 10.360 -14.638 1.00 0.00 O ATOM 442 OD2 ASP A 31 70.945 9.162 -13.056 1.00 0.00 O ATOM 0 H ASP A 31 75.760 8.862 -13.798 1.00 0.00 H new ATOM 0 HA ASP A 31 73.860 11.076 -13.906 1.00 0.00 H new ATOM 0 HB2 ASP A 31 73.616 8.335 -14.069 1.00 0.00 H new ATOM 0 HB3 ASP A 31 73.262 8.589 -12.372 1.00 0.00 H new ATOM 447 N ALA A 32 75.630 10.432 -11.320 1.00 0.00 N ATOM 448 CA ALA A 32 75.936 10.830 -9.952 1.00 0.00 C ATOM 449 C ALA A 32 77.367 11.348 -9.855 1.00 0.00 C ATOM 450 O ALA A 32 78.235 10.697 -9.273 1.00 0.00 O ATOM 451 CB ALA A 32 75.758 9.644 -9.003 1.00 0.00 C ATOM 0 H ALA A 32 76.379 9.925 -11.792 1.00 0.00 H new ATOM 0 HA ALA A 32 75.249 11.626 -9.666 1.00 0.00 H new ATOM 0 HB1 ALA A 32 75.990 9.955 -7.984 1.00 0.00 H new ATOM 0 HB2 ALA A 32 74.727 9.292 -9.049 1.00 0.00 H new ATOM 0 HB3 ALA A 32 76.430 8.838 -9.298 1.00 0.00 H new ATOM 457 N PRO A 33 77.621 12.502 -10.409 1.00 0.00 N ATOM 458 CA PRO A 33 78.974 13.131 -10.389 1.00 0.00 C ATOM 459 C PRO A 33 79.426 13.467 -8.968 1.00 0.00 C ATOM 460 O PRO A 33 80.183 14.414 -8.755 1.00 0.00 O ATOM 461 CB PRO A 33 78.812 14.410 -11.222 1.00 0.00 C ATOM 462 CG PRO A 33 77.514 14.271 -11.951 1.00 0.00 C ATOM 463 CD PRO A 33 76.645 13.333 -11.122 1.00 0.00 C ATOM 0 HA PRO A 33 79.736 12.460 -10.786 1.00 0.00 H new ATOM 0 HB2 PRO A 33 78.807 15.293 -10.583 1.00 0.00 H new ATOM 0 HB3 PRO A 33 79.640 14.527 -11.921 1.00 0.00 H new ATOM 0 HG2 PRO A 33 77.031 15.241 -12.071 1.00 0.00 H new ATOM 0 HG3 PRO A 33 77.673 13.868 -12.951 1.00 0.00 H new ATOM 0 HD2 PRO A 33 76.006 13.883 -10.431 1.00 0.00 H new ATOM 0 HD3 PRO A 33 75.990 12.731 -11.752 1.00 0.00 H new ATOM 471 N ASN A 34 78.954 12.686 -8.000 1.00 0.00 N ATOM 472 CA ASN A 34 79.312 12.910 -6.605 1.00 0.00 C ATOM 473 C ASN A 34 80.089 11.717 -6.054 1.00 0.00 C ATOM 474 O ASN A 34 79.789 11.211 -4.973 1.00 0.00 O ATOM 475 CB ASN A 34 78.045 13.133 -5.776 1.00 0.00 C ATOM 476 CG ASN A 34 76.904 13.584 -6.682 1.00 0.00 C ATOM 477 OD1 ASN A 34 76.443 14.721 -6.584 1.00 0.00 O ATOM 478 ND2 ASN A 34 76.418 12.754 -7.563 1.00 0.00 N ATOM 0 H ASN A 34 78.326 11.897 -8.156 1.00 0.00 H new ATOM 0 HA ASN A 34 79.945 13.795 -6.544 1.00 0.00 H new ATOM 0 HB2 ASN A 34 77.770 12.212 -5.261 1.00 0.00 H new ATOM 0 HB3 ASN A 34 78.230 13.884 -5.008 1.00 0.00 H new ATOM 0 HD21 ASN A 34 75.654 13.047 -8.173 1.00 0.00 H new ATOM 0 HD22 ASN A 34 76.802 11.812 -7.642 1.00 0.00 H new ATOM 485 N ARG A 35 81.095 11.276 -6.802 1.00 0.00 N ATOM 486 CA ARG A 35 81.910 10.145 -6.373 1.00 0.00 C ATOM 487 C ARG A 35 82.448 10.386 -4.967 1.00 0.00 C ATOM 488 O ARG A 35 82.564 9.458 -4.168 1.00 0.00 O ATOM 489 CB ARG A 35 83.080 9.931 -7.340 1.00 0.00 C ATOM 490 CG ARG A 35 83.275 11.174 -8.217 1.00 0.00 C ATOM 491 CD ARG A 35 82.275 11.146 -9.375 1.00 0.00 C ATOM 492 NE ARG A 35 82.916 10.638 -10.584 1.00 0.00 N ATOM 493 CZ ARG A 35 83.518 11.457 -11.441 1.00 0.00 C ATOM 494 NH1 ARG A 35 83.554 12.740 -11.204 1.00 0.00 N ATOM 495 NH2 ARG A 35 84.075 10.978 -12.519 1.00 0.00 N ATOM 0 H ARG A 35 81.364 11.680 -7.699 1.00 0.00 H new ATOM 0 HA ARG A 35 81.284 9.253 -6.370 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.992 9.726 -6.779 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.889 9.060 -7.967 1.00 0.00 H new ATOM 0 HG2 ARG A 35 83.134 12.077 -7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 35 84.294 11.203 -8.603 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.424 10.517 -9.115 1.00 0.00 H new ATOM 0 HD3 ARG A 35 81.887 12.149 -9.554 1.00 0.00 H new ATOM 0 HE ARG A 35 82.902 9.636 -10.775 1.00 0.00 H new ATOM 0 HH11 ARG A 35 83.120 13.115 -10.361 1.00 0.00 H new ATOM 0 HH12 ARG A 35 84.016 13.367 -11.862 1.00 0.00 H new ATOM 0 HH21 ARG A 35 84.049 9.975 -12.704 1.00 0.00 H new ATOM 0 HH22 ARG A 35 84.537 11.606 -13.177 1.00 0.00 H new ATOM 509 N GLN A 36 82.772 11.640 -4.674 1.00 0.00 N ATOM 510 CA GLN A 36 83.299 12.000 -3.362 1.00 0.00 C ATOM 511 C GLN A 36 82.185 12.063 -2.317 1.00 0.00 C ATOM 512 O GLN A 36 82.395 11.713 -1.157 1.00 0.00 O ATOM 513 CB GLN A 36 84.004 13.357 -3.441 1.00 0.00 C ATOM 514 CG GLN A 36 84.929 13.527 -2.234 1.00 0.00 C ATOM 515 CD GLN A 36 85.600 14.896 -2.281 1.00 0.00 C ATOM 516 OE1 GLN A 36 86.022 15.346 -3.347 1.00 0.00 O ATOM 517 NE2 GLN A 36 85.722 15.590 -1.183 1.00 0.00 N ATOM 0 H GLN A 36 82.680 12.421 -5.323 1.00 0.00 H new ATOM 0 HA GLN A 36 84.010 11.231 -3.060 1.00 0.00 H new ATOM 0 HB2 GLN A 36 84.579 13.426 -4.365 1.00 0.00 H new ATOM 0 HB3 GLN A 36 83.267 14.160 -3.463 1.00 0.00 H new ATOM 0 HG2 GLN A 36 84.359 13.424 -1.311 1.00 0.00 H new ATOM 0 HG3 GLN A 36 85.685 12.742 -2.231 1.00 0.00 H new ATOM 0 HE21 GLN A 36 85.372 15.215 -0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 36 86.168 16.507 -1.206 1.00 0.00 H new ATOM 526 N GLU A 37 81.008 12.522 -2.732 1.00 0.00 N ATOM 527 CA GLU A 37 79.879 12.639 -1.812 1.00 0.00 C ATOM 528 C GLU A 37 79.221 11.287 -1.564 1.00 0.00 C ATOM 529 O GLU A 37 79.071 10.871 -0.416 1.00 0.00 O ATOM 530 CB GLU A 37 78.846 13.618 -2.372 1.00 0.00 C ATOM 531 CG GLU A 37 78.193 14.387 -1.222 1.00 0.00 C ATOM 532 CD GLU A 37 76.794 14.838 -1.626 1.00 0.00 C ATOM 533 OE1 GLU A 37 76.514 14.844 -2.813 1.00 0.00 O ATOM 534 OE2 GLU A 37 76.021 15.169 -0.741 1.00 0.00 O ATOM 0 H GLU A 37 80.811 12.816 -3.689 1.00 0.00 H new ATOM 0 HA GLU A 37 80.261 13.012 -0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 37 79.325 14.313 -3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 37 78.088 13.078 -2.939 1.00 0.00 H new ATOM 0 HG2 GLU A 37 78.139 13.755 -0.335 1.00 0.00 H new ATOM 0 HG3 GLU A 37 78.802 15.252 -0.960 1.00 0.00 H new ATOM 541 N VAL A 38 78.836 10.599 -2.632 1.00 0.00 N ATOM 542 CA VAL A 38 78.206 9.296 -2.471 1.00 0.00 C ATOM 543 C VAL A 38 79.122 8.399 -1.655 1.00 0.00 C ATOM 544 O VAL A 38 78.669 7.616 -0.821 1.00 0.00 O ATOM 545 CB VAL A 38 77.932 8.665 -3.837 1.00 0.00 C ATOM 546 CG1 VAL A 38 77.914 7.139 -3.703 1.00 0.00 C ATOM 547 CG2 VAL A 38 76.572 9.144 -4.353 1.00 0.00 C ATOM 0 H VAL A 38 78.945 10.912 -3.597 1.00 0.00 H new ATOM 0 HA VAL A 38 77.255 9.416 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 38 78.715 8.959 -4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 38 77.719 6.691 -4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 38 78.879 6.795 -3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 38 77.131 6.844 -3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 38 76.374 8.696 -5.327 1.00 0.00 H new ATOM 0 HG22 VAL A 38 75.792 8.848 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 38 76.581 10.230 -4.448 1.00 0.00 H new ATOM 557 N GLN A 39 80.418 8.538 -1.896 1.00 0.00 N ATOM 558 CA GLN A 39 81.409 7.754 -1.172 1.00 0.00 C ATOM 559 C GLN A 39 81.280 7.997 0.328 1.00 0.00 C ATOM 560 O GLN A 39 81.517 7.096 1.133 1.00 0.00 O ATOM 561 CB GLN A 39 82.817 8.133 -1.636 1.00 0.00 C ATOM 562 CG GLN A 39 83.852 7.481 -0.716 1.00 0.00 C ATOM 563 CD GLN A 39 84.134 8.389 0.478 1.00 0.00 C ATOM 564 OE1 GLN A 39 84.593 9.518 0.307 1.00 0.00 O ATOM 565 NE2 GLN A 39 83.887 7.959 1.685 1.00 0.00 N ATOM 0 H GLN A 39 80.807 9.183 -2.584 1.00 0.00 H new ATOM 0 HA GLN A 39 81.236 6.698 -1.377 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.972 7.807 -2.664 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.936 9.216 -1.624 1.00 0.00 H new ATOM 0 HG2 GLN A 39 83.486 6.515 -0.370 1.00 0.00 H new ATOM 0 HG3 GLN A 39 84.774 7.294 -1.267 1.00 0.00 H new ATOM 0 HE21 GLN A 39 83.507 7.023 1.825 1.00 0.00 H new ATOM 0 HE22 GLN A 39 84.074 8.559 2.488 1.00 0.00 H new ATOM 574 N ASP A 40 80.893 9.216 0.699 1.00 0.00 N ATOM 575 CA ASP A 40 80.730 9.552 2.110 1.00 0.00 C ATOM 576 C ASP A 40 79.740 8.594 2.761 1.00 0.00 C ATOM 577 O ASP A 40 79.962 8.118 3.875 1.00 0.00 O ATOM 578 CB ASP A 40 80.229 10.990 2.254 1.00 0.00 C ATOM 579 CG ASP A 40 80.616 11.544 3.621 1.00 0.00 C ATOM 580 OD1 ASP A 40 81.739 11.311 4.036 1.00 0.00 O ATOM 581 OD2 ASP A 40 79.784 12.193 4.233 1.00 0.00 O ATOM 0 H ASP A 40 80.689 9.977 0.052 1.00 0.00 H new ATOM 0 HA ASP A 40 81.696 9.461 2.607 1.00 0.00 H new ATOM 0 HB2 ASP A 40 80.654 11.612 1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 40 79.146 11.020 2.134 1.00 0.00 H new ATOM 586 N THR A 41 78.652 8.311 2.054 1.00 0.00 N ATOM 587 CA THR A 41 77.637 7.399 2.566 1.00 0.00 C ATOM 588 C THR A 41 78.236 6.012 2.782 1.00 0.00 C ATOM 589 O THR A 41 77.888 5.317 3.737 1.00 0.00 O ATOM 590 CB THR A 41 76.469 7.311 1.581 1.00 0.00 C ATOM 591 OG1 THR A 41 75.541 8.351 1.856 1.00 0.00 O ATOM 592 CG2 THR A 41 75.776 5.955 1.723 1.00 0.00 C ATOM 0 H THR A 41 78.451 8.697 1.131 1.00 0.00 H new ATOM 0 HA THR A 41 77.273 7.780 3.520 1.00 0.00 H new ATOM 0 HB THR A 41 76.844 7.417 0.563 1.00 0.00 H new ATOM 0 HG1 THR A 41 74.793 8.297 1.225 1.00 0.00 H new ATOM 0 HG21 THR A 41 74.945 5.896 1.020 1.00 0.00 H new ATOM 0 HG22 THR A 41 76.489 5.158 1.510 1.00 0.00 H new ATOM 0 HG23 THR A 41 75.400 5.843 2.740 1.00 0.00 H new ATOM 600 N ALA A 42 79.143 5.620 1.893 1.00 0.00 N ATOM 601 CA ALA A 42 79.787 4.317 2.003 1.00 0.00 C ATOM 602 C ALA A 42 80.621 4.250 3.279 1.00 0.00 C ATOM 603 O ALA A 42 80.729 3.197 3.908 1.00 0.00 O ATOM 604 CB ALA A 42 80.688 4.073 0.791 1.00 0.00 C ATOM 0 H ALA A 42 79.446 6.180 1.096 1.00 0.00 H new ATOM 0 HA ALA A 42 79.015 3.548 2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 42 81.165 3.097 0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 42 80.089 4.100 -0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 42 81.453 4.848 0.745 1.00 0.00 H new ATOM 610 N ARG A 43 81.205 5.383 3.654 1.00 0.00 N ATOM 611 CA ARG A 43 82.026 5.448 4.857 1.00 0.00 C ATOM 612 C ARG A 43 81.181 5.171 6.095 1.00 0.00 C ATOM 613 O ARG A 43 81.663 4.603 7.074 1.00 0.00 O ATOM 614 CB ARG A 43 82.669 6.829 4.978 1.00 0.00 C ATOM 615 CG ARG A 43 83.879 6.749 5.910 1.00 0.00 C ATOM 616 CD ARG A 43 84.570 8.112 5.967 1.00 0.00 C ATOM 617 NE ARG A 43 83.590 9.167 6.194 1.00 0.00 N ATOM 618 CZ ARG A 43 83.965 10.437 6.309 1.00 0.00 C ATOM 619 NH1 ARG A 43 85.227 10.755 6.223 1.00 0.00 N ATOM 620 NH2 ARG A 43 83.070 11.367 6.510 1.00 0.00 N ATOM 0 H ARG A 43 81.126 6.264 3.146 1.00 0.00 H new ATOM 0 HA ARG A 43 82.806 4.690 4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 43 82.977 7.186 3.995 1.00 0.00 H new ATOM 0 HB3 ARG A 43 81.945 7.546 5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 43 83.563 6.448 6.909 1.00 0.00 H new ATOM 0 HG3 ARG A 43 84.576 5.991 5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 43 85.312 8.118 6.765 1.00 0.00 H new ATOM 0 HD3 ARG A 43 85.103 8.296 5.034 1.00 0.00 H new ATOM 0 HE ARG A 43 82.601 8.927 6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 43 85.926 10.029 6.067 1.00 0.00 H new ATOM 0 HH12 ARG A 43 85.515 11.730 6.311 1.00 0.00 H new ATOM 0 HH21 ARG A 43 82.083 11.119 6.579 1.00 0.00 H new ATOM 0 HH22 ARG A 43 83.358 12.341 6.598 1.00 0.00 H new ATOM 634 N GLY A 44 79.916 5.576 6.041 1.00 0.00 N ATOM 635 CA GLY A 44 79.012 5.365 7.165 1.00 0.00 C ATOM 636 C GLY A 44 78.932 3.885 7.516 1.00 0.00 C ATOM 637 O GLY A 44 78.975 3.511 8.688 1.00 0.00 O ATOM 0 H GLY A 44 79.497 6.047 5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 44 79.359 5.931 8.029 1.00 0.00 H new ATOM 0 HA3 GLY A 44 78.019 5.740 6.916 1.00 0.00 H new ATOM 641 N GLN A 45 78.823 3.046 6.490 1.00 0.00 N ATOM 642 CA GLN A 45 78.746 1.605 6.700 1.00 0.00 C ATOM 643 C GLN A 45 80.028 1.097 7.355 1.00 0.00 C ATOM 644 O GLN A 45 79.982 0.322 8.310 1.00 0.00 O ATOM 645 CB GLN A 45 78.531 0.891 5.365 1.00 0.00 C ATOM 646 CG GLN A 45 77.444 1.616 4.569 1.00 0.00 C ATOM 647 CD GLN A 45 76.590 0.604 3.812 1.00 0.00 C ATOM 648 OE1 GLN A 45 75.643 0.049 4.370 1.00 0.00 O ATOM 649 NE2 GLN A 45 76.870 0.329 2.567 1.00 0.00 N ATOM 0 H GLN A 45 78.786 3.336 5.513 1.00 0.00 H new ATOM 0 HA GLN A 45 77.904 1.394 7.359 1.00 0.00 H new ATOM 0 HB2 GLN A 45 79.461 0.871 4.797 1.00 0.00 H new ATOM 0 HB3 GLN A 45 78.241 -0.145 5.537 1.00 0.00 H new ATOM 0 HG2 GLN A 45 76.818 2.201 5.242 1.00 0.00 H new ATOM 0 HG3 GLN A 45 77.900 2.316 3.869 1.00 0.00 H new ATOM 0 HE21 GLN A 45 77.655 0.790 2.107 1.00 0.00 H new ATOM 0 HE22 GLN A 45 76.304 -0.347 2.054 1.00 0.00 H new ATOM 658 N ILE A 46 81.169 1.543 6.838 1.00 0.00 N ATOM 659 CA ILE A 46 82.457 1.130 7.386 1.00 0.00 C ATOM 660 C ILE A 46 82.576 1.561 8.840 1.00 0.00 C ATOM 661 O ILE A 46 83.054 0.802 9.682 1.00 0.00 O ATOM 662 CB ILE A 46 83.598 1.744 6.572 1.00 0.00 C ATOM 663 CG1 ILE A 46 83.412 1.400 5.091 1.00 0.00 C ATOM 664 CG2 ILE A 46 84.931 1.181 7.062 1.00 0.00 C ATOM 665 CD1 ILE A 46 84.449 2.157 4.259 1.00 0.00 C ATOM 0 H ILE A 46 81.229 2.185 6.047 1.00 0.00 H new ATOM 0 HA ILE A 46 82.523 0.043 7.332 1.00 0.00 H new ATOM 0 HB ILE A 46 83.592 2.827 6.696 1.00 0.00 H new ATOM 0 HG12 ILE A 46 83.522 0.326 4.939 1.00 0.00 H new ATOM 0 HG13 ILE A 46 82.406 1.667 4.768 1.00 0.00 H new ATOM 0 HG21 ILE A 46 85.745 1.617 6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 46 85.064 1.425 8.116 1.00 0.00 H new ATOM 0 HG23 ILE A 46 84.937 0.098 6.937 1.00 0.00 H new ATOM 0 HD11 ILE A 46 84.318 1.913 3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 46 84.318 3.230 4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 46 85.451 1.868 4.576 1.00 0.00 H new ATOM 677 N ASN A 47 82.128 2.774 9.133 1.00 0.00 N ATOM 678 CA ASN A 47 82.186 3.272 10.499 1.00 0.00 C ATOM 679 C ASN A 47 81.513 2.274 11.425 1.00 0.00 C ATOM 680 O ASN A 47 82.048 1.922 12.474 1.00 0.00 O ATOM 681 CB ASN A 47 81.486 4.629 10.598 1.00 0.00 C ATOM 682 CG ASN A 47 82.375 5.715 10.002 1.00 0.00 C ATOM 683 OD1 ASN A 47 83.589 5.706 10.208 1.00 0.00 O ATOM 684 ND2 ASN A 47 81.841 6.655 9.271 1.00 0.00 N ATOM 0 H ASN A 47 81.727 3.422 8.455 1.00 0.00 H new ATOM 0 HA ASN A 47 83.228 3.397 10.792 1.00 0.00 H new ATOM 0 HB2 ASN A 47 80.533 4.596 10.070 1.00 0.00 H new ATOM 0 HB3 ASN A 47 81.265 4.859 11.640 1.00 0.00 H new ATOM 0 HD21 ASN A 47 82.430 7.385 8.869 1.00 0.00 H new ATOM 0 HD22 ASN A 47 80.835 6.660 9.102 1.00 0.00 H new ATOM 691 N ASP A 48 80.340 1.810 11.020 1.00 0.00 N ATOM 692 CA ASP A 48 79.602 0.837 11.807 1.00 0.00 C ATOM 693 C ASP A 48 80.278 -0.527 11.724 1.00 0.00 C ATOM 694 O ASP A 48 80.536 -1.171 12.739 1.00 0.00 O ATOM 695 CB ASP A 48 78.172 0.735 11.273 1.00 0.00 C ATOM 696 CG ASP A 48 77.438 -0.443 11.909 1.00 0.00 C ATOM 697 OD1 ASP A 48 77.989 -1.529 11.915 1.00 0.00 O ATOM 698 OD2 ASP A 48 76.328 -0.241 12.372 1.00 0.00 O ATOM 0 H ASP A 48 79.881 2.091 10.154 1.00 0.00 H new ATOM 0 HA ASP A 48 79.584 1.158 12.848 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.634 1.660 11.482 1.00 0.00 H new ATOM 0 HB3 ASP A 48 78.191 0.615 10.190 1.00 0.00 H new ATOM 703 N TYR A 49 80.568 -0.962 10.506 1.00 0.00 N ATOM 704 CA TYR A 49 81.214 -2.252 10.315 1.00 0.00 C ATOM 705 C TYR A 49 82.455 -2.350 11.193 1.00 0.00 C ATOM 706 O TYR A 49 82.602 -3.283 11.981 1.00 0.00 O ATOM 707 CB TYR A 49 81.608 -2.432 8.848 1.00 0.00 C ATOM 708 CG TYR A 49 81.931 -3.885 8.589 1.00 0.00 C ATOM 709 CD1 TYR A 49 80.898 -4.796 8.337 1.00 0.00 C ATOM 710 CD2 TYR A 49 83.261 -4.319 8.599 1.00 0.00 C ATOM 711 CE1 TYR A 49 81.197 -6.143 8.097 1.00 0.00 C ATOM 712 CE2 TYR A 49 83.560 -5.666 8.359 1.00 0.00 C ATOM 713 CZ TYR A 49 82.528 -6.578 8.108 1.00 0.00 C ATOM 714 OH TYR A 49 82.822 -7.905 7.871 1.00 0.00 O ATOM 0 H TYR A 49 80.370 -0.449 9.647 1.00 0.00 H new ATOM 0 HA TYR A 49 80.513 -3.038 10.596 1.00 0.00 H new ATOM 0 HB2 TYR A 49 80.794 -2.108 8.199 1.00 0.00 H new ATOM 0 HB3 TYR A 49 82.471 -1.809 8.613 1.00 0.00 H new ATOM 0 HD1 TYR A 49 79.872 -4.460 8.328 1.00 0.00 H new ATOM 0 HD2 TYR A 49 84.057 -3.615 8.792 1.00 0.00 H new ATOM 0 HE1 TYR A 49 80.401 -6.846 7.903 1.00 0.00 H new ATOM 0 HE2 TYR A 49 84.587 -6.001 8.368 1.00 0.00 H new ATOM 0 HH TYR A 49 82.273 -8.471 8.453 1.00 0.00 H new ATOM 724 N ILE A 50 83.346 -1.380 11.049 1.00 0.00 N ATOM 725 CA ILE A 50 84.574 -1.361 11.828 1.00 0.00 C ATOM 726 C ILE A 50 84.316 -0.943 13.272 1.00 0.00 C ATOM 727 O ILE A 50 85.077 -1.303 14.171 1.00 0.00 O ATOM 728 CB ILE A 50 85.573 -0.402 11.187 1.00 0.00 C ATOM 729 CG1 ILE A 50 86.179 -1.068 9.950 1.00 0.00 C ATOM 730 CG2 ILE A 50 86.680 -0.071 12.190 1.00 0.00 C ATOM 731 CD1 ILE A 50 87.046 -0.062 9.196 1.00 0.00 C ATOM 0 H ILE A 50 83.242 -0.598 10.402 1.00 0.00 H new ATOM 0 HA ILE A 50 84.982 -2.372 11.838 1.00 0.00 H new ATOM 0 HB ILE A 50 85.068 0.519 10.897 1.00 0.00 H new ATOM 0 HG12 ILE A 50 86.778 -1.929 10.246 1.00 0.00 H new ATOM 0 HG13 ILE A 50 85.387 -1.439 9.300 1.00 0.00 H new ATOM 0 HG21 ILE A 50 87.393 0.614 11.732 1.00 0.00 H new ATOM 0 HG22 ILE A 50 86.243 0.397 13.073 1.00 0.00 H new ATOM 0 HG23 ILE A 50 87.193 -0.988 12.481 1.00 0.00 H new ATOM 0 HD11 ILE A 50 87.476 -0.540 8.316 1.00 0.00 H new ATOM 0 HD12 ILE A 50 86.434 0.785 8.887 1.00 0.00 H new ATOM 0 HD13 ILE A 50 87.847 0.287 9.847 1.00 0.00 H new ATOM 743 N SER A 51 83.256 -0.164 13.494 1.00 0.00 N ATOM 744 CA SER A 51 82.951 0.303 14.848 1.00 0.00 C ATOM 745 C SER A 51 81.602 -0.209 15.354 1.00 0.00 C ATOM 746 O SER A 51 80.872 0.519 16.026 1.00 0.00 O ATOM 747 CB SER A 51 82.962 1.831 14.892 1.00 0.00 C ATOM 748 OG SER A 51 83.453 2.259 16.155 1.00 0.00 O ATOM 0 H SER A 51 82.607 0.151 12.773 1.00 0.00 H new ATOM 0 HA SER A 51 83.724 -0.098 15.503 1.00 0.00 H new ATOM 0 HB2 SER A 51 83.589 2.225 14.092 1.00 0.00 H new ATOM 0 HB3 SER A 51 81.956 2.219 14.729 1.00 0.00 H new ATOM 0 HG SER A 51 83.764 3.186 16.088 1.00 0.00 H new ATOM 754 N ARG A 52 81.281 -1.465 15.059 1.00 0.00 N ATOM 755 CA ARG A 52 80.025 -2.044 15.529 1.00 0.00 C ATOM 756 C ARG A 52 79.788 -3.427 14.930 1.00 0.00 C ATOM 757 O ARG A 52 79.412 -4.357 15.644 1.00 0.00 O ATOM 758 CB ARG A 52 78.841 -1.125 15.194 1.00 0.00 C ATOM 759 CG ARG A 52 77.591 -1.972 14.930 1.00 0.00 C ATOM 760 CD ARG A 52 76.356 -1.073 14.922 1.00 0.00 C ATOM 761 NE ARG A 52 75.755 -1.027 16.250 1.00 0.00 N ATOM 762 CZ ARG A 52 75.112 -2.076 16.753 1.00 0.00 C ATOM 763 NH1 ARG A 52 75.010 -3.176 16.057 1.00 0.00 N ATOM 764 NH2 ARG A 52 74.584 -2.006 17.945 1.00 0.00 N ATOM 0 H ARG A 52 81.862 -2.094 14.505 1.00 0.00 H new ATOM 0 HA ARG A 52 80.102 -2.146 16.611 1.00 0.00 H new ATOM 0 HB2 ARG A 52 78.658 -0.436 16.018 1.00 0.00 H new ATOM 0 HB3 ARG A 52 79.074 -0.520 14.318 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.684 -2.488 13.974 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.490 -2.739 15.698 1.00 0.00 H new ATOM 0 HD2 ARG A 52 76.632 -0.067 14.605 1.00 0.00 H new ATOM 0 HD3 ARG A 52 75.630 -1.447 14.200 1.00 0.00 H new ATOM 0 HE ARG A 52 75.830 -0.173 16.803 1.00 0.00 H new ATOM 0 HH11 ARG A 52 75.424 -3.231 15.126 1.00 0.00 H new ATOM 0 HH12 ARG A 52 74.516 -3.980 16.444 1.00 0.00 H new ATOM 0 HH21 ARG A 52 74.665 -1.147 18.489 1.00 0.00 H new ATOM 0 HH22 ARG A 52 74.090 -2.810 18.332 1.00 0.00 H new ATOM 778 N TYR A 53 79.998 -3.566 13.624 1.00 0.00 N ATOM 779 CA TYR A 53 79.785 -4.857 12.976 1.00 0.00 C ATOM 780 C TYR A 53 80.987 -5.236 12.117 1.00 0.00 C ATOM 781 O TYR A 53 80.907 -5.267 10.889 1.00 0.00 O ATOM 782 CB TYR A 53 78.511 -4.817 12.115 1.00 0.00 C ATOM 783 CG TYR A 53 77.337 -5.355 12.908 1.00 0.00 C ATOM 784 CD1 TYR A 53 77.375 -6.652 13.443 1.00 0.00 C ATOM 785 CD2 TYR A 53 76.205 -4.554 13.109 1.00 0.00 C ATOM 786 CE1 TYR A 53 76.287 -7.142 14.176 1.00 0.00 C ATOM 787 CE2 TYR A 53 75.117 -5.046 13.841 1.00 0.00 C ATOM 788 CZ TYR A 53 75.160 -6.339 14.376 1.00 0.00 C ATOM 789 OH TYR A 53 74.087 -6.822 15.099 1.00 0.00 O ATOM 0 H TYR A 53 80.309 -2.818 13.004 1.00 0.00 H new ATOM 0 HA TYR A 53 79.664 -5.613 13.752 1.00 0.00 H new ATOM 0 HB2 TYR A 53 78.308 -3.794 11.797 1.00 0.00 H new ATOM 0 HB3 TYR A 53 78.653 -5.410 11.211 1.00 0.00 H new ATOM 0 HD1 TYR A 53 78.245 -7.273 13.289 1.00 0.00 H new ATOM 0 HD2 TYR A 53 76.171 -3.556 12.699 1.00 0.00 H new ATOM 0 HE1 TYR A 53 76.318 -8.140 14.587 1.00 0.00 H new ATOM 0 HE2 TYR A 53 74.245 -4.428 13.993 1.00 0.00 H new ATOM 0 HH TYR A 53 73.388 -6.137 15.144 1.00 0.00 H new ATOM 799 N ARG A 54 82.103 -5.525 12.778 1.00 0.00 N ATOM 800 CA ARG A 54 83.323 -5.901 12.074 1.00 0.00 C ATOM 801 C ARG A 54 83.335 -7.397 11.775 1.00 0.00 C ATOM 802 O ARG A 54 84.154 -7.875 10.990 1.00 0.00 O ATOM 803 CB ARG A 54 84.544 -5.535 12.920 1.00 0.00 C ATOM 804 CG ARG A 54 84.122 -5.363 14.382 1.00 0.00 C ATOM 805 CD ARG A 54 85.354 -5.060 15.237 1.00 0.00 C ATOM 806 NE ARG A 54 85.391 -5.941 16.401 1.00 0.00 N ATOM 807 CZ ARG A 54 85.925 -7.155 16.327 1.00 0.00 C ATOM 808 NH1 ARG A 54 86.428 -7.579 15.201 1.00 0.00 N ATOM 809 NH2 ARG A 54 85.949 -7.922 17.382 1.00 0.00 N ATOM 0 H ARG A 54 82.188 -5.506 13.794 1.00 0.00 H new ATOM 0 HA ARG A 54 83.358 -5.358 11.130 1.00 0.00 H new ATOM 0 HB2 ARG A 54 85.302 -6.314 12.839 1.00 0.00 H new ATOM 0 HB3 ARG A 54 84.993 -4.613 12.550 1.00 0.00 H new ATOM 0 HG2 ARG A 54 83.398 -4.553 14.470 1.00 0.00 H new ATOM 0 HG3 ARG A 54 83.632 -6.269 14.739 1.00 0.00 H new ATOM 0 HD2 ARG A 54 86.259 -5.192 14.643 1.00 0.00 H new ATOM 0 HD3 ARG A 54 85.334 -4.019 15.560 1.00 0.00 H new ATOM 0 HE ARG A 54 85.000 -5.619 17.286 1.00 0.00 H new ATOM 0 HH11 ARG A 54 86.411 -6.978 14.377 1.00 0.00 H new ATOM 0 HH12 ARG A 54 86.838 -8.511 15.145 1.00 0.00 H new ATOM 0 HH21 ARG A 54 85.558 -7.589 18.263 1.00 0.00 H new ATOM 0 HH22 ARG A 54 86.359 -8.854 17.326 1.00 0.00 H new ATOM 823 N ARG A 55 82.422 -8.132 12.403 1.00 0.00 N ATOM 824 CA ARG A 55 82.341 -9.574 12.191 1.00 0.00 C ATOM 825 C ARG A 55 82.526 -9.905 10.713 1.00 0.00 C ATOM 826 O ARG A 55 81.793 -9.403 9.859 1.00 0.00 O ATOM 827 CB ARG A 55 80.985 -10.099 12.668 1.00 0.00 C ATOM 828 CG ARG A 55 81.192 -11.357 13.516 1.00 0.00 C ATOM 829 CD ARG A 55 81.720 -10.963 14.897 1.00 0.00 C ATOM 830 NE ARG A 55 80.633 -10.954 15.871 1.00 0.00 N ATOM 831 CZ ARG A 55 80.876 -10.805 17.169 1.00 0.00 C ATOM 832 NH1 ARG A 55 82.101 -10.664 17.592 1.00 0.00 N ATOM 833 NH2 ARG A 55 79.887 -10.801 18.021 1.00 0.00 N ATOM 0 H ARG A 55 81.734 -7.758 13.057 1.00 0.00 H new ATOM 0 HA ARG A 55 83.135 -10.053 12.764 1.00 0.00 H new ATOM 0 HB2 ARG A 55 80.472 -9.335 13.252 1.00 0.00 H new ATOM 0 HB3 ARG A 55 80.350 -10.326 11.812 1.00 0.00 H new ATOM 0 HG2 ARG A 55 80.252 -11.899 13.616 1.00 0.00 H new ATOM 0 HG3 ARG A 55 81.896 -12.028 13.024 1.00 0.00 H new ATOM 0 HD2 ARG A 55 82.494 -11.664 15.212 1.00 0.00 H new ATOM 0 HD3 ARG A 55 82.183 -9.977 14.849 1.00 0.00 H new ATOM 0 HE ARG A 55 79.671 -11.064 15.550 1.00 0.00 H new ATOM 0 HH11 ARG A 55 82.874 -10.668 16.927 1.00 0.00 H new ATOM 0 HH12 ARG A 55 82.286 -10.550 18.588 1.00 0.00 H new ATOM 0 HH21 ARG A 55 78.929 -10.912 17.690 1.00 0.00 H new ATOM 0 HH22 ARG A 55 80.073 -10.687 19.017 1.00 0.00 H new ATOM 847 N LYS A 56 83.508 -10.750 10.417 1.00 0.00 N ATOM 848 CA LYS A 56 83.777 -11.137 9.037 1.00 0.00 C ATOM 849 C LYS A 56 84.085 -12.629 8.946 1.00 0.00 C ATOM 850 O LYS A 56 83.549 -13.431 9.710 1.00 0.00 O ATOM 851 CB LYS A 56 84.960 -10.334 8.492 1.00 0.00 C ATOM 852 CG LYS A 56 86.239 -10.744 9.223 1.00 0.00 C ATOM 853 CD LYS A 56 87.203 -9.557 9.268 1.00 0.00 C ATOM 854 CE LYS A 56 88.441 -9.933 10.085 1.00 0.00 C ATOM 855 NZ LYS A 56 88.213 -9.595 11.518 1.00 0.00 N ATOM 0 H LYS A 56 84.126 -11.177 11.107 1.00 0.00 H new ATOM 0 HA LYS A 56 82.889 -10.926 8.441 1.00 0.00 H new ATOM 0 HB2 LYS A 56 85.069 -10.509 7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 56 84.780 -9.267 8.624 1.00 0.00 H new ATOM 0 HG2 LYS A 56 86.003 -11.073 10.235 1.00 0.00 H new ATOM 0 HG3 LYS A 56 86.707 -11.587 8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 56 87.494 -9.273 8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 56 86.710 -8.692 9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 56 88.649 -10.998 9.980 1.00 0.00 H new ATOM 0 HE3 LYS A 56 89.314 -9.399 9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 89.054 -9.851 12.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 88.034 -8.575 11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 87.391 -10.124 11.873 1.00 0.00 H new ATOM 869 N GLY A 57 84.949 -12.993 8.004 1.00 0.00 N ATOM 870 CA GLY A 57 85.319 -14.392 7.819 1.00 0.00 C ATOM 871 C GLY A 57 86.170 -14.890 8.981 1.00 0.00 C ATOM 872 O GLY A 57 85.827 -15.872 9.638 1.00 0.00 O ATOM 0 H GLY A 57 85.403 -12.344 7.361 1.00 0.00 H new ATOM 0 HA2 GLY A 57 84.419 -15.002 7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 57 85.870 -14.506 6.885 1.00 0.00 H new ATOM 876 N ASP A 58 87.284 -14.208 9.228 1.00 0.00 N ATOM 877 CA ASP A 58 88.180 -14.592 10.313 1.00 0.00 C ATOM 878 C ASP A 58 88.654 -16.030 10.131 1.00 0.00 C ATOM 879 O ASP A 58 88.761 -16.784 11.097 1.00 0.00 O ATOM 880 CB ASP A 58 87.464 -14.456 11.658 1.00 0.00 C ATOM 881 CG ASP A 58 88.486 -14.316 12.781 1.00 0.00 C ATOM 882 OD1 ASP A 58 89.440 -13.579 12.598 1.00 0.00 O ATOM 883 OD2 ASP A 58 88.301 -14.950 13.807 1.00 0.00 O ATOM 0 H ASP A 58 87.586 -13.392 8.696 1.00 0.00 H new ATOM 0 HA ASP A 58 89.045 -13.929 10.295 1.00 0.00 H new ATOM 0 HB2 ASP A 58 86.807 -13.587 11.643 1.00 0.00 H new ATOM 0 HB3 ASP A 58 86.835 -15.329 11.834 1.00 0.00 H new ATOM 888 N ALA A 59 88.938 -16.400 8.887 1.00 0.00 N ATOM 889 CA ALA A 59 89.402 -17.751 8.590 1.00 0.00 C ATOM 890 C ALA A 59 90.833 -17.942 9.081 1.00 0.00 C ATOM 891 O ALA A 59 91.346 -19.061 9.111 1.00 0.00 O ATOM 892 CB ALA A 59 89.340 -18.006 7.083 1.00 0.00 C ATOM 0 H ALA A 59 88.856 -15.790 8.074 1.00 0.00 H new ATOM 0 HA ALA A 59 88.753 -18.460 9.104 1.00 0.00 H new ATOM 0 HB1 ALA A 59 89.688 -19.017 6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 59 88.312 -17.896 6.737 1.00 0.00 H new ATOM 0 HB3 ALA A 59 89.976 -17.287 6.566 1.00 0.00 H new ATOM 898 N GLY A 60 91.470 -16.841 9.466 1.00 0.00 N ATOM 899 CA GLY A 60 92.842 -16.895 9.956 1.00 0.00 C ATOM 900 C GLY A 60 93.835 -16.605 8.836 1.00 0.00 C ATOM 901 O GLY A 60 94.980 -17.056 8.876 1.00 0.00 O ATOM 0 H GLY A 60 91.061 -15.907 9.448 1.00 0.00 H new ATOM 0 HA2 GLY A 60 92.973 -16.171 10.760 1.00 0.00 H new ATOM 0 HA3 GLY A 60 93.042 -17.880 10.378 1.00 0.00 H new ATOM 905 N GLY A 61 93.391 -15.850 7.835 1.00 0.00 N ATOM 906 CA GLY A 61 94.255 -15.510 6.710 1.00 0.00 C ATOM 907 C GLY A 61 93.685 -14.342 5.911 1.00 0.00 C ATOM 908 O GLY A 61 94.423 -13.619 5.240 1.00 0.00 O ATOM 0 H GLY A 61 92.448 -15.466 7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 61 95.249 -15.253 7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 61 94.369 -16.378 6.060 1.00 0.00 H new ATOM 912 N LEU A 62 92.369 -14.167 5.984 1.00 0.00 N ATOM 913 CA LEU A 62 91.705 -13.088 5.264 1.00 0.00 C ATOM 914 C LEU A 62 92.592 -11.847 5.201 1.00 0.00 C ATOM 915 O LEU A 62 93.059 -11.352 6.227 1.00 0.00 O ATOM 916 CB LEU A 62 90.387 -12.739 5.957 1.00 0.00 C ATOM 917 CG LEU A 62 89.339 -12.363 4.909 1.00 0.00 C ATOM 918 CD1 LEU A 62 88.589 -13.618 4.462 1.00 0.00 C ATOM 919 CD2 LEU A 62 88.348 -11.366 5.516 1.00 0.00 C ATOM 0 H LEU A 62 91.744 -14.757 6.533 1.00 0.00 H new ATOM 0 HA LEU A 62 91.509 -13.426 4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 62 90.039 -13.587 6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 62 90.537 -11.911 6.649 1.00 0.00 H new ATOM 0 HG LEU A 62 89.832 -11.910 4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 62 87.842 -13.349 3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 62 89.294 -14.329 4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 62 88.095 -14.072 5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 62 87.600 -11.097 4.770 1.00 0.00 H new ATOM 0 HD22 LEU A 62 87.856 -11.820 6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 62 88.882 -10.471 5.834 1.00 0.00 H new ATOM 931 N LYS A 63 92.818 -11.351 3.989 1.00 0.00 N ATOM 932 CA LYS A 63 93.649 -10.167 3.798 1.00 0.00 C ATOM 933 C LYS A 63 92.814 -9.011 3.257 1.00 0.00 C ATOM 934 O LYS A 63 93.149 -7.843 3.454 1.00 0.00 O ATOM 935 CB LYS A 63 94.783 -10.481 2.822 1.00 0.00 C ATOM 936 CG LYS A 63 95.780 -9.320 2.801 1.00 0.00 C ATOM 937 CD LYS A 63 96.999 -9.714 1.963 1.00 0.00 C ATOM 938 CE LYS A 63 97.418 -8.535 1.085 1.00 0.00 C ATOM 939 NZ LYS A 63 96.413 -8.340 0.001 1.00 0.00 N ATOM 0 H LYS A 63 92.440 -11.747 3.129 1.00 0.00 H new ATOM 0 HA LYS A 63 94.068 -9.878 4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 63 95.287 -11.401 3.119 1.00 0.00 H new ATOM 0 HB3 LYS A 63 94.381 -10.646 1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 63 95.310 -8.430 2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 63 96.088 -9.072 3.817 1.00 0.00 H new ATOM 0 HD2 LYS A 63 97.822 -10.006 2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 63 96.762 -10.578 1.342 1.00 0.00 H new ATOM 0 HE2 LYS A 63 97.499 -7.630 1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 63 98.402 -8.720 0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 96.867 -7.882 -0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 96.031 -9.263 -0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 95.639 -7.739 0.349 1.00 0.00 H new ATOM 953 N SER A 64 91.724 -9.347 2.575 1.00 0.00 N ATOM 954 CA SER A 64 90.845 -8.332 2.006 1.00 0.00 C ATOM 955 C SER A 64 90.412 -7.332 3.075 1.00 0.00 C ATOM 956 O SER A 64 90.170 -6.162 2.781 1.00 0.00 O ATOM 957 CB SER A 64 89.611 -8.998 1.397 1.00 0.00 C ATOM 958 OG SER A 64 88.842 -9.598 2.431 1.00 0.00 O ATOM 0 H SER A 64 91.429 -10.308 2.404 1.00 0.00 H new ATOM 0 HA SER A 64 91.392 -7.797 1.230 1.00 0.00 H new ATOM 0 HB2 SER A 64 89.011 -8.260 0.864 1.00 0.00 H new ATOM 0 HB3 SER A 64 89.912 -9.751 0.669 1.00 0.00 H new ATOM 0 HG SER A 64 88.049 -10.024 2.044 1.00 0.00 H new ATOM 964 N PHE A 65 90.315 -7.800 4.315 1.00 0.00 N ATOM 965 CA PHE A 65 89.909 -6.935 5.417 1.00 0.00 C ATOM 966 C PHE A 65 90.969 -5.873 5.687 1.00 0.00 C ATOM 967 O PHE A 65 90.649 -4.714 5.948 1.00 0.00 O ATOM 968 CB PHE A 65 89.687 -7.765 6.682 1.00 0.00 C ATOM 969 CG PHE A 65 90.288 -7.044 7.865 1.00 0.00 C ATOM 970 CD1 PHE A 65 89.800 -5.786 8.241 1.00 0.00 C ATOM 971 CD2 PHE A 65 91.333 -7.633 8.587 1.00 0.00 C ATOM 972 CE1 PHE A 65 90.356 -5.118 9.338 1.00 0.00 C ATOM 973 CE2 PHE A 65 91.890 -6.964 9.684 1.00 0.00 C ATOM 974 CZ PHE A 65 91.402 -5.707 10.060 1.00 0.00 C ATOM 0 H PHE A 65 90.510 -8.765 4.581 1.00 0.00 H new ATOM 0 HA PHE A 65 88.978 -6.442 5.137 1.00 0.00 H new ATOM 0 HB2 PHE A 65 88.621 -7.926 6.843 1.00 0.00 H new ATOM 0 HB3 PHE A 65 90.144 -8.748 6.570 1.00 0.00 H new ATOM 0 HD1 PHE A 65 88.994 -5.331 7.684 1.00 0.00 H new ATOM 0 HD2 PHE A 65 91.709 -8.603 8.298 1.00 0.00 H new ATOM 0 HE1 PHE A 65 89.979 -4.148 9.628 1.00 0.00 H new ATOM 0 HE2 PHE A 65 92.697 -7.418 10.240 1.00 0.00 H new ATOM 0 HZ PHE A 65 91.832 -5.192 10.906 1.00 0.00 H new ATOM 984 N THR A 66 92.233 -6.276 5.626 1.00 0.00 N ATOM 985 CA THR A 66 93.330 -5.347 5.870 1.00 0.00 C ATOM 986 C THR A 66 93.310 -4.212 4.852 1.00 0.00 C ATOM 987 O THR A 66 93.730 -3.093 5.149 1.00 0.00 O ATOM 988 CB THR A 66 94.667 -6.086 5.795 1.00 0.00 C ATOM 989 OG1 THR A 66 94.627 -7.222 6.648 1.00 0.00 O ATOM 990 CG2 THR A 66 95.794 -5.153 6.239 1.00 0.00 C ATOM 0 H THR A 66 92.522 -7.230 5.412 1.00 0.00 H new ATOM 0 HA THR A 66 93.207 -4.923 6.867 1.00 0.00 H new ATOM 0 HB THR A 66 94.847 -6.407 4.769 1.00 0.00 H new ATOM 0 HG1 THR A 66 95.482 -7.698 6.600 1.00 0.00 H new ATOM 0 HG21 THR A 66 96.746 -5.681 6.185 1.00 0.00 H new ATOM 0 HG22 THR A 66 95.824 -4.282 5.584 1.00 0.00 H new ATOM 0 HG23 THR A 66 95.616 -4.830 7.265 1.00 0.00 H new ATOM 998 N THR A 67 92.816 -4.502 3.652 1.00 0.00 N ATOM 999 CA THR A 67 92.744 -3.492 2.607 1.00 0.00 C ATOM 1000 C THR A 67 91.632 -2.499 2.912 1.00 0.00 C ATOM 1001 O THR A 67 91.783 -1.297 2.694 1.00 0.00 O ATOM 1002 CB THR A 67 92.471 -4.157 1.261 1.00 0.00 C ATOM 1003 OG1 THR A 67 92.457 -5.568 1.424 1.00 0.00 O ATOM 1004 CG2 THR A 67 93.557 -3.766 0.259 1.00 0.00 C ATOM 0 H THR A 67 92.463 -5.420 3.383 1.00 0.00 H new ATOM 0 HA THR A 67 93.696 -2.963 2.567 1.00 0.00 H new ATOM 0 HB THR A 67 91.503 -3.825 0.885 1.00 0.00 H new ATOM 0 HG1 THR A 67 93.361 -5.922 1.290 1.00 0.00 H new ATOM 0 HG21 THR A 67 93.356 -4.244 -0.700 1.00 0.00 H new ATOM 0 HG22 THR A 67 93.561 -2.684 0.131 1.00 0.00 H new ATOM 0 HG23 THR A 67 94.529 -4.091 0.630 1.00 0.00 H new ATOM 1012 N MET A 68 90.515 -3.008 3.425 1.00 0.00 N ATOM 1013 CA MET A 68 89.391 -2.146 3.761 1.00 0.00 C ATOM 1014 C MET A 68 89.880 -0.995 4.624 1.00 0.00 C ATOM 1015 O MET A 68 89.420 0.138 4.486 1.00 0.00 O ATOM 1016 CB MET A 68 88.315 -2.943 4.506 1.00 0.00 C ATOM 1017 CG MET A 68 87.484 -3.743 3.499 1.00 0.00 C ATOM 1018 SD MET A 68 86.453 -2.610 2.536 1.00 0.00 S ATOM 1019 CE MET A 68 84.858 -3.102 3.234 1.00 0.00 C ATOM 0 H MET A 68 90.367 -3.999 3.614 1.00 0.00 H new ATOM 0 HA MET A 68 88.955 -1.751 2.844 1.00 0.00 H new ATOM 0 HB2 MET A 68 88.779 -3.616 5.227 1.00 0.00 H new ATOM 0 HB3 MET A 68 87.672 -2.267 5.070 1.00 0.00 H new ATOM 0 HG2 MET A 68 88.140 -4.308 2.836 1.00 0.00 H new ATOM 0 HG3 MET A 68 86.858 -4.467 4.021 1.00 0.00 H new ATOM 0 HE1 MET A 68 84.076 -2.446 2.852 1.00 0.00 H new ATOM 0 HE2 MET A 68 84.639 -4.131 2.950 1.00 0.00 H new ATOM 0 HE3 MET A 68 84.897 -3.026 4.321 1.00 0.00 H new ATOM 1029 N GLN A 69 90.838 -1.289 5.499 1.00 0.00 N ATOM 1030 CA GLN A 69 91.407 -0.264 6.364 1.00 0.00 C ATOM 1031 C GLN A 69 92.400 0.574 5.570 1.00 0.00 C ATOM 1032 O GLN A 69 92.651 1.734 5.895 1.00 0.00 O ATOM 1033 CB GLN A 69 92.111 -0.913 7.557 1.00 0.00 C ATOM 1034 CG GLN A 69 92.061 0.034 8.758 1.00 0.00 C ATOM 1035 CD GLN A 69 92.679 -0.640 9.979 1.00 0.00 C ATOM 1036 OE1 GLN A 69 93.895 -0.823 10.039 1.00 0.00 O ATOM 1037 NE2 GLN A 69 91.910 -1.022 10.960 1.00 0.00 N ATOM 0 H GLN A 69 91.233 -2.221 5.626 1.00 0.00 H new ATOM 0 HA GLN A 69 90.607 0.376 6.736 1.00 0.00 H new ATOM 0 HB2 GLN A 69 91.630 -1.859 7.806 1.00 0.00 H new ATOM 0 HB3 GLN A 69 93.146 -1.140 7.302 1.00 0.00 H new ATOM 0 HG2 GLN A 69 92.599 0.954 8.529 1.00 0.00 H new ATOM 0 HG3 GLN A 69 91.029 0.312 8.969 1.00 0.00 H new ATOM 0 HE21 GLN A 69 90.903 -0.869 10.908 1.00 0.00 H new ATOM 0 HE22 GLN A 69 92.315 -1.474 11.780 1.00 0.00 H new ATOM 1046 N THR A 70 92.952 -0.022 4.516 1.00 0.00 N ATOM 1047 CA THR A 70 93.905 0.678 3.667 1.00 0.00 C ATOM 1048 C THR A 70 93.173 1.699 2.805 1.00 0.00 C ATOM 1049 O THR A 70 93.565 2.865 2.738 1.00 0.00 O ATOM 1050 CB THR A 70 94.649 -0.318 2.773 1.00 0.00 C ATOM 1051 OG1 THR A 70 95.073 -1.427 3.553 1.00 0.00 O ATOM 1052 CG2 THR A 70 95.868 0.364 2.149 1.00 0.00 C ATOM 0 H THR A 70 92.756 -0.982 4.233 1.00 0.00 H new ATOM 0 HA THR A 70 94.629 1.192 4.299 1.00 0.00 H new ATOM 0 HB THR A 70 93.984 -0.663 1.981 1.00 0.00 H new ATOM 0 HG1 THR A 70 94.298 -1.830 3.997 1.00 0.00 H new ATOM 0 HG21 THR A 70 96.396 -0.346 1.513 1.00 0.00 H new ATOM 0 HG22 THR A 70 95.542 1.215 1.550 1.00 0.00 H new ATOM 0 HG23 THR A 70 96.535 0.710 2.938 1.00 0.00 H new ATOM 1060 N ALA A 71 92.097 1.258 2.156 1.00 0.00 N ATOM 1061 CA ALA A 71 91.312 2.156 1.314 1.00 0.00 C ATOM 1062 C ALA A 71 90.566 3.170 2.176 1.00 0.00 C ATOM 1063 O ALA A 71 90.365 4.312 1.771 1.00 0.00 O ATOM 1064 CB ALA A 71 90.309 1.365 0.476 1.00 0.00 C ATOM 0 H ALA A 71 91.753 0.299 2.196 1.00 0.00 H new ATOM 0 HA ALA A 71 91.995 2.682 0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 71 89.733 2.051 -0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 71 90.843 0.660 -0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 71 89.634 0.819 1.135 1.00 0.00 H new ATOM 1070 N LEU A 72 90.154 2.744 3.366 1.00 0.00 N ATOM 1071 CA LEU A 72 89.431 3.632 4.271 1.00 0.00 C ATOM 1072 C LEU A 72 90.226 4.912 4.503 1.00 0.00 C ATOM 1073 O LEU A 72 89.692 6.015 4.387 1.00 0.00 O ATOM 1074 CB LEU A 72 89.189 2.928 5.611 1.00 0.00 C ATOM 1075 CG LEU A 72 88.433 3.861 6.562 1.00 0.00 C ATOM 1076 CD1 LEU A 72 87.061 4.190 5.971 1.00 0.00 C ATOM 1077 CD2 LEU A 72 88.249 3.166 7.913 1.00 0.00 C ATOM 0 H LEU A 72 90.306 1.801 3.724 1.00 0.00 H new ATOM 0 HA LEU A 72 88.473 3.886 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 72 88.617 2.014 5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 72 90.141 2.635 6.055 1.00 0.00 H new ATOM 0 HG LEU A 72 89.001 4.781 6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 72 86.523 4.854 6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 72 87.189 4.681 5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 72 86.492 3.270 5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 72 87.711 3.827 8.592 1.00 0.00 H new ATOM 0 HD22 LEU A 72 87.679 2.247 7.775 1.00 0.00 H new ATOM 0 HD23 LEU A 72 89.225 2.928 8.336 1.00 0.00 H new ATOM 1089 N ASN A 73 91.503 4.756 4.834 1.00 0.00 N ATOM 1090 CA ASN A 73 92.362 5.910 5.083 1.00 0.00 C ATOM 1091 C ASN A 73 92.650 6.665 3.787 1.00 0.00 C ATOM 1092 O ASN A 73 92.697 7.895 3.774 1.00 0.00 O ATOM 1093 CB ASN A 73 93.679 5.454 5.716 1.00 0.00 C ATOM 1094 CG ASN A 73 93.993 6.310 6.938 1.00 0.00 C ATOM 1095 OD1 ASN A 73 93.256 6.281 7.924 1.00 0.00 O ATOM 1096 ND2 ASN A 73 95.051 7.075 6.933 1.00 0.00 N ATOM 0 H ASN A 73 91.964 3.852 4.936 1.00 0.00 H new ATOM 0 HA ASN A 73 91.842 6.581 5.767 1.00 0.00 H new ATOM 0 HB2 ASN A 73 93.610 4.405 6.004 1.00 0.00 H new ATOM 0 HB3 ASN A 73 94.488 5.532 4.989 1.00 0.00 H new ATOM 0 HD21 ASN A 73 95.268 7.650 7.747 1.00 0.00 H new ATOM 0 HD22 ASN A 73 95.660 7.098 6.115 1.00 0.00 H new ATOM 1103 N SER A 74 92.847 5.925 2.701 1.00 0.00 N ATOM 1104 CA SER A 74 93.133 6.543 1.410 1.00 0.00 C ATOM 1105 C SER A 74 91.901 7.261 0.871 1.00 0.00 C ATOM 1106 O SER A 74 91.935 8.464 0.611 1.00 0.00 O ATOM 1107 CB SER A 74 93.577 5.477 0.409 1.00 0.00 C ATOM 1108 OG SER A 74 92.718 5.513 -0.724 1.00 0.00 O ATOM 0 H SER A 74 92.815 4.906 2.687 1.00 0.00 H new ATOM 0 HA SER A 74 93.932 7.271 1.549 1.00 0.00 H new ATOM 0 HB2 SER A 74 94.608 5.654 0.104 1.00 0.00 H new ATOM 0 HB3 SER A 74 93.547 4.491 0.872 1.00 0.00 H new ATOM 0 HG SER A 74 92.401 4.607 -0.923 1.00 0.00 H new ATOM 1114 N LEU A 75 90.814 6.516 0.709 1.00 0.00 N ATOM 1115 CA LEU A 75 89.575 7.092 0.201 1.00 0.00 C ATOM 1116 C LEU A 75 89.099 8.208 1.125 1.00 0.00 C ATOM 1117 O LEU A 75 88.411 9.133 0.692 1.00 0.00 O ATOM 1118 CB LEU A 75 88.499 6.006 0.091 1.00 0.00 C ATOM 1119 CG LEU A 75 87.842 5.779 1.459 1.00 0.00 C ATOM 1120 CD1 LEU A 75 86.738 6.817 1.713 1.00 0.00 C ATOM 1121 CD2 LEU A 75 87.229 4.377 1.496 1.00 0.00 C ATOM 0 H LEU A 75 90.765 5.519 0.920 1.00 0.00 H new ATOM 0 HA LEU A 75 89.759 7.509 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.746 6.301 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 75 88.943 5.077 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 75 88.603 5.881 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 75 86.286 6.637 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 75 87.168 7.818 1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 75 85.975 6.734 0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.761 4.210 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 75 86.479 4.287 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 75 88.011 3.634 1.338 1.00 0.00 H new ATOM 1133 N ALA A 76 89.476 8.116 2.396 1.00 0.00 N ATOM 1134 CA ALA A 76 89.087 9.127 3.372 1.00 0.00 C ATOM 1135 C ALA A 76 89.736 10.464 3.033 1.00 0.00 C ATOM 1136 O ALA A 76 89.145 11.524 3.244 1.00 0.00 O ATOM 1137 CB ALA A 76 89.512 8.691 4.775 1.00 0.00 C ATOM 0 H ALA A 76 90.046 7.358 2.772 1.00 0.00 H new ATOM 0 HA ALA A 76 88.003 9.240 3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 76 89.217 9.452 5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 76 89.028 7.747 5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 76 90.594 8.563 4.804 1.00 0.00 H new ATOM 1143 N GLY A 77 90.952 10.406 2.500 1.00 0.00 N ATOM 1144 CA GLY A 77 91.672 11.618 2.130 1.00 0.00 C ATOM 1145 C GLY A 77 91.037 12.267 0.907 1.00 0.00 C ATOM 1146 O GLY A 77 91.122 13.482 0.721 1.00 0.00 O ATOM 0 H GLY A 77 91.456 9.539 2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 77 91.667 12.319 2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 77 92.715 11.379 1.921 1.00 0.00 H new ATOM 1150 N TYR A 78 90.395 11.450 0.077 1.00 0.00 N ATOM 1151 CA TYR A 78 89.745 11.956 -1.125 1.00 0.00 C ATOM 1152 C TYR A 78 88.564 12.846 -0.755 1.00 0.00 C ATOM 1153 O TYR A 78 88.179 13.732 -1.518 1.00 0.00 O ATOM 1154 CB TYR A 78 89.254 10.790 -1.986 1.00 0.00 C ATOM 1155 CG TYR A 78 88.636 11.329 -3.254 1.00 0.00 C ATOM 1156 CD1 TYR A 78 89.420 12.048 -4.164 1.00 0.00 C ATOM 1157 CD2 TYR A 78 87.279 11.110 -3.519 1.00 0.00 C ATOM 1158 CE1 TYR A 78 88.847 12.549 -5.338 1.00 0.00 C ATOM 1159 CE2 TYR A 78 86.706 11.610 -4.694 1.00 0.00 C ATOM 1160 CZ TYR A 78 87.490 12.331 -5.603 1.00 0.00 C ATOM 1161 OH TYR A 78 86.924 12.825 -6.762 1.00 0.00 O ATOM 0 H TYR A 78 90.312 10.443 0.214 1.00 0.00 H new ATOM 0 HA TYR A 78 90.470 12.543 -1.689 1.00 0.00 H new ATOM 0 HB2 TYR A 78 90.084 10.126 -2.227 1.00 0.00 H new ATOM 0 HB3 TYR A 78 88.523 10.199 -1.435 1.00 0.00 H new ATOM 0 HD1 TYR A 78 90.467 12.216 -3.960 1.00 0.00 H new ATOM 0 HD2 TYR A 78 86.674 10.555 -2.817 1.00 0.00 H new ATOM 0 HE1 TYR A 78 89.452 13.104 -6.040 1.00 0.00 H new ATOM 0 HE2 TYR A 78 85.659 11.440 -4.900 1.00 0.00 H new ATOM 0 HH TYR A 78 85.975 12.584 -6.791 1.00 0.00 H new ATOM 1171 N TYR A 79 87.998 12.605 0.422 1.00 0.00 N ATOM 1172 CA TYR A 79 86.861 13.390 0.888 1.00 0.00 C ATOM 1173 C TYR A 79 87.333 14.710 1.488 1.00 0.00 C ATOM 1174 O TYR A 79 86.784 15.771 1.190 1.00 0.00 O ATOM 1175 CB TYR A 79 86.076 12.601 1.937 1.00 0.00 C ATOM 1176 CG TYR A 79 84.917 13.434 2.430 1.00 0.00 C ATOM 1177 CD1 TYR A 79 85.101 14.334 3.486 1.00 0.00 C ATOM 1178 CD2 TYR A 79 83.659 13.305 1.831 1.00 0.00 C ATOM 1179 CE1 TYR A 79 84.025 15.106 3.943 1.00 0.00 C ATOM 1180 CE2 TYR A 79 82.583 14.077 2.288 1.00 0.00 C ATOM 1181 CZ TYR A 79 82.767 14.978 3.344 1.00 0.00 C ATOM 1182 OH TYR A 79 81.707 15.738 3.794 1.00 0.00 O ATOM 0 H TYR A 79 88.305 11.877 1.067 1.00 0.00 H new ATOM 0 HA TYR A 79 86.215 13.601 0.036 1.00 0.00 H new ATOM 0 HB2 TYR A 79 85.711 11.668 1.508 1.00 0.00 H new ATOM 0 HB3 TYR A 79 86.727 12.335 2.770 1.00 0.00 H new ATOM 0 HD1 TYR A 79 86.072 14.433 3.948 1.00 0.00 H new ATOM 0 HD2 TYR A 79 83.518 12.610 1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 79 84.167 15.800 4.758 1.00 0.00 H new ATOM 0 HE2 TYR A 79 81.612 13.977 1.826 1.00 0.00 H new ATOM 0 HH TYR A 79 80.907 15.527 3.269 1.00 0.00 H new ATOM 1192 N THR A 80 88.354 14.637 2.336 1.00 0.00 N ATOM 1193 CA THR A 80 88.893 15.833 2.973 1.00 0.00 C ATOM 1194 C THR A 80 89.432 16.803 1.927 1.00 0.00 C ATOM 1195 O THR A 80 89.561 18.000 2.185 1.00 0.00 O ATOM 1196 CB THR A 80 90.015 15.449 3.940 1.00 0.00 C ATOM 1197 OG1 THR A 80 90.920 14.570 3.287 1.00 0.00 O ATOM 1198 CG2 THR A 80 89.419 14.752 5.165 1.00 0.00 C ATOM 0 H THR A 80 88.822 13.769 2.597 1.00 0.00 H new ATOM 0 HA THR A 80 88.089 16.321 3.523 1.00 0.00 H new ATOM 0 HB THR A 80 90.545 16.347 4.258 1.00 0.00 H new ATOM 0 HG1 THR A 80 90.726 14.556 2.326 1.00 0.00 H new ATOM 0 HG21 THR A 80 90.219 14.479 5.853 1.00 0.00 H new ATOM 0 HG22 THR A 80 88.724 15.427 5.665 1.00 0.00 H new ATOM 0 HG23 THR A 80 88.889 13.853 4.850 1.00 0.00 H new ATOM 1206 N SER A 81 89.744 16.280 0.745 1.00 0.00 N ATOM 1207 CA SER A 81 90.271 17.110 -0.332 1.00 0.00 C ATOM 1208 C SER A 81 89.319 17.110 -1.525 1.00 0.00 C ATOM 1209 O SER A 81 89.175 16.101 -2.216 1.00 0.00 O ATOM 1210 CB SER A 81 91.641 16.593 -0.768 1.00 0.00 C ATOM 1211 OG SER A 81 92.507 16.551 0.359 1.00 0.00 O ATOM 0 H SER A 81 89.642 15.293 0.510 1.00 0.00 H new ATOM 0 HA SER A 81 90.370 18.131 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 81 91.545 15.599 -1.205 1.00 0.00 H new ATOM 0 HB3 SER A 81 92.059 17.241 -1.538 1.00 0.00 H new ATOM 0 HG SER A 81 93.387 16.218 0.083 1.00 0.00 H new ATOM 1217 N TYR A 82 88.674 18.248 -1.759 1.00 0.00 N ATOM 1218 CA TYR A 82 87.739 18.370 -2.872 1.00 0.00 C ATOM 1219 C TYR A 82 88.491 18.433 -4.197 1.00 0.00 C ATOM 1220 O TYR A 82 88.253 19.319 -5.018 1.00 0.00 O ATOM 1221 CB TYR A 82 86.889 19.632 -2.702 1.00 0.00 C ATOM 1222 CG TYR A 82 86.803 19.984 -1.236 1.00 0.00 C ATOM 1223 CD1 TYR A 82 86.183 19.107 -0.338 1.00 0.00 C ATOM 1224 CD2 TYR A 82 87.347 21.190 -0.774 1.00 0.00 C ATOM 1225 CE1 TYR A 82 86.106 19.435 1.020 1.00 0.00 C ATOM 1226 CE2 TYR A 82 87.269 21.518 0.584 1.00 0.00 C ATOM 1227 CZ TYR A 82 86.649 20.640 1.482 1.00 0.00 C ATOM 1228 OH TYR A 82 86.573 20.963 2.820 1.00 0.00 O ATOM 0 H TYR A 82 88.780 19.093 -1.198 1.00 0.00 H new ATOM 0 HA TYR A 82 87.090 17.494 -2.878 1.00 0.00 H new ATOM 0 HB2 TYR A 82 87.329 20.458 -3.261 1.00 0.00 H new ATOM 0 HB3 TYR A 82 85.890 19.469 -3.107 1.00 0.00 H new ATOM 0 HD1 TYR A 82 85.764 18.177 -0.693 1.00 0.00 H new ATOM 0 HD2 TYR A 82 87.826 21.866 -1.466 1.00 0.00 H new ATOM 0 HE1 TYR A 82 85.627 18.758 1.712 1.00 0.00 H new ATOM 0 HE2 TYR A 82 87.687 22.448 0.940 1.00 0.00 H new ATOM 0 HH TYR A 82 86.999 21.832 2.971 1.00 0.00 H new ATOM 1238 N GLY A 83 89.404 17.488 -4.398 1.00 0.00 N ATOM 1239 CA GLY A 83 90.189 17.447 -5.626 1.00 0.00 C ATOM 1240 C GLY A 83 89.389 16.833 -6.769 1.00 0.00 C ATOM 1241 O GLY A 83 89.292 15.611 -6.885 1.00 0.00 O ATOM 0 H GLY A 83 89.617 16.746 -3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 83 90.500 18.456 -5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 83 91.097 16.867 -5.461 1.00 0.00 H new ATOM 1245 N ALA A 84 88.820 17.688 -7.612 1.00 0.00 N ATOM 1246 CA ALA A 84 88.034 17.219 -8.747 1.00 0.00 C ATOM 1247 C ALA A 84 88.939 16.952 -9.944 1.00 0.00 C ATOM 1248 O ALA A 84 88.622 17.327 -11.073 1.00 0.00 O ATOM 1249 CB ALA A 84 86.980 18.261 -9.119 1.00 0.00 C ATOM 0 H ALA A 84 88.888 18.703 -7.532 1.00 0.00 H new ATOM 0 HA ALA A 84 87.537 16.290 -8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 84 86.398 17.902 -9.968 1.00 0.00 H new ATOM 0 HB2 ALA A 84 86.318 18.428 -8.269 1.00 0.00 H new ATOM 0 HB3 ALA A 84 87.472 19.197 -9.386 1.00 0.00 H new ATOM 1255 N ARG A 85 90.069 16.304 -9.686 1.00 0.00 N ATOM 1256 CA ARG A 85 91.021 15.988 -10.745 1.00 0.00 C ATOM 1257 C ARG A 85 91.240 14.480 -10.824 1.00 0.00 C ATOM 1258 O ARG A 85 90.806 13.737 -9.944 1.00 0.00 O ATOM 1259 CB ARG A 85 92.352 16.695 -10.470 1.00 0.00 C ATOM 1260 CG ARG A 85 92.230 17.536 -9.197 1.00 0.00 C ATOM 1261 CD ARG A 85 93.505 18.359 -9.002 1.00 0.00 C ATOM 1262 NE ARG A 85 93.172 19.766 -8.810 1.00 0.00 N ATOM 1263 CZ ARG A 85 93.964 20.571 -8.111 1.00 0.00 C ATOM 1264 NH1 ARG A 85 95.070 20.110 -7.594 1.00 0.00 N ATOM 1265 NH2 ARG A 85 93.638 21.823 -7.942 1.00 0.00 N ATOM 0 H ARG A 85 90.348 15.988 -8.757 1.00 0.00 H new ATOM 0 HA ARG A 85 90.620 16.334 -11.698 1.00 0.00 H new ATOM 0 HB2 ARG A 85 93.150 15.961 -10.358 1.00 0.00 H new ATOM 0 HB3 ARG A 85 92.620 17.331 -11.314 1.00 0.00 H new ATOM 0 HG2 ARG A 85 91.366 18.197 -9.267 1.00 0.00 H new ATOM 0 HG3 ARG A 85 92.068 16.888 -8.335 1.00 0.00 H new ATOM 0 HD2 ARG A 85 94.058 17.988 -8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 85 94.155 18.247 -9.870 1.00 0.00 H new ATOM 0 HE ARG A 85 92.315 20.138 -9.220 1.00 0.00 H new ATOM 0 HH11 ARG A 85 95.326 19.132 -7.727 1.00 0.00 H new ATOM 0 HH12 ARG A 85 95.678 20.728 -7.057 1.00 0.00 H new ATOM 0 HH21 ARG A 85 92.774 22.184 -8.347 1.00 0.00 H new ATOM 0 HH22 ARG A 85 94.247 22.441 -7.405 1.00 0.00 H new ATOM 1279 N PRO A 86 91.896 14.017 -11.855 1.00 0.00 N ATOM 1280 CA PRO A 86 92.170 12.567 -12.045 1.00 0.00 C ATOM 1281 C PRO A 86 92.565 11.884 -10.739 1.00 0.00 C ATOM 1282 O PRO A 86 93.457 12.348 -10.029 1.00 0.00 O ATOM 1283 CB PRO A 86 93.318 12.555 -13.052 1.00 0.00 C ATOM 1284 CG PRO A 86 93.136 13.798 -13.863 1.00 0.00 C ATOM 1285 CD PRO A 86 92.454 14.825 -12.953 1.00 0.00 C ATOM 0 HA PRO A 86 91.294 12.017 -12.389 1.00 0.00 H new ATOM 0 HB2 PRO A 86 94.285 12.551 -12.548 1.00 0.00 H new ATOM 0 HB3 PRO A 86 93.282 11.665 -13.680 1.00 0.00 H new ATOM 0 HG2 PRO A 86 94.096 14.173 -14.217 1.00 0.00 H new ATOM 0 HG3 PRO A 86 92.527 13.598 -14.745 1.00 0.00 H new ATOM 0 HD2 PRO A 86 93.165 15.564 -12.583 1.00 0.00 H new ATOM 0 HD3 PRO A 86 91.673 15.371 -13.483 1.00 0.00 H new ATOM 1293 N ILE A 87 91.888 10.783 -10.429 1.00 0.00 N ATOM 1294 CA ILE A 87 92.163 10.042 -9.201 1.00 0.00 C ATOM 1295 C ILE A 87 93.662 9.746 -9.064 1.00 0.00 C ATOM 1296 O ILE A 87 94.196 8.916 -9.800 1.00 0.00 O ATOM 1297 CB ILE A 87 91.398 8.717 -9.220 1.00 0.00 C ATOM 1298 CG1 ILE A 87 89.913 8.985 -9.480 1.00 0.00 C ATOM 1299 CG2 ILE A 87 91.558 8.017 -7.870 1.00 0.00 C ATOM 1300 CD1 ILE A 87 89.159 7.655 -9.525 1.00 0.00 C ATOM 0 H ILE A 87 91.148 10.385 -11.007 1.00 0.00 H new ATOM 0 HA ILE A 87 91.844 10.652 -8.356 1.00 0.00 H new ATOM 0 HB ILE A 87 91.796 8.081 -10.011 1.00 0.00 H new ATOM 0 HG12 ILE A 87 89.504 9.622 -8.696 1.00 0.00 H new ATOM 0 HG13 ILE A 87 89.788 9.519 -10.422 1.00 0.00 H new ATOM 0 HG21 ILE A 87 91.013 7.073 -7.883 1.00 0.00 H new ATOM 0 HG22 ILE A 87 92.614 7.824 -7.683 1.00 0.00 H new ATOM 0 HG23 ILE A 87 91.161 8.655 -7.080 1.00 0.00 H new ATOM 0 HD11 ILE A 87 88.101 7.842 -9.710 1.00 0.00 H new ATOM 0 HD12 ILE A 87 89.563 7.035 -10.325 1.00 0.00 H new ATOM 0 HD13 ILE A 87 89.275 7.139 -8.572 1.00 0.00 H new ATOM 1312 N PRO A 88 94.351 10.389 -8.145 1.00 0.00 N ATOM 1313 CA PRO A 88 95.810 10.151 -7.941 1.00 0.00 C ATOM 1314 C PRO A 88 96.133 8.663 -7.840 1.00 0.00 C ATOM 1315 O PRO A 88 95.292 7.863 -7.431 1.00 0.00 O ATOM 1316 CB PRO A 88 96.122 10.868 -6.626 1.00 0.00 C ATOM 1317 CG PRO A 88 95.074 11.919 -6.485 1.00 0.00 C ATOM 1318 CD PRO A 88 93.830 11.402 -7.208 1.00 0.00 C ATOM 0 HA PRO A 88 96.405 10.519 -8.777 1.00 0.00 H new ATOM 0 HB2 PRO A 88 96.097 10.174 -5.786 1.00 0.00 H new ATOM 0 HB3 PRO A 88 97.119 11.308 -6.646 1.00 0.00 H new ATOM 0 HG2 PRO A 88 94.858 12.111 -5.434 1.00 0.00 H new ATOM 0 HG3 PRO A 88 95.410 12.861 -6.919 1.00 0.00 H new ATOM 0 HD2 PRO A 88 93.115 10.968 -6.509 1.00 0.00 H new ATOM 0 HD3 PRO A 88 93.314 12.204 -7.735 1.00 0.00 H new ATOM 1326 N GLU A 89 97.351 8.297 -8.219 1.00 0.00 N ATOM 1327 CA GLU A 89 97.770 6.904 -8.172 1.00 0.00 C ATOM 1328 C GLU A 89 97.521 6.307 -6.790 1.00 0.00 C ATOM 1329 O GLU A 89 97.298 5.111 -6.659 1.00 0.00 O ATOM 1330 CB GLU A 89 99.257 6.792 -8.515 1.00 0.00 C ATOM 1331 CG GLU A 89 99.665 5.317 -8.541 1.00 0.00 C ATOM 1332 CD GLU A 89 100.903 5.132 -9.412 1.00 0.00 C ATOM 1333 OE1 GLU A 89 101.745 6.014 -9.405 1.00 0.00 O ATOM 1334 OE2 GLU A 89 100.990 4.110 -10.071 1.00 0.00 O ATOM 0 H GLU A 89 98.063 8.943 -8.561 1.00 0.00 H new ATOM 0 HA GLU A 89 97.183 6.349 -8.904 1.00 0.00 H new ATOM 0 HB2 GLU A 89 99.453 7.252 -9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 89 99.853 7.332 -7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 89 99.868 4.970 -7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 89 98.845 4.711 -8.927 1.00 0.00 H new ATOM 1341 N LYS A 90 97.559 7.144 -5.763 1.00 0.00 N ATOM 1342 CA LYS A 90 97.335 6.674 -4.404 1.00 0.00 C ATOM 1343 C LYS A 90 95.898 6.203 -4.235 1.00 0.00 C ATOM 1344 O LYS A 90 95.654 5.040 -3.929 1.00 0.00 O ATOM 1345 CB LYS A 90 97.626 7.794 -3.406 1.00 0.00 C ATOM 1346 CG LYS A 90 99.046 8.320 -3.627 1.00 0.00 C ATOM 1347 CD LYS A 90 99.243 9.608 -2.827 1.00 0.00 C ATOM 1348 CE LYS A 90 99.190 9.297 -1.330 1.00 0.00 C ATOM 1349 NZ LYS A 90 99.943 10.340 -0.579 1.00 0.00 N ATOM 0 H LYS A 90 97.741 8.144 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 90 98.007 5.838 -4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 90 96.905 8.602 -3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 90 97.519 7.424 -2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 90 99.775 7.571 -3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 90 99.215 8.508 -4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 90 100.201 10.062 -3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 90 98.469 10.331 -3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 90 98.155 9.266 -0.991 1.00 0.00 H new ATOM 0 HE3 LYS A 90 99.619 8.314 -1.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 99.907 10.129 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 100.933 10.349 -0.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 99.515 11.271 -0.755 1.00 0.00 H new ATOM 1363 N LEU A 91 94.952 7.108 -4.454 1.00 0.00 N ATOM 1364 CA LEU A 91 93.550 6.771 -4.336 1.00 0.00 C ATOM 1365 C LEU A 91 93.189 5.789 -5.429 1.00 0.00 C ATOM 1366 O LEU A 91 92.440 4.848 -5.209 1.00 0.00 O ATOM 1367 CB LEU A 91 92.697 8.036 -4.462 1.00 0.00 C ATOM 1368 CG LEU A 91 93.143 9.058 -3.413 1.00 0.00 C ATOM 1369 CD1 LEU A 91 92.471 10.403 -3.689 1.00 0.00 C ATOM 1370 CD2 LEU A 91 92.746 8.568 -2.017 1.00 0.00 C ATOM 0 H LEU A 91 95.136 8.077 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 91 93.360 6.320 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 91 92.798 8.458 -5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 91 91.644 7.793 -4.323 1.00 0.00 H new ATOM 0 HG LEU A 91 94.225 9.176 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 91 92.790 11.129 -2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 91 92.755 10.755 -4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 91 91.388 10.285 -3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 91 93.064 9.297 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 91 91.664 8.448 -1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 91 93.227 7.611 -1.817 1.00 0.00 H new ATOM 1382 N LYS A 92 93.749 6.004 -6.607 1.00 0.00 N ATOM 1383 CA LYS A 92 93.491 5.117 -7.712 1.00 0.00 C ATOM 1384 C LYS A 92 94.066 3.746 -7.402 1.00 0.00 C ATOM 1385 O LYS A 92 93.340 2.766 -7.383 1.00 0.00 O ATOM 1386 CB LYS A 92 94.114 5.662 -8.999 1.00 0.00 C ATOM 1387 CG LYS A 92 93.355 5.103 -10.205 1.00 0.00 C ATOM 1388 CD LYS A 92 94.024 5.575 -11.496 1.00 0.00 C ATOM 1389 CE LYS A 92 94.158 4.396 -12.460 1.00 0.00 C ATOM 1390 NZ LYS A 92 92.868 3.653 -12.516 1.00 0.00 N ATOM 0 H LYS A 92 94.378 6.779 -6.815 1.00 0.00 H new ATOM 0 HA LYS A 92 92.414 5.040 -7.857 1.00 0.00 H new ATOM 0 HB2 LYS A 92 94.074 6.751 -9.003 1.00 0.00 H new ATOM 0 HB3 LYS A 92 95.166 5.381 -9.055 1.00 0.00 H new ATOM 0 HG2 LYS A 92 93.343 4.014 -10.167 1.00 0.00 H new ATOM 0 HG3 LYS A 92 92.317 5.434 -10.179 1.00 0.00 H new ATOM 0 HD2 LYS A 92 93.434 6.369 -11.955 1.00 0.00 H new ATOM 0 HD3 LYS A 92 95.006 5.993 -11.277 1.00 0.00 H new ATOM 0 HE2 LYS A 92 94.428 4.754 -13.454 1.00 0.00 H new ATOM 0 HE3 LYS A 92 94.958 3.733 -12.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 92.733 3.263 -13.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 92.884 2.877 -11.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 92.085 4.300 -12.292 1.00 0.00 H new ATOM 1404 N LYS A 93 95.369 3.683 -7.136 1.00 0.00 N ATOM 1405 CA LYS A 93 96.000 2.406 -6.816 1.00 0.00 C ATOM 1406 C LYS A 93 95.377 1.803 -5.574 1.00 0.00 C ATOM 1407 O LYS A 93 95.213 0.594 -5.478 1.00 0.00 O ATOM 1408 CB LYS A 93 97.508 2.567 -6.605 1.00 0.00 C ATOM 1409 CG LYS A 93 98.155 1.185 -6.498 1.00 0.00 C ATOM 1410 CD LYS A 93 99.670 1.341 -6.351 1.00 0.00 C ATOM 1411 CE LYS A 93 100.315 -0.039 -6.220 1.00 0.00 C ATOM 1412 NZ LYS A 93 99.262 -1.090 -6.311 1.00 0.00 N ATOM 0 H LYS A 93 95.998 4.486 -7.135 1.00 0.00 H new ATOM 0 HA LYS A 93 95.838 1.739 -7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 93 97.945 3.123 -7.435 1.00 0.00 H new ATOM 0 HB3 LYS A 93 97.701 3.142 -5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 93 97.749 0.647 -5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 93 97.924 0.594 -7.384 1.00 0.00 H new ATOM 0 HD2 LYS A 93 100.078 1.864 -7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 93 99.900 1.946 -5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 93 101.056 -0.182 -7.007 1.00 0.00 H new ATOM 0 HE3 LYS A 93 100.841 -0.118 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 99.704 -2.030 -6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 98.590 -0.977 -5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 98.757 -0.998 -7.215 1.00 0.00 H new ATOM 1426 N ARG A 94 95.018 2.654 -4.631 1.00 0.00 N ATOM 1427 CA ARG A 94 94.398 2.179 -3.399 1.00 0.00 C ATOM 1428 C ARG A 94 92.983 1.703 -3.688 1.00 0.00 C ATOM 1429 O ARG A 94 92.645 0.551 -3.426 1.00 0.00 O ATOM 1430 CB ARG A 94 94.356 3.285 -2.340 1.00 0.00 C ATOM 1431 CG ARG A 94 95.776 3.581 -1.847 1.00 0.00 C ATOM 1432 CD ARG A 94 96.083 2.725 -0.617 1.00 0.00 C ATOM 1433 NE ARG A 94 95.565 3.365 0.588 1.00 0.00 N ATOM 1434 CZ ARG A 94 96.303 4.222 1.287 1.00 0.00 C ATOM 1435 NH1 ARG A 94 97.516 4.509 0.899 1.00 0.00 N ATOM 1436 NH2 ARG A 94 95.814 4.777 2.362 1.00 0.00 N ATOM 0 H ARG A 94 95.141 3.665 -4.688 1.00 0.00 H new ATOM 0 HA ARG A 94 94.997 1.354 -3.013 1.00 0.00 H new ATOM 0 HB2 ARG A 94 93.911 4.187 -2.760 1.00 0.00 H new ATOM 0 HB3 ARG A 94 93.727 2.978 -1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 94 96.497 3.371 -2.637 1.00 0.00 H new ATOM 0 HG3 ARG A 94 95.873 4.638 -1.600 1.00 0.00 H new ATOM 0 HD2 ARG A 94 95.637 1.737 -0.733 1.00 0.00 H new ATOM 0 HD3 ARG A 94 97.159 2.580 -0.526 1.00 0.00 H new ATOM 0 HE ARG A 94 94.618 3.151 0.900 1.00 0.00 H new ATOM 0 HH11 ARG A 94 97.899 4.076 0.059 1.00 0.00 H new ATOM 0 HH12 ARG A 94 98.081 5.167 1.436 1.00 0.00 H new ATOM 0 HH21 ARG A 94 94.866 4.553 2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 94 96.380 5.435 2.899 1.00 0.00 H new ATOM 1450 N LEU A 95 92.166 2.591 -4.244 1.00 0.00 N ATOM 1451 CA LEU A 95 90.796 2.241 -4.574 1.00 0.00 C ATOM 1452 C LEU A 95 90.789 1.176 -5.648 1.00 0.00 C ATOM 1453 O LEU A 95 89.904 0.332 -5.681 1.00 0.00 O ATOM 1454 CB LEU A 95 90.028 3.472 -5.043 1.00 0.00 C ATOM 1455 CG LEU A 95 90.014 4.478 -3.896 1.00 0.00 C ATOM 1456 CD1 LEU A 95 89.568 5.849 -4.408 1.00 0.00 C ATOM 1457 CD2 LEU A 95 89.057 4.005 -2.794 1.00 0.00 C ATOM 0 H LEU A 95 92.429 3.550 -4.473 1.00 0.00 H new ATOM 0 HA LEU A 95 90.305 1.852 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 95 90.501 3.904 -5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.011 3.202 -5.327 1.00 0.00 H new ATOM 0 HG LEU A 95 91.021 4.558 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 95 89.561 6.561 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 95 90.259 6.193 -5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 95 88.566 5.772 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 95 89.054 4.729 -1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 95 88.050 3.912 -3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 95 89.386 3.037 -2.417 1.00 0.00 H new ATOM 1469 N GLN A 96 91.808 1.207 -6.504 1.00 0.00 N ATOM 1470 CA GLN A 96 91.929 0.207 -7.563 1.00 0.00 C ATOM 1471 C GLN A 96 92.421 -1.087 -6.949 1.00 0.00 C ATOM 1472 O GLN A 96 91.847 -2.146 -7.167 1.00 0.00 O ATOM 1473 CB GLN A 96 92.891 0.642 -8.673 1.00 0.00 C ATOM 1474 CG GLN A 96 92.926 -0.434 -9.760 1.00 0.00 C ATOM 1475 CD GLN A 96 93.821 0.014 -10.911 1.00 0.00 C ATOM 1476 OE1 GLN A 96 93.770 -0.560 -11.999 1.00 0.00 O ATOM 1477 NE2 GLN A 96 94.643 1.012 -10.736 1.00 0.00 N ATOM 0 H GLN A 96 92.553 1.904 -6.487 1.00 0.00 H new ATOM 0 HA GLN A 96 90.948 0.079 -8.020 1.00 0.00 H new ATOM 0 HB2 GLN A 96 92.570 1.593 -9.097 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.890 0.796 -8.265 1.00 0.00 H new ATOM 0 HG2 GLN A 96 93.297 -1.371 -9.344 1.00 0.00 H new ATOM 0 HG3 GLN A 96 91.917 -0.625 -10.126 1.00 0.00 H new ATOM 0 HE21 GLN A 96 94.684 1.487 -9.834 1.00 0.00 H new ATOM 0 HE22 GLN A 96 95.244 1.318 -11.501 1.00 0.00 H new ATOM 1486 N LEU A 97 93.466 -0.985 -6.143 1.00 0.00 N ATOM 1487 CA LEU A 97 93.984 -2.157 -5.465 1.00 0.00 C ATOM 1488 C LEU A 97 92.883 -2.673 -4.564 1.00 0.00 C ATOM 1489 O LEU A 97 92.733 -3.874 -4.365 1.00 0.00 O ATOM 1490 CB LEU A 97 95.230 -1.825 -4.636 1.00 0.00 C ATOM 1491 CG LEU A 97 95.696 -3.076 -3.886 1.00 0.00 C ATOM 1492 CD1 LEU A 97 96.058 -4.169 -4.892 1.00 0.00 C ATOM 1493 CD2 LEU A 97 96.927 -2.731 -3.045 1.00 0.00 C ATOM 0 H LEU A 97 93.964 -0.117 -5.946 1.00 0.00 H new ATOM 0 HA LEU A 97 94.282 -2.907 -6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 97 96.025 -1.461 -5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.006 -1.027 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 97 94.896 -3.432 -3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 97 96.390 -5.060 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 97 95.183 -4.412 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 97 96.859 -3.815 -5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 97 97.262 -3.619 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 97 97.726 -2.378 -3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 97 96.671 -1.950 -2.329 1.00 0.00 H new ATOM 1505 N GLU A 98 92.084 -1.738 -4.050 1.00 0.00 N ATOM 1506 CA GLU A 98 90.961 -2.103 -3.207 1.00 0.00 C ATOM 1507 C GLU A 98 89.872 -2.700 -4.078 1.00 0.00 C ATOM 1508 O GLU A 98 89.323 -3.743 -3.755 1.00 0.00 O ATOM 1509 CB GLU A 98 90.402 -0.893 -2.461 1.00 0.00 C ATOM 1510 CG GLU A 98 89.378 -1.364 -1.428 1.00 0.00 C ATOM 1511 CD GLU A 98 90.086 -2.069 -0.276 1.00 0.00 C ATOM 1512 OE1 GLU A 98 91.236 -1.747 -0.029 1.00 0.00 O ATOM 1513 OE2 GLU A 98 89.468 -2.922 0.340 1.00 0.00 O ATOM 0 H GLU A 98 92.196 -0.736 -4.204 1.00 0.00 H new ATOM 0 HA GLU A 98 91.305 -2.825 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 98 91.209 -0.350 -1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 98 89.936 -0.202 -3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 98 88.811 -0.513 -1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 98 88.663 -2.041 -1.895 1.00 0.00 H new ATOM 1520 N PHE A 99 89.574 -2.040 -5.202 1.00 0.00 N ATOM 1521 CA PHE A 99 88.550 -2.561 -6.107 1.00 0.00 C ATOM 1522 C PHE A 99 88.992 -3.892 -6.642 1.00 0.00 C ATOM 1523 O PHE A 99 88.193 -4.802 -6.789 1.00 0.00 O ATOM 1524 CB PHE A 99 88.295 -1.645 -7.296 1.00 0.00 C ATOM 1525 CG PHE A 99 88.392 -2.447 -8.579 1.00 0.00 C ATOM 1526 CD1 PHE A 99 87.284 -3.163 -9.042 1.00 0.00 C ATOM 1527 CD2 PHE A 99 89.592 -2.478 -9.302 1.00 0.00 C ATOM 1528 CE1 PHE A 99 87.371 -3.906 -10.226 1.00 0.00 C ATOM 1529 CE2 PHE A 99 89.680 -3.222 -10.485 1.00 0.00 C ATOM 1530 CZ PHE A 99 88.569 -3.936 -10.946 1.00 0.00 C ATOM 0 H PHE A 99 90.014 -1.169 -5.500 1.00 0.00 H new ATOM 0 HA PHE A 99 87.629 -2.640 -5.529 1.00 0.00 H new ATOM 0 HB2 PHE A 99 87.308 -1.189 -7.213 1.00 0.00 H new ATOM 0 HB3 PHE A 99 89.022 -0.833 -7.306 1.00 0.00 H new ATOM 0 HD1 PHE A 99 86.359 -3.143 -8.485 1.00 0.00 H new ATOM 0 HD2 PHE A 99 90.450 -1.927 -8.946 1.00 0.00 H new ATOM 0 HE1 PHE A 99 86.513 -4.456 -10.583 1.00 0.00 H new ATOM 0 HE2 PHE A 99 90.605 -3.245 -11.041 1.00 0.00 H new ATOM 0 HZ PHE A 99 88.637 -4.510 -11.858 1.00 0.00 H new ATOM 1540 N THR A 100 90.274 -4.006 -6.936 1.00 0.00 N ATOM 1541 CA THR A 100 90.781 -5.262 -7.449 1.00 0.00 C ATOM 1542 C THR A 100 90.910 -6.245 -6.298 1.00 0.00 C ATOM 1543 O THR A 100 90.528 -7.406 -6.417 1.00 0.00 O ATOM 1544 CB THR A 100 92.117 -5.055 -8.166 1.00 0.00 C ATOM 1545 OG1 THR A 100 92.138 -5.841 -9.350 1.00 0.00 O ATOM 1546 CG2 THR A 100 93.292 -5.459 -7.270 1.00 0.00 C ATOM 0 H THR A 100 90.967 -3.265 -6.832 1.00 0.00 H new ATOM 0 HA THR A 100 90.086 -5.668 -8.184 1.00 0.00 H new ATOM 0 HB THR A 100 92.218 -3.998 -8.411 1.00 0.00 H new ATOM 0 HG1 THR A 100 92.991 -5.711 -9.814 1.00 0.00 H new ATOM 0 HG21 THR A 100 94.229 -5.301 -7.805 1.00 0.00 H new ATOM 0 HG22 THR A 100 93.285 -4.852 -6.365 1.00 0.00 H new ATOM 0 HG23 THR A 100 93.200 -6.511 -7.002 1.00 0.00 H new ATOM 1554 N GLN A 101 91.409 -5.767 -5.165 1.00 0.00 N ATOM 1555 CA GLN A 101 91.527 -6.636 -3.999 1.00 0.00 C ATOM 1556 C GLN A 101 90.128 -6.971 -3.502 1.00 0.00 C ATOM 1557 O GLN A 101 89.894 -8.021 -2.910 1.00 0.00 O ATOM 1558 CB GLN A 101 92.327 -5.958 -2.884 1.00 0.00 C ATOM 1559 CG GLN A 101 92.384 -6.878 -1.662 1.00 0.00 C ATOM 1560 CD GLN A 101 92.998 -8.220 -2.045 1.00 0.00 C ATOM 1561 OE1 GLN A 101 92.442 -9.272 -1.729 1.00 0.00 O ATOM 1562 NE2 GLN A 101 94.120 -8.247 -2.712 1.00 0.00 N ATOM 0 H GLN A 101 91.731 -4.809 -5.028 1.00 0.00 H new ATOM 0 HA GLN A 101 92.057 -7.545 -4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 101 93.336 -5.734 -3.231 1.00 0.00 H new ATOM 0 HB3 GLN A 101 91.864 -5.008 -2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 101 92.974 -6.411 -0.873 1.00 0.00 H new ATOM 0 HG3 GLN A 101 91.381 -7.029 -1.263 1.00 0.00 H new ATOM 0 HE21 GLN A 101 94.579 -7.374 -2.973 1.00 0.00 H new ATOM 0 HE22 GLN A 101 94.537 -9.141 -2.972 1.00 0.00 H new ATOM 1571 N ALA A 102 89.199 -6.063 -3.767 1.00 0.00 N ATOM 1572 CA ALA A 102 87.808 -6.254 -3.373 1.00 0.00 C ATOM 1573 C ALA A 102 87.067 -7.043 -4.441 1.00 0.00 C ATOM 1574 O ALA A 102 86.453 -8.069 -4.165 1.00 0.00 O ATOM 1575 CB ALA A 102 87.123 -4.903 -3.177 1.00 0.00 C ATOM 0 H ALA A 102 89.383 -5.186 -4.254 1.00 0.00 H new ATOM 0 HA ALA A 102 87.788 -6.807 -2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 102 86.085 -5.060 -2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 102 87.640 -4.343 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 102 87.154 -4.340 -4.110 1.00 0.00 H new ATOM 1581 N GLU A 103 87.126 -6.529 -5.660 1.00 0.00 N ATOM 1582 CA GLU A 103 86.455 -7.152 -6.795 1.00 0.00 C ATOM 1583 C GLU A 103 87.218 -8.369 -7.303 1.00 0.00 C ATOM 1584 O GLU A 103 86.642 -9.443 -7.477 1.00 0.00 O ATOM 1585 CB GLU A 103 86.337 -6.140 -7.938 1.00 0.00 C ATOM 1586 CG GLU A 103 85.314 -6.632 -8.969 1.00 0.00 C ATOM 1587 CD GLU A 103 84.147 -5.655 -9.055 1.00 0.00 C ATOM 1588 OE1 GLU A 103 84.354 -4.558 -9.545 1.00 0.00 O ATOM 1589 OE2 GLU A 103 83.063 -6.020 -8.632 1.00 0.00 O ATOM 0 H GLU A 103 87.635 -5.676 -5.891 1.00 0.00 H new ATOM 0 HA GLU A 103 85.470 -7.475 -6.459 1.00 0.00 H new ATOM 0 HB2 GLU A 103 86.033 -5.170 -7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 103 87.308 -6.001 -8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 103 85.789 -6.731 -9.945 1.00 0.00 H new ATOM 0 HG3 GLU A 103 84.951 -7.621 -8.689 1.00 0.00 H new ATOM 1596 N ARG A 104 88.505 -8.188 -7.576 1.00 0.00 N ATOM 1597 CA ARG A 104 89.313 -9.292 -8.111 1.00 0.00 C ATOM 1598 C ARG A 104 89.459 -10.441 -7.114 1.00 0.00 C ATOM 1599 O ARG A 104 89.442 -11.607 -7.508 1.00 0.00 O ATOM 1600 CB ARG A 104 90.703 -8.803 -8.526 1.00 0.00 C ATOM 1601 CG ARG A 104 91.121 -9.496 -9.824 1.00 0.00 C ATOM 1602 CD ARG A 104 90.512 -8.755 -11.016 1.00 0.00 C ATOM 1603 NE ARG A 104 91.457 -7.774 -11.536 1.00 0.00 N ATOM 1604 CZ ARG A 104 92.367 -8.109 -12.445 1.00 0.00 C ATOM 1605 NH1 ARG A 104 92.427 -9.336 -12.885 1.00 0.00 N ATOM 1606 NH2 ARG A 104 93.203 -7.213 -12.894 1.00 0.00 N ATOM 0 H ARG A 104 89.008 -7.311 -7.442 1.00 0.00 H new ATOM 0 HA ARG A 104 88.781 -9.666 -8.986 1.00 0.00 H new ATOM 0 HB2 ARG A 104 90.693 -7.722 -8.665 1.00 0.00 H new ATOM 0 HB3 ARG A 104 91.426 -9.016 -7.738 1.00 0.00 H new ATOM 0 HG2 ARG A 104 92.208 -9.510 -9.908 1.00 0.00 H new ATOM 0 HG3 ARG A 104 90.788 -10.534 -9.818 1.00 0.00 H new ATOM 0 HD2 ARG A 104 90.247 -9.466 -11.799 1.00 0.00 H new ATOM 0 HD3 ARG A 104 89.591 -8.258 -10.712 1.00 0.00 H new ATOM 0 HE ARG A 104 91.419 -6.813 -11.196 1.00 0.00 H new ATOM 0 HH11 ARG A 104 91.776 -10.037 -12.531 1.00 0.00 H new ATOM 0 HH12 ARG A 104 93.125 -9.594 -13.583 1.00 0.00 H new ATOM 0 HH21 ARG A 104 93.158 -6.255 -12.547 1.00 0.00 H new ATOM 0 HH22 ARG A 104 93.901 -7.471 -13.592 1.00 0.00 H new ATOM 1620 N SER A 105 89.624 -10.124 -5.836 1.00 0.00 N ATOM 1621 CA SER A 105 89.793 -11.172 -4.831 1.00 0.00 C ATOM 1622 C SER A 105 88.463 -11.833 -4.477 1.00 0.00 C ATOM 1623 O SER A 105 88.352 -13.059 -4.503 1.00 0.00 O ATOM 1624 CB SER A 105 90.433 -10.603 -3.568 1.00 0.00 C ATOM 1625 OG SER A 105 89.413 -10.237 -2.649 1.00 0.00 O ATOM 0 H SER A 105 89.645 -9.171 -5.473 1.00 0.00 H new ATOM 0 HA SER A 105 90.448 -11.930 -5.260 1.00 0.00 H new ATOM 0 HB2 SER A 105 91.096 -11.342 -3.118 1.00 0.00 H new ATOM 0 HB3 SER A 105 91.044 -9.735 -3.815 1.00 0.00 H new ATOM 0 HG SER A 105 89.390 -9.262 -2.557 1.00 0.00 H new ATOM 1631 N ILE A 106 87.458 -11.031 -4.135 1.00 0.00 N ATOM 1632 CA ILE A 106 86.158 -11.595 -3.770 1.00 0.00 C ATOM 1633 C ILE A 106 85.564 -12.384 -4.934 1.00 0.00 C ATOM 1634 O ILE A 106 84.846 -13.362 -4.727 1.00 0.00 O ATOM 1635 CB ILE A 106 85.184 -10.493 -3.349 1.00 0.00 C ATOM 1636 CG1 ILE A 106 85.767 -9.722 -2.162 1.00 0.00 C ATOM 1637 CG2 ILE A 106 83.854 -11.125 -2.934 1.00 0.00 C ATOM 1638 CD1 ILE A 106 85.342 -10.396 -0.854 1.00 0.00 C ATOM 0 H ILE A 106 87.513 -10.013 -4.102 1.00 0.00 H new ATOM 0 HA ILE A 106 86.315 -12.268 -2.927 1.00 0.00 H new ATOM 0 HB ILE A 106 85.024 -9.811 -4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 106 86.854 -9.694 -2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 106 85.420 -8.689 -2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 106 83.157 -10.342 -2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 106 83.436 -11.679 -3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 106 84.019 -11.804 -2.098 1.00 0.00 H new ATOM 0 HD11 ILE A 106 85.758 -9.846 -0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 106 84.254 -10.401 -0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 106 85.711 -11.421 -0.836 1.00 0.00 H new ATOM 1650 N GLU A 107 85.865 -11.956 -6.156 1.00 0.00 N ATOM 1651 CA GLU A 107 85.350 -12.639 -7.339 1.00 0.00 C ATOM 1652 C GLU A 107 85.767 -14.105 -7.334 1.00 0.00 C ATOM 1653 O GLU A 107 85.297 -14.898 -8.150 1.00 0.00 O ATOM 1654 CB GLU A 107 85.874 -11.962 -8.608 1.00 0.00 C ATOM 1655 CG GLU A 107 85.485 -12.798 -9.829 1.00 0.00 C ATOM 1656 CD GLU A 107 85.565 -11.945 -11.091 1.00 0.00 C ATOM 1657 OE1 GLU A 107 86.669 -11.601 -11.482 1.00 0.00 O ATOM 1658 OE2 GLU A 107 84.521 -11.647 -11.648 1.00 0.00 O ATOM 0 H GLU A 107 86.456 -11.148 -6.353 1.00 0.00 H new ATOM 0 HA GLU A 107 84.262 -12.581 -7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 107 85.460 -10.957 -8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 107 86.958 -11.857 -8.556 1.00 0.00 H new ATOM 0 HG2 GLU A 107 86.149 -13.658 -9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 107 84.474 -13.187 -9.707 1.00 0.00 H new ATOM 1665 N ARG A 108 86.652 -14.460 -6.408 1.00 0.00 N ATOM 1666 CA ARG A 108 87.127 -15.835 -6.303 1.00 0.00 C ATOM 1667 C ARG A 108 86.788 -16.412 -4.932 1.00 0.00 C ATOM 1668 O ARG A 108 86.011 -17.361 -4.821 1.00 0.00 O ATOM 1669 CB ARG A 108 88.640 -15.880 -6.517 1.00 0.00 C ATOM 1670 CG ARG A 108 89.057 -17.292 -6.932 1.00 0.00 C ATOM 1671 CD ARG A 108 89.245 -17.343 -8.449 1.00 0.00 C ATOM 1672 NE ARG A 108 89.704 -18.666 -8.857 1.00 0.00 N ATOM 1673 CZ ARG A 108 89.980 -18.936 -10.128 1.00 0.00 C ATOM 1674 NH1 ARG A 108 89.843 -18.009 -11.036 1.00 0.00 N ATOM 1675 NH2 ARG A 108 90.388 -20.128 -10.468 1.00 0.00 N ATOM 0 H ARG A 108 87.053 -13.819 -5.723 1.00 0.00 H new ATOM 0 HA ARG A 108 86.634 -16.432 -7.070 1.00 0.00 H new ATOM 0 HB2 ARG A 108 88.930 -15.163 -7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 108 89.156 -15.592 -5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 108 89.984 -17.571 -6.430 1.00 0.00 H new ATOM 0 HG3 ARG A 108 88.299 -18.012 -6.624 1.00 0.00 H new ATOM 0 HD2 ARG A 108 88.305 -17.107 -8.947 1.00 0.00 H new ATOM 0 HD3 ARG A 108 89.968 -16.588 -8.758 1.00 0.00 H new ATOM 0 HE ARG A 108 89.815 -19.397 -8.154 1.00 0.00 H new ATOM 0 HH11 ARG A 108 89.524 -17.077 -10.770 1.00 0.00 H new ATOM 0 HH12 ARG A 108 90.055 -18.216 -12.012 1.00 0.00 H new ATOM 0 HH21 ARG A 108 90.495 -20.852 -9.758 1.00 0.00 H new ATOM 0 HH22 ARG A 108 90.600 -20.335 -11.444 1.00 0.00 H new ATOM 1689 N GLY A 109 87.376 -15.832 -3.892 1.00 0.00 N ATOM 1690 CA GLY A 109 87.132 -16.293 -2.529 1.00 0.00 C ATOM 1691 C GLY A 109 87.667 -15.291 -1.514 1.00 0.00 C ATOM 1692 O GLY A 109 86.940 -14.414 -1.050 1.00 0.00 O ATOM 0 H GLY A 109 88.022 -15.046 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 109 86.063 -16.437 -2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 109 87.609 -17.261 -2.377 1.00 0.00 H new ATOM 1696 N VAL A 110 88.946 -15.427 -1.173 1.00 0.00 N ATOM 1697 CA VAL A 110 89.570 -14.526 -0.211 1.00 0.00 C ATOM 1698 C VAL A 110 89.147 -13.085 -0.478 1.00 0.00 C ATOM 1699 O VAL A 110 88.792 -12.408 0.472 1.00 0.00 O ATOM 1700 CB VAL A 110 91.093 -14.638 -0.302 1.00 0.00 C ATOM 1701 CG1 VAL A 110 91.583 -13.941 -1.573 1.00 0.00 C ATOM 1702 CG2 VAL A 110 91.727 -13.970 0.920 1.00 0.00 C ATOM 1703 OXT VAL A 110 89.184 -12.681 -1.629 1.00 0.00 O ATOM 0 H VAL A 110 89.565 -16.147 -1.546 1.00 0.00 H new ATOM 0 HA VAL A 110 89.245 -14.810 0.790 1.00 0.00 H new ATOM 0 HB VAL A 110 91.377 -15.690 -0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 110 92.668 -14.021 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 110 91.132 -14.415 -2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 110 91.298 -12.889 -1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 110 92.812 -14.049 0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 110 91.441 -12.919 0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.380 -14.466 1.827 1.00 0.00 H new TER 1713 VAL A 110