USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 949 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 51 GLN : amide:sc= 0.256 X(o=0.31,f=-0.19) USER MOD Set 1.2: A 54 HIS : no HE2:sc= 0.0536 K(o=0.31,f=-2.1) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0597 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -2.66 K(o=-2.7,f=-4.6!) USER MOD Single : A 13 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.49) USER MOD Single : A 19 ASN : amide:sc=-0.00751 X(o=-0.0075,f=0) USER MOD Single : A 20 TYR OH : rot 28:sc= 0.199 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -9.88! C(o=-9.9!,f=-12!) USER MOD Single : A 25 THR OG1 : rot -56:sc= 1.3 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00887) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.166 K(o=-0.17,f=-2.2!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -3.05 X(o=-3.1,f=-3.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 80:sc= 1.18 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -5:sc= -0.118 USER MOD Single : A 92 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.049) USER MOD Single : A 95 LYS NZ :NH3+ -141:sc= -0.592 (180deg=-2.74!) USER MOD Single : A 97 ASN : amide:sc= -0.734 K(o=-0.73,f=-0.17) USER MOD Single : A 98 LYS NZ :NH3+ 162:sc= 0.00103 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.0274 K(o=-0.027,f=-1.8!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -157:sc= -0.099 (180deg=-0.414) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.643 -20.131 14.973 1.00 0.00 N ATOM 2 CA GLY A 1 6.482 -19.183 13.886 1.00 0.00 C ATOM 3 C GLY A 1 6.001 -19.842 12.609 1.00 0.00 C ATOM 4 O GLY A 1 6.048 -21.065 12.477 1.00 0.00 O ATOM 0 H1 GLY A 1 6.087 -19.816 15.794 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.310 -21.068 14.669 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.647 -20.189 15.237 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.772 -18.412 14.183 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.433 -18.685 13.698 1.00 0.00 H new ATOM 8 N SER A 2 5.535 -19.031 11.665 1.00 0.00 N ATOM 9 CA SER A 2 5.039 -19.543 10.393 1.00 0.00 C ATOM 10 C SER A 2 5.307 -18.550 9.266 1.00 0.00 C ATOM 11 O SER A 2 5.358 -17.340 9.488 1.00 0.00 O ATOM 12 CB SER A 2 3.540 -19.833 10.486 1.00 0.00 C ATOM 13 OG SER A 2 3.135 -20.755 9.489 1.00 0.00 O ATOM 0 H SER A 2 5.491 -18.016 11.757 1.00 0.00 H new ATOM 0 HA SER A 2 5.568 -20.470 10.171 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.304 -20.233 11.472 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.980 -18.905 10.376 1.00 0.00 H new ATOM 0 HG SER A 2 2.173 -20.925 9.571 1.00 0.00 H new ATOM 19 N SER A 3 5.477 -19.071 8.055 1.00 0.00 N ATOM 20 CA SER A 3 5.743 -18.232 6.892 1.00 0.00 C ATOM 21 C SER A 3 4.702 -18.467 5.803 1.00 0.00 C ATOM 22 O SER A 3 4.939 -19.209 4.851 1.00 0.00 O ATOM 23 CB SER A 3 7.144 -18.514 6.344 1.00 0.00 C ATOM 24 OG SER A 3 7.468 -17.623 5.291 1.00 0.00 O ATOM 0 H SER A 3 5.435 -20.070 7.854 1.00 0.00 H new ATOM 0 HA SER A 3 5.686 -17.190 7.206 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.877 -18.418 7.145 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.197 -19.542 5.985 1.00 0.00 H new ATOM 0 HG SER A 3 8.368 -17.823 4.959 1.00 0.00 H new ATOM 30 N GLY A 4 3.545 -17.827 5.950 1.00 0.00 N ATOM 31 CA GLY A 4 2.484 -17.978 4.973 1.00 0.00 C ATOM 32 C GLY A 4 2.221 -16.701 4.199 1.00 0.00 C ATOM 33 O GLY A 4 2.046 -15.635 4.789 1.00 0.00 O ATOM 0 H GLY A 4 3.325 -17.207 6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.747 -18.774 4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.570 -18.287 5.479 1.00 0.00 H new ATOM 37 N SER A 5 2.196 -16.808 2.875 1.00 0.00 N ATOM 38 CA SER A 5 1.959 -15.652 2.019 1.00 0.00 C ATOM 39 C SER A 5 0.617 -15.001 2.344 1.00 0.00 C ATOM 40 O SER A 5 0.543 -13.799 2.595 1.00 0.00 O ATOM 41 CB SER A 5 1.995 -16.064 0.546 1.00 0.00 C ATOM 42 OG SER A 5 1.784 -14.948 -0.301 1.00 0.00 O ATOM 0 H SER A 5 2.337 -17.684 2.371 1.00 0.00 H new ATOM 0 HA SER A 5 2.750 -14.926 2.205 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.957 -16.522 0.317 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.230 -16.818 0.357 1.00 0.00 H new ATOM 0 HG SER A 5 1.813 -15.237 -1.237 1.00 0.00 H new ATOM 48 N SER A 6 -0.441 -15.806 2.337 1.00 0.00 N ATOM 49 CA SER A 6 -1.781 -15.310 2.627 1.00 0.00 C ATOM 50 C SER A 6 -1.833 -14.663 4.008 1.00 0.00 C ATOM 51 O SER A 6 -1.403 -15.252 4.998 1.00 0.00 O ATOM 52 CB SER A 6 -2.798 -16.450 2.546 1.00 0.00 C ATOM 53 OG SER A 6 -2.830 -17.013 1.246 1.00 0.00 O ATOM 0 H SER A 6 -0.396 -16.804 2.134 1.00 0.00 H new ATOM 0 HA SER A 6 -2.032 -14.555 1.882 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.544 -17.221 3.273 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.788 -16.078 2.809 1.00 0.00 H new ATOM 0 HG SER A 6 -3.486 -17.740 1.221 1.00 0.00 H new ATOM 59 N GLY A 7 -2.365 -13.446 4.064 1.00 0.00 N ATOM 60 CA GLY A 7 -2.465 -12.738 5.327 1.00 0.00 C ATOM 61 C GLY A 7 -3.762 -13.030 6.055 1.00 0.00 C ATOM 62 O GLY A 7 -4.662 -13.666 5.505 1.00 0.00 O ATOM 0 H GLY A 7 -2.728 -12.938 3.258 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.625 -13.016 5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.387 -11.666 5.146 1.00 0.00 H new ATOM 66 N LYS A 8 -3.860 -12.567 7.296 1.00 0.00 N ATOM 67 CA LYS A 8 -5.056 -12.782 8.102 1.00 0.00 C ATOM 68 C LYS A 8 -5.768 -11.462 8.382 1.00 0.00 C ATOM 69 O LYS A 8 -5.158 -10.393 8.405 1.00 0.00 O ATOM 70 CB LYS A 8 -4.691 -13.467 9.421 1.00 0.00 C ATOM 71 CG LYS A 8 -3.743 -12.655 10.286 1.00 0.00 C ATOM 72 CD LYS A 8 -2.295 -13.047 10.045 1.00 0.00 C ATOM 73 CE LYS A 8 -1.342 -12.187 10.861 1.00 0.00 C ATOM 74 NZ LYS A 8 -1.287 -12.616 12.285 1.00 0.00 N ATOM 0 H LYS A 8 -3.124 -12.040 7.766 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.732 -13.427 7.540 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.604 -13.664 9.983 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.235 -14.433 9.205 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.874 -11.594 10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.991 -12.803 11.337 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.153 -14.096 10.304 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.061 -12.946 8.985 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.343 -12.240 10.427 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.658 -11.145 10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.627 -12.005 12.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.235 -12.541 12.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.961 -13.602 12.338 1.00 0.00 H new ATOM 88 N PRO A 9 -7.089 -11.536 8.603 1.00 0.00 N ATOM 89 CA PRO A 9 -7.911 -10.357 8.888 1.00 0.00 C ATOM 90 C PRO A 9 -7.616 -9.762 10.261 1.00 0.00 C ATOM 91 O PRO A 9 -7.705 -10.450 11.277 1.00 0.00 O ATOM 92 CB PRO A 9 -9.341 -10.900 8.837 1.00 0.00 C ATOM 93 CG PRO A 9 -9.207 -12.349 9.157 1.00 0.00 C ATOM 94 CD PRO A 9 -7.881 -12.777 8.592 1.00 0.00 C ATOM 0 HA PRO A 9 -7.722 -9.549 8.182 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.983 -10.393 9.557 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.786 -10.751 7.853 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.245 -12.516 10.233 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.022 -12.923 8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.418 -13.555 9.199 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.984 -13.179 7.584 1.00 0.00 H new ATOM 102 N ASN A 10 -7.265 -8.480 10.283 1.00 0.00 N ATOM 103 CA ASN A 10 -6.957 -7.794 11.532 1.00 0.00 C ATOM 104 C ASN A 10 -8.184 -7.064 12.069 1.00 0.00 C ATOM 105 O ASN A 10 -9.262 -7.120 11.475 1.00 0.00 O ATOM 106 CB ASN A 10 -5.811 -6.801 11.323 1.00 0.00 C ATOM 107 CG ASN A 10 -4.804 -7.288 10.299 1.00 0.00 C ATOM 108 OD1 ASN A 10 -4.322 -8.418 10.375 1.00 0.00 O ATOM 109 ND2 ASN A 10 -4.481 -6.434 9.334 1.00 0.00 N ATOM 0 H ASN A 10 -7.187 -7.896 9.450 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.653 -8.543 12.263 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.218 -5.843 11.001 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.305 -6.629 12.273 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.808 -6.705 8.617 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.906 -5.507 9.310 1.00 0.00 H new ATOM 116 N LEU A 11 -8.014 -6.381 13.195 1.00 0.00 N ATOM 117 CA LEU A 11 -9.108 -5.640 13.813 1.00 0.00 C ATOM 118 C LEU A 11 -9.721 -4.651 12.827 1.00 0.00 C ATOM 119 O LEU A 11 -10.937 -4.473 12.786 1.00 0.00 O ATOM 120 CB LEU A 11 -8.609 -4.897 15.055 1.00 0.00 C ATOM 121 CG LEU A 11 -9.569 -3.867 15.651 1.00 0.00 C ATOM 122 CD1 LEU A 11 -10.612 -4.551 16.521 1.00 0.00 C ATOM 123 CD2 LEU A 11 -8.803 -2.825 16.453 1.00 0.00 C ATOM 0 H LEU A 11 -7.129 -6.325 13.699 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.877 -6.354 14.108 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.374 -5.633 15.824 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.677 -4.392 14.802 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.082 -3.361 14.833 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.287 -3.803 16.937 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.182 -5.258 15.918 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.116 -5.083 17.333 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.502 -2.100 16.870 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.262 -3.315 17.263 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.095 -2.313 15.802 1.00 0.00 H new ATOM 135 N GLY A 12 -8.869 -4.010 12.032 1.00 0.00 N ATOM 136 CA GLY A 12 -9.345 -3.049 11.055 1.00 0.00 C ATOM 137 C GLY A 12 -9.811 -3.708 9.772 1.00 0.00 C ATOM 138 O GLY A 12 -9.624 -3.165 8.684 1.00 0.00 O ATOM 0 H GLY A 12 -7.857 -4.140 12.048 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.167 -2.476 11.484 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.548 -2.342 10.827 1.00 0.00 H new ATOM 142 N ASN A 13 -10.418 -4.884 9.899 1.00 0.00 N ATOM 143 CA ASN A 13 -10.910 -5.619 8.740 1.00 0.00 C ATOM 144 C ASN A 13 -9.908 -5.556 7.591 1.00 0.00 C ATOM 145 O ASN A 13 -10.288 -5.583 6.421 1.00 0.00 O ATOM 146 CB ASN A 13 -12.259 -5.057 8.288 1.00 0.00 C ATOM 147 CG ASN A 13 -13.292 -5.067 9.398 1.00 0.00 C ATOM 148 OD1 ASN A 13 -14.019 -6.045 9.575 1.00 0.00 O ATOM 149 ND2 ASN A 13 -13.360 -3.977 10.153 1.00 0.00 N ATOM 0 H ASN A 13 -10.581 -5.348 10.793 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.038 -6.662 9.030 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.123 -4.036 7.932 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.629 -5.642 7.446 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.035 -3.927 10.916 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.737 -3.190 9.970 1.00 0.00 H new ATOM 156 N GLY A 14 -8.627 -5.472 7.934 1.00 0.00 N ATOM 157 CA GLY A 14 -7.590 -5.406 6.920 1.00 0.00 C ATOM 158 C GLY A 14 -6.892 -6.737 6.718 1.00 0.00 C ATOM 159 O GLY A 14 -7.504 -7.794 6.864 1.00 0.00 O ATOM 0 H GLY A 14 -8.288 -5.448 8.896 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.029 -5.082 5.976 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.855 -4.653 7.205 1.00 0.00 H new ATOM 163 N ALA A 15 -5.608 -6.684 6.379 1.00 0.00 N ATOM 164 CA ALA A 15 -4.827 -7.894 6.156 1.00 0.00 C ATOM 165 C ALA A 15 -3.364 -7.679 6.527 1.00 0.00 C ATOM 166 O ALA A 15 -2.696 -6.803 5.978 1.00 0.00 O ATOM 167 CB ALA A 15 -4.945 -8.339 4.706 1.00 0.00 C ATOM 0 H ALA A 15 -5.087 -5.816 6.253 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.227 -8.678 6.799 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.357 -9.244 4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.990 -8.542 4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.573 -7.550 4.052 1.00 0.00 H new ATOM 173 N ASP A 16 -2.872 -8.483 7.464 1.00 0.00 N ATOM 174 CA ASP A 16 -1.487 -8.380 7.908 1.00 0.00 C ATOM 175 C ASP A 16 -0.547 -9.068 6.923 1.00 0.00 C ATOM 176 O ASP A 16 -0.535 -10.294 6.811 1.00 0.00 O ATOM 177 CB ASP A 16 -1.328 -8.998 9.299 1.00 0.00 C ATOM 178 CG ASP A 16 -0.113 -8.467 10.033 1.00 0.00 C ATOM 179 OD1 ASP A 16 -0.236 -7.423 10.707 1.00 0.00 O ATOM 180 OD2 ASP A 16 0.961 -9.097 9.934 1.00 0.00 O ATOM 0 H ASP A 16 -3.412 -9.212 7.930 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.225 -7.323 7.955 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.222 -8.795 9.888 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.248 -10.081 9.205 1.00 0.00 H new ATOM 185 N LEU A 17 0.239 -8.270 6.208 1.00 0.00 N ATOM 186 CA LEU A 17 1.182 -8.801 5.230 1.00 0.00 C ATOM 187 C LEU A 17 2.620 -8.598 5.695 1.00 0.00 C ATOM 188 O LEU A 17 2.938 -7.655 6.419 1.00 0.00 O ATOM 189 CB LEU A 17 0.973 -8.126 3.873 1.00 0.00 C ATOM 190 CG LEU A 17 -0.468 -7.751 3.524 1.00 0.00 C ATOM 191 CD1 LEU A 17 -0.499 -6.507 2.650 1.00 0.00 C ATOM 192 CD2 LEU A 17 -1.168 -8.911 2.830 1.00 0.00 C ATOM 0 H LEU A 17 0.242 -7.253 6.287 1.00 0.00 H new ATOM 0 HA LEU A 17 1.000 -9.871 5.129 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.580 -7.221 3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.352 -8.791 3.097 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.001 -7.533 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.532 -6.255 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.037 -5.676 3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.050 -6.697 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.192 -8.626 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.635 -9.161 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.178 -9.778 3.491 1.00 0.00 H new ATOM 204 N PRO A 18 3.513 -9.504 5.268 1.00 0.00 N ATOM 205 CA PRO A 18 4.934 -9.444 5.626 1.00 0.00 C ATOM 206 C PRO A 18 5.652 -8.277 4.958 1.00 0.00 C ATOM 207 O PRO A 18 6.715 -7.851 5.408 1.00 0.00 O ATOM 208 CB PRO A 18 5.485 -10.776 5.111 1.00 0.00 C ATOM 209 CG PRO A 18 4.563 -11.167 4.008 1.00 0.00 C ATOM 210 CD PRO A 18 3.205 -10.654 4.402 1.00 0.00 C ATOM 0 HA PRO A 18 5.079 -9.291 6.695 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.509 -10.669 4.752 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.501 -11.529 5.899 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.883 -10.735 3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.548 -12.249 3.877 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.620 -10.356 3.532 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.627 -11.412 4.931 1.00 0.00 H new ATOM 218 N ASN A 19 5.063 -7.763 3.883 1.00 0.00 N ATOM 219 CA ASN A 19 5.647 -6.643 3.153 1.00 0.00 C ATOM 220 C ASN A 19 5.154 -5.312 3.712 1.00 0.00 C ATOM 221 O ASN A 19 5.881 -4.318 3.709 1.00 0.00 O ATOM 222 CB ASN A 19 5.305 -6.743 1.666 1.00 0.00 C ATOM 223 CG ASN A 19 5.924 -7.962 1.009 1.00 0.00 C ATOM 224 OD1 ASN A 19 5.220 -8.823 0.483 1.00 0.00 O ATOM 225 ND2 ASN A 19 7.250 -8.039 1.039 1.00 0.00 N ATOM 0 H ASN A 19 4.182 -8.104 3.498 1.00 0.00 H new ATOM 0 HA ASN A 19 6.729 -6.688 3.274 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.222 -6.781 1.547 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.651 -5.844 1.156 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.724 -8.836 0.615 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.794 -7.301 1.486 1.00 0.00 H new ATOM 232 N TYR A 20 3.915 -5.301 4.192 1.00 0.00 N ATOM 233 CA TYR A 20 3.324 -4.093 4.753 1.00 0.00 C ATOM 234 C TYR A 20 1.952 -4.385 5.353 1.00 0.00 C ATOM 235 O TYR A 20 1.268 -5.322 4.940 1.00 0.00 O ATOM 236 CB TYR A 20 3.202 -3.012 3.677 1.00 0.00 C ATOM 237 CG TYR A 20 2.617 -3.516 2.377 1.00 0.00 C ATOM 238 CD1 TYR A 20 1.283 -3.896 2.294 1.00 0.00 C ATOM 239 CD2 TYR A 20 3.398 -3.612 1.232 1.00 0.00 C ATOM 240 CE1 TYR A 20 0.744 -4.357 1.109 1.00 0.00 C ATOM 241 CE2 TYR A 20 2.867 -4.071 0.042 1.00 0.00 C ATOM 242 CZ TYR A 20 1.540 -4.442 -0.014 1.00 0.00 C ATOM 243 OH TYR A 20 1.007 -4.901 -1.198 1.00 0.00 O ATOM 0 H TYR A 20 3.301 -6.115 4.203 1.00 0.00 H new ATOM 0 HA TYR A 20 3.979 -3.734 5.547 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.579 -2.202 4.056 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.189 -2.591 3.483 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.657 -3.830 3.171 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.438 -3.323 1.273 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.295 -4.649 1.062 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.488 -4.139 -0.839 1.00 0.00 H new ATOM 0 HH TYR A 20 0.048 -4.703 -1.223 1.00 0.00 H new ATOM 253 N ARG A 21 1.556 -3.577 6.330 1.00 0.00 N ATOM 254 CA ARG A 21 0.266 -3.748 6.989 1.00 0.00 C ATOM 255 C ARG A 21 -0.686 -2.613 6.623 1.00 0.00 C ATOM 256 O ARG A 21 -0.296 -1.445 6.603 1.00 0.00 O ATOM 257 CB ARG A 21 0.448 -3.806 8.506 1.00 0.00 C ATOM 258 CG ARG A 21 1.109 -2.567 9.089 1.00 0.00 C ATOM 259 CD ARG A 21 1.792 -2.871 10.413 1.00 0.00 C ATOM 260 NE ARG A 21 2.028 -1.662 11.197 1.00 0.00 N ATOM 261 CZ ARG A 21 2.872 -1.603 12.221 1.00 0.00 C ATOM 262 NH1 ARG A 21 3.558 -2.678 12.582 1.00 0.00 N ATOM 263 NH2 ARG A 21 3.033 -0.465 12.885 1.00 0.00 N ATOM 0 H ARG A 21 2.110 -2.797 6.683 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.167 -4.688 6.646 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.526 -3.942 8.975 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.048 -4.680 8.758 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.841 -2.177 8.382 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.360 -1.788 9.235 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.176 -3.562 10.989 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.742 -3.372 10.225 1.00 0.00 H new ATOM 0 HE ARG A 21 1.517 -0.816 10.944 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.439 -3.554 12.073 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.205 -2.629 13.369 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.508 0.365 12.609 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.681 -0.421 13.671 1.00 0.00 H new ATOM 277 N TRP A 22 -1.933 -2.964 6.334 1.00 0.00 N ATOM 278 CA TRP A 22 -2.941 -1.975 5.969 1.00 0.00 C ATOM 279 C TRP A 22 -4.303 -2.346 6.545 1.00 0.00 C ATOM 280 O TRP A 22 -4.706 -3.509 6.512 1.00 0.00 O ATOM 281 CB TRP A 22 -3.034 -1.850 4.447 1.00 0.00 C ATOM 282 CG TRP A 22 -3.566 -3.082 3.781 1.00 0.00 C ATOM 283 CD1 TRP A 22 -2.839 -4.058 3.161 1.00 0.00 C ATOM 284 CD2 TRP A 22 -4.940 -3.469 3.667 1.00 0.00 C ATOM 285 NE1 TRP A 22 -3.678 -5.028 2.668 1.00 0.00 N ATOM 286 CE2 TRP A 22 -4.972 -4.691 2.967 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.146 -2.904 4.091 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -6.162 -5.353 2.680 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.327 -3.563 3.805 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.328 -4.777 3.107 1.00 0.00 C ATOM 0 H TRP A 22 -2.271 -3.926 6.345 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.640 -1.015 6.388 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.676 -1.005 4.198 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.045 -1.628 4.047 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -1.763 -4.066 3.071 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.385 -5.864 2.162 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.155 -1.969 4.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.165 -6.288 2.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.265 -3.134 4.125 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.267 -5.269 2.901 1.00 0.00 H new ATOM 301 N THR A 23 -5.009 -1.351 7.073 1.00 0.00 N ATOM 302 CA THR A 23 -6.325 -1.574 7.657 1.00 0.00 C ATOM 303 C THR A 23 -7.382 -0.710 6.977 1.00 0.00 C ATOM 304 O THR A 23 -7.094 0.400 6.532 1.00 0.00 O ATOM 305 CB THR A 23 -6.328 -1.275 9.168 1.00 0.00 C ATOM 306 OG1 THR A 23 -5.838 0.050 9.405 1.00 0.00 O ATOM 307 CG2 THR A 23 -5.470 -2.281 9.920 1.00 0.00 C ATOM 0 H THR A 23 -4.691 -0.383 7.108 1.00 0.00 H new ATOM 0 HA THR A 23 -6.565 -2.626 7.502 1.00 0.00 H new ATOM 0 HB THR A 23 -7.353 -1.353 9.530 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.844 0.234 10.368 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.487 -2.050 10.985 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.862 -3.285 9.760 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.444 -2.230 9.554 1.00 0.00 H new ATOM 315 N GLN A 24 -8.604 -1.227 6.903 1.00 0.00 N ATOM 316 CA GLN A 24 -9.703 -0.501 6.277 1.00 0.00 C ATOM 317 C GLN A 24 -10.879 -0.361 7.238 1.00 0.00 C ATOM 318 O GLN A 24 -11.355 -1.347 7.802 1.00 0.00 O ATOM 319 CB GLN A 24 -10.153 -1.215 5.002 1.00 0.00 C ATOM 320 CG GLN A 24 -10.906 -2.510 5.262 1.00 0.00 C ATOM 321 CD GLN A 24 -10.793 -3.492 4.113 1.00 0.00 C ATOM 322 OE1 GLN A 24 -10.247 -3.170 3.057 1.00 0.00 O ATOM 323 NE2 GLN A 24 -11.310 -4.699 4.313 1.00 0.00 N ATOM 0 H GLN A 24 -8.858 -2.145 7.268 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.347 0.496 6.019 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.790 -0.544 4.425 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.278 -1.430 4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.521 -2.974 6.170 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.957 -2.285 5.440 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.753 -4.923 5.204 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.264 -5.402 3.576 1.00 0.00 H new ATOM 332 N THR A 25 -11.345 0.871 7.420 1.00 0.00 N ATOM 333 CA THR A 25 -12.464 1.140 8.313 1.00 0.00 C ATOM 334 C THR A 25 -13.576 1.891 7.590 1.00 0.00 C ATOM 335 O THR A 25 -13.313 2.741 6.738 1.00 0.00 O ATOM 336 CB THR A 25 -12.020 1.960 9.540 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.555 3.249 9.125 1.00 0.00 O ATOM 338 CG2 THR A 25 -10.919 1.239 10.302 1.00 0.00 C ATOM 0 H THR A 25 -10.964 1.698 6.960 1.00 0.00 H new ATOM 0 HA THR A 25 -12.840 0.173 8.648 1.00 0.00 H new ATOM 0 HB THR A 25 -12.879 2.080 10.200 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.839 3.141 8.465 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.622 1.836 11.164 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.286 0.270 10.641 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.059 1.093 9.648 1.00 0.00 H new ATOM 346 N LEU A 26 -14.819 1.574 7.935 1.00 0.00 N ATOM 347 CA LEU A 26 -15.973 2.221 7.319 1.00 0.00 C ATOM 348 C LEU A 26 -15.694 3.697 7.056 1.00 0.00 C ATOM 349 O LEU A 26 -16.252 4.290 6.133 1.00 0.00 O ATOM 350 CB LEU A 26 -17.204 2.073 8.215 1.00 0.00 C ATOM 351 CG LEU A 26 -18.046 0.816 7.997 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.184 0.754 9.005 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.588 0.776 6.576 1.00 0.00 C ATOM 0 H LEU A 26 -15.054 0.873 8.638 1.00 0.00 H new ATOM 0 HA LEU A 26 -16.166 1.732 6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -16.876 2.091 9.254 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -17.843 2.944 8.067 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.408 -0.055 8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.772 -0.147 8.834 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.775 0.734 10.015 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.821 1.631 8.889 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.185 -0.126 6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.210 1.653 6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.758 0.772 5.870 1.00 0.00 H new ATOM 365 N ALA A 27 -14.827 4.285 7.874 1.00 0.00 N ATOM 366 CA ALA A 27 -14.471 5.691 7.728 1.00 0.00 C ATOM 367 C ALA A 27 -13.440 5.883 6.621 1.00 0.00 C ATOM 368 O ALA A 27 -13.735 6.474 5.582 1.00 0.00 O ATOM 369 CB ALA A 27 -13.943 6.241 9.044 1.00 0.00 C ATOM 0 H ALA A 27 -14.358 3.809 8.645 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.370 6.242 7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.681 7.292 8.920 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.711 6.146 9.812 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.058 5.679 9.344 1.00 0.00 H new ATOM 375 N GLU A 28 -12.230 5.382 6.850 1.00 0.00 N ATOM 376 CA GLU A 28 -11.156 5.501 5.872 1.00 0.00 C ATOM 377 C GLU A 28 -10.187 4.327 5.981 1.00 0.00 C ATOM 378 O GLU A 28 -10.338 3.462 6.845 1.00 0.00 O ATOM 379 CB GLU A 28 -10.402 6.818 6.067 1.00 0.00 C ATOM 380 CG GLU A 28 -9.850 7.001 7.471 1.00 0.00 C ATOM 381 CD GLU A 28 -10.865 7.601 8.424 1.00 0.00 C ATOM 382 OE1 GLU A 28 -11.692 8.420 7.970 1.00 0.00 O ATOM 383 OE2 GLU A 28 -10.832 7.254 9.623 1.00 0.00 O ATOM 0 H GLU A 28 -11.969 4.890 7.705 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.603 5.490 4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.580 6.865 5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.071 7.647 5.838 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.522 6.036 7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.971 7.644 7.431 1.00 0.00 H new ATOM 390 N LEU A 29 -9.194 4.303 5.099 1.00 0.00 N ATOM 391 CA LEU A 29 -8.200 3.235 5.095 1.00 0.00 C ATOM 392 C LEU A 29 -6.835 3.761 5.528 1.00 0.00 C ATOM 393 O LEU A 29 -6.437 4.864 5.155 1.00 0.00 O ATOM 394 CB LEU A 29 -8.101 2.610 3.703 1.00 0.00 C ATOM 395 CG LEU A 29 -7.662 1.146 3.654 1.00 0.00 C ATOM 396 CD1 LEU A 29 -8.279 0.443 2.456 1.00 0.00 C ATOM 397 CD2 LEU A 29 -6.144 1.046 3.611 1.00 0.00 C ATOM 0 H LEU A 29 -9.056 5.011 4.378 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.517 2.473 5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.074 2.693 3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.400 3.199 3.111 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.013 0.651 4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.955 -0.598 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.366 0.483 2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.959 0.938 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.849 -0.003 3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.771 1.557 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.723 1.512 4.502 1.00 0.00 H new ATOM 409 N ASP A 30 -6.122 2.962 6.314 1.00 0.00 N ATOM 410 CA ASP A 30 -4.799 3.345 6.795 1.00 0.00 C ATOM 411 C ASP A 30 -3.757 2.301 6.406 1.00 0.00 C ATOM 412 O ASP A 30 -3.829 1.147 6.832 1.00 0.00 O ATOM 413 CB ASP A 30 -4.818 3.524 8.314 1.00 0.00 C ATOM 414 CG ASP A 30 -5.489 4.816 8.736 1.00 0.00 C ATOM 415 OD1 ASP A 30 -6.671 5.012 8.386 1.00 0.00 O ATOM 416 OD2 ASP A 30 -4.831 5.633 9.415 1.00 0.00 O ATOM 0 H ASP A 30 -6.437 2.045 6.632 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.529 4.293 6.329 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.339 2.682 8.770 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.796 3.509 8.692 1.00 0.00 H new ATOM 421 N LEU A 31 -2.789 2.712 5.595 1.00 0.00 N ATOM 422 CA LEU A 31 -1.732 1.813 5.147 1.00 0.00 C ATOM 423 C LEU A 31 -0.421 2.111 5.869 1.00 0.00 C ATOM 424 O LEU A 31 -0.142 3.257 6.221 1.00 0.00 O ATOM 425 CB LEU A 31 -1.535 1.937 3.635 1.00 0.00 C ATOM 426 CG LEU A 31 -0.147 1.573 3.107 1.00 0.00 C ATOM 427 CD1 LEU A 31 0.177 0.119 3.415 1.00 0.00 C ATOM 428 CD2 LEU A 31 -0.061 1.834 1.610 1.00 0.00 C ATOM 0 H LEU A 31 -2.714 3.663 5.234 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.033 0.793 5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.269 1.301 3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.755 2.964 3.343 1.00 0.00 H new ATOM 0 HG LEU A 31 0.588 2.202 3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.169 -0.122 3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.157 -0.038 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.562 -0.527 2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.934 1.569 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.806 1.230 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.249 2.890 1.413 1.00 0.00 H new ATOM 440 N ALA A 32 0.380 1.073 6.083 1.00 0.00 N ATOM 441 CA ALA A 32 1.663 1.225 6.758 1.00 0.00 C ATOM 442 C ALA A 32 2.721 0.319 6.136 1.00 0.00 C ATOM 443 O ALA A 32 2.640 -0.905 6.234 1.00 0.00 O ATOM 444 CB ALA A 32 1.517 0.927 8.243 1.00 0.00 C ATOM 0 H ALA A 32 0.163 0.118 5.799 1.00 0.00 H new ATOM 0 HA ALA A 32 1.989 2.258 6.637 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.483 1.044 8.734 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.799 1.619 8.684 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.164 -0.096 8.376 1.00 0.00 H new ATOM 450 N VAL A 33 3.714 0.929 5.496 1.00 0.00 N ATOM 451 CA VAL A 33 4.788 0.177 4.859 1.00 0.00 C ATOM 452 C VAL A 33 6.100 0.343 5.618 1.00 0.00 C ATOM 453 O VAL A 33 6.771 1.372 5.531 1.00 0.00 O ATOM 454 CB VAL A 33 4.994 0.620 3.398 1.00 0.00 C ATOM 455 CG1 VAL A 33 6.185 -0.099 2.784 1.00 0.00 C ATOM 456 CG2 VAL A 33 3.733 0.372 2.584 1.00 0.00 C ATOM 0 H VAL A 33 3.797 1.942 5.405 1.00 0.00 H new ATOM 0 HA VAL A 33 4.492 -0.872 4.875 1.00 0.00 H new ATOM 0 HB VAL A 33 5.202 1.690 3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.314 0.227 1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.084 0.135 3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.011 -1.175 2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.896 0.691 1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.492 -0.691 2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.906 0.938 3.012 1.00 0.00 H new ATOM 466 N PRO A 34 6.477 -0.694 6.381 1.00 0.00 N ATOM 467 CA PRO A 34 7.712 -0.688 7.170 1.00 0.00 C ATOM 468 C PRO A 34 8.959 -0.753 6.295 1.00 0.00 C ATOM 469 O PRO A 34 9.134 -1.688 5.513 1.00 0.00 O ATOM 470 CB PRO A 34 7.593 -1.952 8.025 1.00 0.00 C ATOM 471 CG PRO A 34 6.695 -2.852 7.248 1.00 0.00 C ATOM 472 CD PRO A 34 5.726 -1.952 6.532 1.00 0.00 C ATOM 0 HA PRO A 34 7.820 0.228 7.751 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.568 -2.411 8.190 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.176 -1.728 9.007 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.264 -3.455 6.540 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.171 -3.544 7.907 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.433 -2.364 5.566 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.811 -1.808 7.107 1.00 0.00 H new ATOM 480 N PHE A 35 9.825 0.246 6.431 1.00 0.00 N ATOM 481 CA PHE A 35 11.056 0.303 5.652 1.00 0.00 C ATOM 482 C PHE A 35 12.268 -0.007 6.527 1.00 0.00 C ATOM 483 O PHE A 35 12.623 0.771 7.412 1.00 0.00 O ATOM 484 CB PHE A 35 11.216 1.683 5.011 1.00 0.00 C ATOM 485 CG PHE A 35 10.436 1.847 3.738 1.00 0.00 C ATOM 486 CD1 PHE A 35 10.726 1.071 2.628 1.00 0.00 C ATOM 487 CD2 PHE A 35 9.411 2.776 3.653 1.00 0.00 C ATOM 488 CE1 PHE A 35 10.009 1.220 1.455 1.00 0.00 C ATOM 489 CE2 PHE A 35 8.691 2.929 2.483 1.00 0.00 C ATOM 490 CZ PHE A 35 8.990 2.149 1.383 1.00 0.00 C ATOM 0 H PHE A 35 9.697 1.027 7.074 1.00 0.00 H new ATOM 0 HA PHE A 35 10.994 -0.450 4.866 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.898 2.445 5.723 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.272 1.859 4.806 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.521 0.342 2.679 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.172 3.387 4.511 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.246 0.610 0.596 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.896 3.658 2.429 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.428 2.266 0.468 1.00 0.00 H new ATOM 500 N ARG A 36 12.897 -1.150 6.272 1.00 0.00 N ATOM 501 CA ARG A 36 14.067 -1.565 7.036 1.00 0.00 C ATOM 502 C ARG A 36 15.198 -0.551 6.892 1.00 0.00 C ATOM 503 O ARG A 36 16.160 -0.778 6.158 1.00 0.00 O ATOM 504 CB ARG A 36 14.542 -2.944 6.573 1.00 0.00 C ATOM 505 CG ARG A 36 15.291 -3.720 7.644 1.00 0.00 C ATOM 506 CD ARG A 36 15.403 -5.194 7.287 1.00 0.00 C ATOM 507 NE ARG A 36 14.094 -5.831 7.173 1.00 0.00 N ATOM 508 CZ ARG A 36 13.900 -7.140 7.296 1.00 0.00 C ATOM 509 NH1 ARG A 36 14.925 -7.945 7.536 1.00 0.00 N ATOM 510 NH2 ARG A 36 12.678 -7.644 7.179 1.00 0.00 N ATOM 0 H ARG A 36 12.616 -1.805 5.542 1.00 0.00 H new ATOM 0 HA ARG A 36 13.783 -1.620 8.087 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.679 -3.527 6.250 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.189 -2.824 5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 36 16.288 -3.298 7.770 1.00 0.00 H new ATOM 0 HG3 ARG A 36 14.776 -3.614 8.599 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.940 -5.299 6.344 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.991 -5.707 8.048 1.00 0.00 H new ATOM 0 HE ARG A 36 13.284 -5.239 6.989 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.865 -7.560 7.627 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.774 -8.949 7.630 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.887 -7.027 6.995 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.530 -8.649 7.273 1.00 0.00 H new ATOM 524 N VAL A 37 15.075 0.570 7.596 1.00 0.00 N ATOM 525 CA VAL A 37 16.087 1.618 7.548 1.00 0.00 C ATOM 526 C VAL A 37 16.622 1.931 8.941 1.00 0.00 C ATOM 527 O VAL A 37 15.909 1.800 9.935 1.00 0.00 O ATOM 528 CB VAL A 37 15.526 2.910 6.924 1.00 0.00 C ATOM 529 CG1 VAL A 37 15.111 2.670 5.480 1.00 0.00 C ATOM 530 CG2 VAL A 37 14.356 3.433 7.744 1.00 0.00 C ATOM 0 H VAL A 37 14.284 0.775 8.206 1.00 0.00 H new ATOM 0 HA VAL A 37 16.900 1.245 6.926 1.00 0.00 H new ATOM 0 HB VAL A 37 16.311 3.666 6.930 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.717 3.594 5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.976 2.345 4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.342 1.899 5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.972 4.346 7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.567 2.682 7.772 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.690 3.646 8.759 1.00 0.00 H new ATOM 540 N SER A 38 17.884 2.345 9.005 1.00 0.00 N ATOM 541 CA SER A 38 18.517 2.673 10.276 1.00 0.00 C ATOM 542 C SER A 38 18.741 4.177 10.400 1.00 0.00 C ATOM 543 O SER A 38 19.639 4.626 11.112 1.00 0.00 O ATOM 544 CB SER A 38 19.850 1.935 10.412 1.00 0.00 C ATOM 545 OG SER A 38 19.656 0.616 10.893 1.00 0.00 O ATOM 0 H SER A 38 18.488 2.461 8.191 1.00 0.00 H new ATOM 0 HA SER A 38 17.850 2.355 11.078 1.00 0.00 H new ATOM 0 HB2 SER A 38 20.352 1.903 9.445 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.504 2.481 11.092 1.00 0.00 H new ATOM 0 HG SER A 38 20.523 0.165 10.969 1.00 0.00 H new ATOM 551 N PHE A 39 17.917 4.951 9.700 1.00 0.00 N ATOM 552 CA PHE A 39 18.024 6.405 9.730 1.00 0.00 C ATOM 553 C PHE A 39 16.648 7.054 9.615 1.00 0.00 C ATOM 554 O PHE A 39 15.628 6.367 9.573 1.00 0.00 O ATOM 555 CB PHE A 39 18.928 6.893 8.596 1.00 0.00 C ATOM 556 CG PHE A 39 18.446 6.493 7.231 1.00 0.00 C ATOM 557 CD1 PHE A 39 18.796 5.266 6.690 1.00 0.00 C ATOM 558 CD2 PHE A 39 17.643 7.343 6.488 1.00 0.00 C ATOM 559 CE1 PHE A 39 18.355 4.896 5.434 1.00 0.00 C ATOM 560 CE2 PHE A 39 17.198 6.978 5.231 1.00 0.00 C ATOM 561 CZ PHE A 39 17.554 5.752 4.704 1.00 0.00 C ATOM 0 H PHE A 39 17.168 4.595 9.105 1.00 0.00 H new ATOM 0 HA PHE A 39 18.463 6.693 10.685 1.00 0.00 H new ATOM 0 HB2 PHE A 39 19.002 7.980 8.643 1.00 0.00 H new ATOM 0 HB3 PHE A 39 19.933 6.499 8.748 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.421 4.591 7.257 1.00 0.00 H new ATOM 0 HD2 PHE A 39 17.361 8.303 6.896 1.00 0.00 H new ATOM 0 HE1 PHE A 39 18.637 3.938 5.023 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.573 7.650 4.662 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.207 5.463 3.723 1.00 0.00 H new ATOM 571 N ARG A 40 16.630 8.382 9.565 1.00 0.00 N ATOM 572 CA ARG A 40 15.380 9.125 9.457 1.00 0.00 C ATOM 573 C ARG A 40 15.018 9.369 7.995 1.00 0.00 C ATOM 574 O ARG A 40 15.831 9.871 7.218 1.00 0.00 O ATOM 575 CB ARG A 40 15.490 10.460 10.196 1.00 0.00 C ATOM 576 CG ARG A 40 14.160 10.978 10.718 1.00 0.00 C ATOM 577 CD ARG A 40 14.201 12.479 10.956 1.00 0.00 C ATOM 578 NE ARG A 40 13.253 12.897 11.985 1.00 0.00 N ATOM 579 CZ ARG A 40 11.974 13.163 11.741 1.00 0.00 C ATOM 580 NH1 ARG A 40 11.494 13.055 10.510 1.00 0.00 N ATOM 581 NH2 ARG A 40 11.173 13.538 12.730 1.00 0.00 N ATOM 0 H ARG A 40 17.466 8.965 9.598 1.00 0.00 H new ATOM 0 HA ARG A 40 14.591 8.528 9.914 1.00 0.00 H new ATOM 0 HB2 ARG A 40 16.180 10.347 11.032 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.922 11.203 9.525 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.371 10.743 10.003 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.909 10.468 11.648 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.209 12.772 11.251 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.978 13.000 10.025 1.00 0.00 H new ATOM 0 HE ARG A 40 13.591 12.990 12.943 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.107 12.767 9.747 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.512 13.260 10.326 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.539 13.622 13.678 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.191 13.742 12.542 1.00 0.00 H new ATOM 595 N LEU A 41 13.792 9.011 7.627 1.00 0.00 N ATOM 596 CA LEU A 41 13.322 9.191 6.257 1.00 0.00 C ATOM 597 C LEU A 41 12.787 10.604 6.047 1.00 0.00 C ATOM 598 O LEU A 41 12.282 11.234 6.977 1.00 0.00 O ATOM 599 CB LEU A 41 12.232 8.167 5.933 1.00 0.00 C ATOM 600 CG LEU A 41 12.712 6.742 5.656 1.00 0.00 C ATOM 601 CD1 LEU A 41 11.531 5.830 5.362 1.00 0.00 C ATOM 602 CD2 LEU A 41 13.700 6.728 4.498 1.00 0.00 C ATOM 0 H LEU A 41 13.106 8.595 8.257 1.00 0.00 H new ATOM 0 HA LEU A 41 14.167 9.038 5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.530 8.137 6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.678 8.518 5.062 1.00 0.00 H new ATOM 0 HG LEU A 41 13.220 6.370 6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.891 4.820 5.167 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.859 5.817 6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.995 6.199 4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.031 5.706 4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.217 7.119 3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 41 14.561 7.349 4.746 1.00 0.00 H new ATOM 614 N LYS A 42 12.898 11.096 4.818 1.00 0.00 N ATOM 615 CA LYS A 42 12.423 12.433 4.482 1.00 0.00 C ATOM 616 C LYS A 42 11.403 12.380 3.349 1.00 0.00 C ATOM 617 O LYS A 42 11.558 11.616 2.397 1.00 0.00 O ATOM 618 CB LYS A 42 13.598 13.329 4.083 1.00 0.00 C ATOM 619 CG LYS A 42 14.688 13.408 5.138 1.00 0.00 C ATOM 620 CD LYS A 42 14.385 14.476 6.175 1.00 0.00 C ATOM 621 CE LYS A 42 15.149 14.231 7.467 1.00 0.00 C ATOM 622 NZ LYS A 42 16.613 14.438 7.294 1.00 0.00 N ATOM 0 H LYS A 42 13.313 10.588 4.037 1.00 0.00 H new ATOM 0 HA LYS A 42 11.938 12.851 5.364 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.029 12.956 3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.226 14.333 3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.790 12.441 5.630 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.643 13.625 4.660 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.647 15.456 5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.315 14.491 6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.777 14.901 8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.964 13.213 7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.098 14.261 8.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.974 13.781 6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.792 15.417 6.991 1.00 0.00 H new ATOM 636 N GLY A 43 10.361 13.198 3.458 1.00 0.00 N ATOM 637 CA GLY A 43 9.332 13.229 2.435 1.00 0.00 C ATOM 638 C GLY A 43 9.903 13.113 1.035 1.00 0.00 C ATOM 639 O GLY A 43 9.325 12.450 0.174 1.00 0.00 O ATOM 0 H GLY A 43 10.211 13.840 4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.629 12.414 2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.769 14.158 2.519 1.00 0.00 H new ATOM 643 N LYS A 44 11.040 13.761 0.806 1.00 0.00 N ATOM 644 CA LYS A 44 11.690 13.728 -0.499 1.00 0.00 C ATOM 645 C LYS A 44 12.378 12.387 -0.731 1.00 0.00 C ATOM 646 O LYS A 44 12.393 11.871 -1.849 1.00 0.00 O ATOM 647 CB LYS A 44 12.710 14.863 -0.612 1.00 0.00 C ATOM 648 CG LYS A 44 13.877 14.730 0.352 1.00 0.00 C ATOM 649 CD LYS A 44 15.026 13.954 -0.268 1.00 0.00 C ATOM 650 CE LYS A 44 16.368 14.405 0.287 1.00 0.00 C ATOM 651 NZ LYS A 44 16.482 14.137 1.748 1.00 0.00 N ATOM 0 H LYS A 44 11.531 14.316 1.507 1.00 0.00 H new ATOM 0 HA LYS A 44 10.923 13.859 -1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.094 14.895 -1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.206 15.812 -0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.223 15.721 0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.545 14.227 1.260 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.892 12.889 -0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.015 14.088 -1.350 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.171 13.890 -0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.498 15.471 0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.435 14.396 2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.775 14.701 2.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.316 13.126 1.930 1.00 0.00 H new ATOM 665 N ASP A 45 12.946 11.827 0.332 1.00 0.00 N ATOM 666 CA ASP A 45 13.633 10.544 0.244 1.00 0.00 C ATOM 667 C ASP A 45 12.681 9.448 -0.223 1.00 0.00 C ATOM 668 O ASP A 45 13.060 8.571 -1.000 1.00 0.00 O ATOM 669 CB ASP A 45 14.235 10.170 1.599 1.00 0.00 C ATOM 670 CG ASP A 45 15.297 9.094 1.484 1.00 0.00 C ATOM 671 OD1 ASP A 45 15.976 9.040 0.438 1.00 0.00 O ATOM 672 OD2 ASP A 45 15.449 8.307 2.441 1.00 0.00 O ATOM 0 H ASP A 45 12.944 12.241 1.264 1.00 0.00 H new ATOM 0 HA ASP A 45 14.435 10.639 -0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.670 11.058 2.058 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.442 9.824 2.263 1.00 0.00 H new ATOM 677 N VAL A 46 11.443 9.503 0.257 1.00 0.00 N ATOM 678 CA VAL A 46 10.435 8.515 -0.111 1.00 0.00 C ATOM 679 C VAL A 46 9.563 9.019 -1.255 1.00 0.00 C ATOM 680 O VAL A 46 9.373 10.224 -1.421 1.00 0.00 O ATOM 681 CB VAL A 46 9.536 8.157 1.087 1.00 0.00 C ATOM 682 CG1 VAL A 46 10.359 7.542 2.208 1.00 0.00 C ATOM 683 CG2 VAL A 46 8.788 9.388 1.577 1.00 0.00 C ATOM 0 H VAL A 46 11.113 10.221 0.902 1.00 0.00 H new ATOM 0 HA VAL A 46 10.970 7.622 -0.433 1.00 0.00 H new ATOM 0 HB VAL A 46 8.803 7.419 0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.706 7.296 3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.845 6.635 1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.117 8.254 2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.157 9.117 2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.504 10.150 1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.166 9.780 0.772 1.00 0.00 H new ATOM 693 N VAL A 47 9.034 8.089 -2.044 1.00 0.00 N ATOM 694 CA VAL A 47 8.180 8.438 -3.172 1.00 0.00 C ATOM 695 C VAL A 47 6.788 7.835 -3.016 1.00 0.00 C ATOM 696 O VAL A 47 6.619 6.616 -3.062 1.00 0.00 O ATOM 697 CB VAL A 47 8.787 7.962 -4.505 1.00 0.00 C ATOM 698 CG1 VAL A 47 7.783 8.120 -5.636 1.00 0.00 C ATOM 699 CG2 VAL A 47 10.069 8.723 -4.808 1.00 0.00 C ATOM 0 H VAL A 47 9.182 7.087 -1.922 1.00 0.00 H new ATOM 0 HA VAL A 47 8.102 9.525 -3.184 1.00 0.00 H new ATOM 0 HB VAL A 47 9.032 6.904 -4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.230 7.779 -6.570 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.895 7.526 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.503 9.169 -5.730 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.484 8.374 -5.753 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.851 9.789 -4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.791 8.552 -4.009 1.00 0.00 H new ATOM 709 N VAL A 48 5.793 8.697 -2.831 1.00 0.00 N ATOM 710 CA VAL A 48 4.415 8.249 -2.670 1.00 0.00 C ATOM 711 C VAL A 48 3.473 9.030 -3.580 1.00 0.00 C ATOM 712 O VAL A 48 3.373 10.253 -3.483 1.00 0.00 O ATOM 713 CB VAL A 48 3.943 8.400 -1.211 1.00 0.00 C ATOM 714 CG1 VAL A 48 2.465 8.063 -1.090 1.00 0.00 C ATOM 715 CG2 VAL A 48 4.776 7.521 -0.289 1.00 0.00 C ATOM 0 H VAL A 48 5.916 9.709 -2.789 1.00 0.00 H new ATOM 0 HA VAL A 48 4.391 7.195 -2.945 1.00 0.00 H new ATOM 0 HB VAL A 48 4.080 9.438 -0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.150 8.175 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.885 8.737 -1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.299 7.034 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.430 7.640 0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.672 6.478 -0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.824 7.815 -0.355 1.00 0.00 H new ATOM 725 N ASP A 49 2.785 8.315 -4.463 1.00 0.00 N ATOM 726 CA ASP A 49 1.850 8.941 -5.390 1.00 0.00 C ATOM 727 C ASP A 49 0.425 8.464 -5.129 1.00 0.00 C ATOM 728 O ASP A 49 0.060 7.343 -5.485 1.00 0.00 O ATOM 729 CB ASP A 49 2.247 8.632 -6.835 1.00 0.00 C ATOM 730 CG ASP A 49 1.770 9.694 -7.806 1.00 0.00 C ATOM 731 OD1 ASP A 49 0.574 10.051 -7.755 1.00 0.00 O ATOM 732 OD2 ASP A 49 2.593 10.170 -8.616 1.00 0.00 O ATOM 0 H ASP A 49 2.857 7.302 -4.556 1.00 0.00 H new ATOM 0 HA ASP A 49 1.888 10.019 -5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.332 8.545 -6.900 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.832 7.667 -7.124 1.00 0.00 H new ATOM 737 N ILE A 50 -0.376 9.321 -4.504 1.00 0.00 N ATOM 738 CA ILE A 50 -1.760 8.987 -4.196 1.00 0.00 C ATOM 739 C ILE A 50 -2.701 9.469 -5.295 1.00 0.00 C ATOM 740 O ILE A 50 -2.626 10.618 -5.729 1.00 0.00 O ATOM 741 CB ILE A 50 -2.202 9.599 -2.853 1.00 0.00 C ATOM 742 CG1 ILE A 50 -1.262 9.154 -1.731 1.00 0.00 C ATOM 743 CG2 ILE A 50 -3.637 9.205 -2.537 1.00 0.00 C ATOM 744 CD1 ILE A 50 -1.341 10.023 -0.495 1.00 0.00 C ATOM 0 H ILE A 50 -0.089 10.252 -4.201 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.813 7.901 -4.126 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.154 10.685 -2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.497 8.125 -1.458 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.238 9.158 -2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.934 9.645 -1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.296 9.568 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.711 8.119 -2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.648 9.648 0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.076 11.048 -0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.356 9.999 -0.098 1.00 0.00 H new ATOM 756 N GLN A 51 -3.586 8.583 -5.739 1.00 0.00 N ATOM 757 CA GLN A 51 -4.542 8.919 -6.788 1.00 0.00 C ATOM 758 C GLN A 51 -5.964 8.573 -6.359 1.00 0.00 C ATOM 759 O GLN A 51 -6.183 8.048 -5.267 1.00 0.00 O ATOM 760 CB GLN A 51 -4.193 8.180 -8.081 1.00 0.00 C ATOM 761 CG GLN A 51 -2.915 8.675 -8.738 1.00 0.00 C ATOM 762 CD GLN A 51 -2.768 8.190 -10.167 1.00 0.00 C ATOM 763 OE1 GLN A 51 -1.973 7.295 -10.453 1.00 0.00 O ATOM 764 NE2 GLN A 51 -3.537 8.781 -11.075 1.00 0.00 N ATOM 0 H GLN A 51 -3.661 7.628 -5.389 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.486 9.993 -6.965 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.093 7.116 -7.866 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.018 8.287 -8.785 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.903 9.765 -8.725 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.058 8.340 -8.154 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.183 9.519 -10.794 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.482 8.497 -12.053 1.00 0.00 H new ATOM 773 N ARG A 52 -6.927 8.871 -7.224 1.00 0.00 N ATOM 774 CA ARG A 52 -8.329 8.594 -6.934 1.00 0.00 C ATOM 775 C ARG A 52 -8.564 7.095 -6.773 1.00 0.00 C ATOM 776 O ARG A 52 -9.136 6.649 -5.778 1.00 0.00 O ATOM 777 CB ARG A 52 -9.221 9.144 -8.048 1.00 0.00 C ATOM 778 CG ARG A 52 -10.707 9.049 -7.741 1.00 0.00 C ATOM 779 CD ARG A 52 -11.145 10.131 -6.767 1.00 0.00 C ATOM 780 NE ARG A 52 -11.145 11.455 -7.384 1.00 0.00 N ATOM 781 CZ ARG A 52 -11.863 12.477 -6.931 1.00 0.00 C ATOM 782 NH1 ARG A 52 -12.635 12.327 -5.864 1.00 0.00 N ATOM 783 NH2 ARG A 52 -11.810 13.651 -7.547 1.00 0.00 N ATOM 0 H ARG A 52 -6.762 9.305 -8.132 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.585 9.088 -5.997 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.962 10.187 -8.228 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.014 8.601 -8.970 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.277 9.138 -8.666 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.931 8.068 -7.322 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.145 9.903 -6.398 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.479 10.133 -5.904 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.562 11.603 -8.208 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.679 11.426 -5.389 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.185 13.113 -5.518 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.218 13.769 -8.369 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.362 14.435 -7.199 1.00 0.00 H new ATOM 797 N ARG A 53 -8.119 6.322 -7.759 1.00 0.00 N ATOM 798 CA ARG A 53 -8.283 4.874 -7.727 1.00 0.00 C ATOM 799 C ARG A 53 -6.940 4.171 -7.906 1.00 0.00 C ATOM 800 O ARG A 53 -6.861 3.107 -8.521 1.00 0.00 O ATOM 801 CB ARG A 53 -9.254 4.425 -8.820 1.00 0.00 C ATOM 802 CG ARG A 53 -10.036 3.171 -8.463 1.00 0.00 C ATOM 803 CD ARG A 53 -11.319 3.065 -9.272 1.00 0.00 C ATOM 804 NE ARG A 53 -12.214 2.037 -8.747 1.00 0.00 N ATOM 805 CZ ARG A 53 -13.383 1.729 -9.298 1.00 0.00 C ATOM 806 NH1 ARG A 53 -13.796 2.367 -10.385 1.00 0.00 N ATOM 807 NH2 ARG A 53 -14.141 0.781 -8.762 1.00 0.00 N ATOM 0 H ARG A 53 -7.642 6.675 -8.589 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.691 4.601 -6.754 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.955 5.234 -9.026 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.696 4.245 -9.739 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.417 2.292 -8.643 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.275 3.180 -7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.831 4.027 -9.268 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.075 2.838 -10.310 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.926 1.528 -7.912 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.216 3.096 -10.800 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.694 2.129 -10.806 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.826 0.288 -7.926 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.038 0.545 -9.186 1.00 0.00 H new ATOM 821 N HIS A 54 -5.886 4.773 -7.364 1.00 0.00 N ATOM 822 CA HIS A 54 -4.546 4.205 -7.463 1.00 0.00 C ATOM 823 C HIS A 54 -3.623 4.804 -6.407 1.00 0.00 C ATOM 824 O HIS A 54 -3.791 5.954 -6.000 1.00 0.00 O ATOM 825 CB HIS A 54 -3.969 4.447 -8.858 1.00 0.00 C ATOM 826 CG HIS A 54 -2.682 3.723 -9.107 1.00 0.00 C ATOM 827 ND1 HIS A 54 -1.551 4.344 -9.594 1.00 0.00 N ATOM 828 CD2 HIS A 54 -2.349 2.423 -8.933 1.00 0.00 C ATOM 829 CE1 HIS A 54 -0.579 3.457 -9.710 1.00 0.00 C ATOM 830 NE2 HIS A 54 -1.037 2.283 -9.314 1.00 0.00 N ATOM 0 H HIS A 54 -5.934 5.654 -6.852 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.619 3.131 -7.289 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.701 4.137 -9.604 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.807 5.516 -8.995 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -1.477 5.334 -9.828 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -2.995 1.641 -8.563 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.420 3.658 -10.068 1.00 0.00 H new ATOM 839 N LEU A 55 -2.647 4.017 -5.966 1.00 0.00 N ATOM 840 CA LEU A 55 -1.697 4.469 -4.956 1.00 0.00 C ATOM 841 C LEU A 55 -0.321 3.853 -5.188 1.00 0.00 C ATOM 842 O LEU A 55 -0.208 2.722 -5.661 1.00 0.00 O ATOM 843 CB LEU A 55 -2.200 4.110 -3.557 1.00 0.00 C ATOM 844 CG LEU A 55 -1.159 4.155 -2.437 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.697 5.584 -2.196 1.00 0.00 C ATOM 846 CD2 LEU A 55 -1.725 3.554 -1.159 1.00 0.00 C ATOM 0 H LEU A 55 -2.493 3.063 -6.292 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.608 5.552 -5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.012 4.790 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.624 3.106 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.297 3.562 -2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.043 5.597 -1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.252 5.981 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.550 6.199 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.971 3.594 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.603 4.120 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.007 2.516 -1.339 1.00 0.00 H new ATOM 858 N ARG A 56 0.722 4.604 -4.850 1.00 0.00 N ATOM 859 CA ARG A 56 2.091 4.131 -5.021 1.00 0.00 C ATOM 860 C ARG A 56 2.955 4.522 -3.826 1.00 0.00 C ATOM 861 O ARG A 56 2.878 5.647 -3.333 1.00 0.00 O ATOM 862 CB ARG A 56 2.693 4.700 -6.307 1.00 0.00 C ATOM 863 CG ARG A 56 3.935 3.960 -6.778 1.00 0.00 C ATOM 864 CD ARG A 56 4.743 4.796 -7.758 1.00 0.00 C ATOM 865 NE ARG A 56 5.064 6.115 -7.219 1.00 0.00 N ATOM 866 CZ ARG A 56 5.346 7.169 -7.975 1.00 0.00 C ATOM 867 NH1 ARG A 56 5.348 7.060 -9.297 1.00 0.00 N ATOM 868 NH2 ARG A 56 5.628 8.336 -7.410 1.00 0.00 N ATOM 0 H ARG A 56 0.646 5.542 -4.456 1.00 0.00 H new ATOM 0 HA ARG A 56 2.067 3.043 -5.089 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.941 4.668 -7.095 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.944 5.749 -6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.555 3.704 -5.919 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.644 3.022 -7.252 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.666 4.272 -8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.182 4.910 -8.685 1.00 0.00 H new ATOM 0 HE ARG A 56 5.072 6.233 -6.206 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.132 6.165 -9.735 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.565 7.872 -9.875 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.628 8.424 -6.394 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.845 9.145 -7.992 1.00 0.00 H new ATOM 882 N VAL A 57 3.776 3.585 -3.364 1.00 0.00 N ATOM 883 CA VAL A 57 4.655 3.831 -2.227 1.00 0.00 C ATOM 884 C VAL A 57 6.025 3.199 -2.443 1.00 0.00 C ATOM 885 O VAL A 57 6.130 2.068 -2.916 1.00 0.00 O ATOM 886 CB VAL A 57 4.050 3.283 -0.920 1.00 0.00 C ATOM 887 CG1 VAL A 57 5.034 3.435 0.229 1.00 0.00 C ATOM 888 CG2 VAL A 57 2.737 3.986 -0.606 1.00 0.00 C ATOM 0 H VAL A 57 3.851 2.648 -3.760 1.00 0.00 H new ATOM 0 HA VAL A 57 4.766 4.912 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 57 3.845 2.221 -1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.589 3.043 1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.946 2.882 0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.274 4.490 0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.323 3.587 0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.915 5.055 -0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.031 3.820 -1.420 1.00 0.00 H new ATOM 898 N GLY A 58 7.074 3.937 -2.093 1.00 0.00 N ATOM 899 CA GLY A 58 8.425 3.431 -2.257 1.00 0.00 C ATOM 900 C GLY A 58 9.476 4.454 -1.875 1.00 0.00 C ATOM 901 O GLY A 58 9.211 5.366 -1.090 1.00 0.00 O ATOM 0 H GLY A 58 7.013 4.876 -1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.552 2.538 -1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.574 3.131 -3.294 1.00 0.00 H new ATOM 905 N LEU A 59 10.674 4.303 -2.428 1.00 0.00 N ATOM 906 CA LEU A 59 11.772 5.220 -2.140 1.00 0.00 C ATOM 907 C LEU A 59 12.420 5.715 -3.429 1.00 0.00 C ATOM 908 O LEU A 59 12.506 4.983 -4.415 1.00 0.00 O ATOM 909 CB LEU A 59 12.818 4.534 -1.260 1.00 0.00 C ATOM 910 CG LEU A 59 12.289 3.842 -0.003 1.00 0.00 C ATOM 911 CD1 LEU A 59 13.400 3.066 0.687 1.00 0.00 C ATOM 912 CD2 LEU A 59 11.675 4.859 0.948 1.00 0.00 C ATOM 0 H LEU A 59 10.910 3.554 -3.079 1.00 0.00 H new ATOM 0 HA LEU A 59 11.365 6.079 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.343 3.794 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.554 5.279 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 59 11.512 3.137 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 59 13.005 2.580 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.793 2.311 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.200 3.750 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.304 4.348 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.431 5.589 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.850 5.369 0.452 1.00 0.00 H new ATOM 924 N LYS A 60 12.878 6.962 -3.413 1.00 0.00 N ATOM 925 CA LYS A 60 13.523 7.556 -4.578 1.00 0.00 C ATOM 926 C LYS A 60 14.307 6.506 -5.360 1.00 0.00 C ATOM 927 O LYS A 60 13.893 6.084 -6.438 1.00 0.00 O ATOM 928 CB LYS A 60 14.456 8.690 -4.148 1.00 0.00 C ATOM 929 CG LYS A 60 14.554 9.815 -5.164 1.00 0.00 C ATOM 930 CD LYS A 60 15.088 9.318 -6.497 1.00 0.00 C ATOM 931 CE LYS A 60 14.809 10.311 -7.614 1.00 0.00 C ATOM 932 NZ LYS A 60 15.602 11.561 -7.457 1.00 0.00 N ATOM 0 H LYS A 60 12.814 7.582 -2.605 1.00 0.00 H new ATOM 0 HA LYS A 60 12.745 7.961 -5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 60 14.106 9.098 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.452 8.283 -3.972 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.571 10.262 -5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.207 10.598 -4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.162 9.148 -6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.630 8.359 -6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.042 9.852 -8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.747 10.554 -7.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 15.383 12.212 -8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.361 12.013 -6.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 16.617 11.333 -7.471 1.00 0.00 H new ATOM 946 N GLY A 61 15.442 6.089 -4.806 1.00 0.00 N ATOM 947 CA GLY A 61 16.265 5.091 -5.465 1.00 0.00 C ATOM 948 C GLY A 61 15.826 3.675 -5.147 1.00 0.00 C ATOM 949 O GLY A 61 16.593 2.892 -4.590 1.00 0.00 O ATOM 0 H GLY A 61 15.806 6.424 -3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 61 16.226 5.247 -6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 61 17.304 5.223 -5.161 1.00 0.00 H new ATOM 953 N GLN A 62 14.587 3.348 -5.501 1.00 0.00 N ATOM 954 CA GLN A 62 14.047 2.018 -5.248 1.00 0.00 C ATOM 955 C GLN A 62 12.635 1.888 -5.809 1.00 0.00 C ATOM 956 O GLN A 62 11.914 2.872 -5.977 1.00 0.00 O ATOM 957 CB GLN A 62 14.041 1.724 -3.746 1.00 0.00 C ATOM 958 CG GLN A 62 15.159 0.794 -3.304 1.00 0.00 C ATOM 959 CD GLN A 62 14.819 0.035 -2.036 1.00 0.00 C ATOM 960 OE1 GLN A 62 13.663 -0.004 -1.614 1.00 0.00 O ATOM 961 NE2 GLN A 62 15.826 -0.574 -1.423 1.00 0.00 N ATOM 0 H GLN A 62 13.939 3.986 -5.963 1.00 0.00 H new ATOM 0 HA GLN A 62 14.686 1.292 -5.751 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.124 2.664 -3.200 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.083 1.281 -3.475 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.372 0.083 -4.102 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.067 1.375 -3.143 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.768 -0.515 -1.809 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.658 -1.101 -0.566 1.00 0.00 H new ATOM 970 N PRO A 63 12.228 0.645 -6.107 1.00 0.00 N ATOM 971 CA PRO A 63 10.899 0.356 -6.654 1.00 0.00 C ATOM 972 C PRO A 63 9.790 0.579 -5.631 1.00 0.00 C ATOM 973 O PRO A 63 10.004 0.501 -4.421 1.00 0.00 O ATOM 974 CB PRO A 63 10.986 -1.124 -7.035 1.00 0.00 C ATOM 975 CG PRO A 63 12.040 -1.683 -6.144 1.00 0.00 C ATOM 976 CD PRO A 63 13.035 -0.575 -5.932 1.00 0.00 C ATOM 0 HA PRO A 63 10.651 1.011 -7.489 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.032 -1.628 -6.884 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.249 -1.248 -8.086 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.615 -2.012 -5.196 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.515 -2.552 -6.599 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.483 -0.622 -4.940 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.851 -0.624 -6.653 1.00 0.00 H new ATOM 984 N PRO A 64 8.576 0.863 -6.125 1.00 0.00 N ATOM 985 CA PRO A 64 7.410 1.102 -5.271 1.00 0.00 C ATOM 986 C PRO A 64 6.935 -0.166 -4.569 1.00 0.00 C ATOM 987 O PRO A 64 6.410 -1.080 -5.206 1.00 0.00 O ATOM 988 CB PRO A 64 6.346 1.600 -6.253 1.00 0.00 C ATOM 989 CG PRO A 64 6.746 1.024 -7.568 1.00 0.00 C ATOM 990 CD PRO A 64 8.249 0.972 -7.557 1.00 0.00 C ATOM 0 HA PRO A 64 7.631 1.805 -4.468 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.350 1.266 -5.961 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.319 2.689 -6.289 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.322 0.029 -7.703 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.383 1.640 -8.391 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.626 0.119 -8.121 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.685 1.866 -8.002 1.00 0.00 H new ATOM 998 N VAL A 65 7.124 -0.216 -3.255 1.00 0.00 N ATOM 999 CA VAL A 65 6.714 -1.372 -2.467 1.00 0.00 C ATOM 1000 C VAL A 65 5.240 -1.695 -2.690 1.00 0.00 C ATOM 1001 O VAL A 65 4.852 -2.861 -2.755 1.00 0.00 O ATOM 1002 CB VAL A 65 6.955 -1.141 -0.963 1.00 0.00 C ATOM 1003 CG1 VAL A 65 6.561 -2.373 -0.163 1.00 0.00 C ATOM 1004 CG2 VAL A 65 8.408 -0.772 -0.708 1.00 0.00 C ATOM 0 H VAL A 65 7.559 0.531 -2.713 1.00 0.00 H new ATOM 0 HA VAL A 65 7.322 -2.213 -2.800 1.00 0.00 H new ATOM 0 HB VAL A 65 6.330 -0.310 -0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.738 -2.191 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.504 -2.588 -0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.158 -3.225 -0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.561 -0.612 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.054 -1.580 -1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.652 0.142 -1.250 1.00 0.00 H new ATOM 1014 N VAL A 66 4.423 -0.653 -2.808 1.00 0.00 N ATOM 1015 CA VAL A 66 2.992 -0.825 -3.026 1.00 0.00 C ATOM 1016 C VAL A 66 2.564 -0.228 -4.362 1.00 0.00 C ATOM 1017 O VAL A 66 2.553 0.991 -4.534 1.00 0.00 O ATOM 1018 CB VAL A 66 2.170 -0.173 -1.898 1.00 0.00 C ATOM 1019 CG1 VAL A 66 0.683 -0.249 -2.208 1.00 0.00 C ATOM 1020 CG2 VAL A 66 2.480 -0.833 -0.563 1.00 0.00 C ATOM 0 H VAL A 66 4.728 0.319 -2.756 1.00 0.00 H new ATOM 0 HA VAL A 66 2.799 -1.898 -3.032 1.00 0.00 H new ATOM 0 HB VAL A 66 2.449 0.879 -1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.119 0.217 -1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.479 0.275 -3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.384 -1.293 -2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.891 -0.360 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.231 -1.893 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.541 -0.720 -0.339 1.00 0.00 H new ATOM 1030 N ASP A 67 2.212 -1.095 -5.305 1.00 0.00 N ATOM 1031 CA ASP A 67 1.781 -0.654 -6.627 1.00 0.00 C ATOM 1032 C ASP A 67 0.612 -1.496 -7.126 1.00 0.00 C ATOM 1033 O ASP A 67 0.767 -2.681 -7.419 1.00 0.00 O ATOM 1034 CB ASP A 67 2.943 -0.733 -7.618 1.00 0.00 C ATOM 1035 CG ASP A 67 2.567 -0.219 -8.994 1.00 0.00 C ATOM 1036 OD1 ASP A 67 1.669 0.645 -9.078 1.00 0.00 O ATOM 1037 OD2 ASP A 67 3.170 -0.680 -9.986 1.00 0.00 O ATOM 0 H ASP A 67 2.217 -2.107 -5.179 1.00 0.00 H new ATOM 0 HA ASP A 67 1.451 0.382 -6.548 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.784 -0.155 -7.235 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.278 -1.767 -7.699 1.00 0.00 H new ATOM 1042 N GLY A 68 -0.561 -0.875 -7.220 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.740 -1.583 -7.683 1.00 0.00 C ATOM 1044 C GLY A 68 -2.997 -0.742 -7.584 1.00 0.00 C ATOM 1045 O GLY A 68 -3.096 0.139 -6.730 1.00 0.00 O ATOM 0 H GLY A 68 -0.715 0.105 -6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.592 -1.890 -8.718 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.868 -2.493 -7.096 1.00 0.00 H new ATOM 1049 N GLU A 69 -3.960 -1.014 -8.460 1.00 0.00 N ATOM 1050 CA GLU A 69 -5.215 -0.273 -8.468 1.00 0.00 C ATOM 1051 C GLU A 69 -5.977 -0.478 -7.161 1.00 0.00 C ATOM 1052 O GLU A 69 -6.117 -1.604 -6.682 1.00 0.00 O ATOM 1053 CB GLU A 69 -6.083 -0.709 -9.650 1.00 0.00 C ATOM 1054 CG GLU A 69 -7.427 -0.004 -9.712 1.00 0.00 C ATOM 1055 CD GLU A 69 -8.051 -0.056 -11.093 1.00 0.00 C ATOM 1056 OE1 GLU A 69 -7.572 0.672 -11.988 1.00 0.00 O ATOM 1057 OE2 GLU A 69 -9.017 -0.825 -11.280 1.00 0.00 O ATOM 0 H GLU A 69 -3.894 -1.741 -9.172 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.980 0.787 -8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.541 -0.521 -10.577 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.249 -1.785 -9.590 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.106 -0.462 -8.993 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.301 1.037 -9.413 1.00 0.00 H new ATOM 1064 N LEU A 70 -6.466 0.617 -6.590 1.00 0.00 N ATOM 1065 CA LEU A 70 -7.213 0.558 -5.339 1.00 0.00 C ATOM 1066 C LEU A 70 -8.573 -0.102 -5.546 1.00 0.00 C ATOM 1067 O LEU A 70 -9.192 0.048 -6.600 1.00 0.00 O ATOM 1068 CB LEU A 70 -7.399 1.965 -4.767 1.00 0.00 C ATOM 1069 CG LEU A 70 -6.144 2.630 -4.200 1.00 0.00 C ATOM 1070 CD1 LEU A 70 -6.306 4.142 -4.174 1.00 0.00 C ATOM 1071 CD2 LEU A 70 -5.843 2.100 -2.805 1.00 0.00 C ATOM 0 H LEU A 70 -6.359 1.556 -6.973 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.642 -0.044 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.802 2.605 -5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.149 1.919 -3.978 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.303 2.386 -4.849 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.403 4.598 -3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.472 4.508 -5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.159 4.406 -3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.947 2.584 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.684 2.313 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.682 1.023 -2.852 1.00 0.00 H new ATOM 1083 N TYR A 71 -9.031 -0.830 -4.535 1.00 0.00 N ATOM 1084 CA TYR A 71 -10.317 -1.513 -4.606 1.00 0.00 C ATOM 1085 C TYR A 71 -11.415 -0.560 -5.069 1.00 0.00 C ATOM 1086 O TYR A 71 -12.137 -0.845 -6.023 1.00 0.00 O ATOM 1087 CB TYR A 71 -10.681 -2.105 -3.243 1.00 0.00 C ATOM 1088 CG TYR A 71 -12.126 -2.536 -3.136 1.00 0.00 C ATOM 1089 CD1 TYR A 71 -12.582 -3.673 -3.792 1.00 0.00 C ATOM 1090 CD2 TYR A 71 -13.034 -1.808 -2.378 1.00 0.00 C ATOM 1091 CE1 TYR A 71 -13.902 -4.070 -3.697 1.00 0.00 C ATOM 1092 CE2 TYR A 71 -14.356 -2.199 -2.277 1.00 0.00 C ATOM 1093 CZ TYR A 71 -14.785 -3.330 -2.939 1.00 0.00 C ATOM 1094 OH TYR A 71 -16.100 -3.724 -2.841 1.00 0.00 O ATOM 0 H TYR A 71 -8.531 -0.963 -3.656 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.231 -2.320 -5.333 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -10.039 -2.964 -3.046 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.473 -1.367 -2.468 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.893 -4.256 -4.386 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.702 -0.921 -1.859 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.241 -4.956 -4.214 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -15.049 -1.622 -1.683 1.00 0.00 H new ATOM 0 HH TYR A 71 -16.588 -3.095 -2.269 1.00 0.00 H new ATOM 1104 N ASN A 72 -11.534 0.572 -4.384 1.00 0.00 N ATOM 1105 CA ASN A 72 -12.544 1.569 -4.723 1.00 0.00 C ATOM 1106 C ASN A 72 -11.926 2.961 -4.811 1.00 0.00 C ATOM 1107 O ASN A 72 -10.711 3.120 -4.696 1.00 0.00 O ATOM 1108 CB ASN A 72 -13.667 1.561 -3.684 1.00 0.00 C ATOM 1109 CG ASN A 72 -14.680 0.461 -3.936 1.00 0.00 C ATOM 1110 OD1 ASN A 72 -14.610 -0.244 -4.943 1.00 0.00 O ATOM 1111 ND2 ASN A 72 -15.629 0.310 -3.020 1.00 0.00 N ATOM 0 H ASN A 72 -10.944 0.823 -3.591 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.959 1.313 -5.698 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.238 1.435 -2.690 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -14.173 2.526 -3.693 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.339 -0.413 -3.136 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.648 0.917 -2.201 1.00 0.00 H new ATOM 1118 N GLU A 73 -12.772 3.966 -5.014 1.00 0.00 N ATOM 1119 CA GLU A 73 -12.308 5.345 -5.117 1.00 0.00 C ATOM 1120 C GLU A 73 -12.019 5.926 -3.736 1.00 0.00 C ATOM 1121 O GLU A 73 -12.729 5.646 -2.771 1.00 0.00 O ATOM 1122 CB GLU A 73 -13.351 6.204 -5.836 1.00 0.00 C ATOM 1123 CG GLU A 73 -13.280 6.107 -7.351 1.00 0.00 C ATOM 1124 CD GLU A 73 -13.770 7.366 -8.040 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -13.648 8.455 -7.440 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -14.274 7.262 -9.177 1.00 0.00 O ATOM 0 H GLU A 73 -13.781 3.852 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.383 5.349 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.346 5.903 -5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.218 7.245 -5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.251 5.910 -7.651 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.877 5.259 -7.685 1.00 0.00 H new ATOM 1133 N VAL A 74 -10.969 6.737 -3.650 1.00 0.00 N ATOM 1134 CA VAL A 74 -10.585 7.359 -2.389 1.00 0.00 C ATOM 1135 C VAL A 74 -10.257 8.835 -2.581 1.00 0.00 C ATOM 1136 O VAL A 74 -9.391 9.192 -3.381 1.00 0.00 O ATOM 1137 CB VAL A 74 -9.368 6.652 -1.762 1.00 0.00 C ATOM 1138 CG1 VAL A 74 -9.657 5.172 -1.560 1.00 0.00 C ATOM 1139 CG2 VAL A 74 -8.133 6.848 -2.628 1.00 0.00 C ATOM 0 H VAL A 74 -10.369 6.978 -4.439 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.438 7.264 -1.717 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.174 7.097 -0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.787 4.689 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.514 5.056 -0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.878 4.710 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.283 6.342 -2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.313 6.430 -3.619 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.916 7.913 -2.717 1.00 0.00 H new ATOM 1149 N LYS A 75 -10.954 9.692 -1.843 1.00 0.00 N ATOM 1150 CA LYS A 75 -10.737 11.131 -1.929 1.00 0.00 C ATOM 1151 C LYS A 75 -9.246 11.457 -1.942 1.00 0.00 C ATOM 1152 O LYS A 75 -8.614 11.559 -0.890 1.00 0.00 O ATOM 1153 CB LYS A 75 -11.415 11.842 -0.756 1.00 0.00 C ATOM 1154 CG LYS A 75 -11.913 13.236 -1.095 1.00 0.00 C ATOM 1155 CD LYS A 75 -13.061 13.653 -0.191 1.00 0.00 C ATOM 1156 CE LYS A 75 -13.593 15.028 -0.564 1.00 0.00 C ATOM 1157 NZ LYS A 75 -14.939 15.279 0.021 1.00 0.00 N ATOM 0 H LYS A 75 -11.675 9.414 -1.177 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.177 11.484 -2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.255 11.239 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.711 11.909 0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.095 13.949 -0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.239 13.264 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.865 12.920 -0.260 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.725 13.661 0.846 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.898 15.793 -0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.647 15.115 -1.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.267 16.226 -0.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.609 14.565 -0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.883 15.222 1.058 1.00 0.00 H new ATOM 1171 N VAL A 76 -8.691 11.620 -3.138 1.00 0.00 N ATOM 1172 CA VAL A 76 -7.276 11.937 -3.287 1.00 0.00 C ATOM 1173 C VAL A 76 -6.988 13.376 -2.874 1.00 0.00 C ATOM 1174 O VAL A 76 -5.975 13.658 -2.235 1.00 0.00 O ATOM 1175 CB VAL A 76 -6.803 11.727 -4.738 1.00 0.00 C ATOM 1176 CG1 VAL A 76 -7.658 12.536 -5.701 1.00 0.00 C ATOM 1177 CG2 VAL A 76 -5.333 12.095 -4.878 1.00 0.00 C ATOM 0 H VAL A 76 -9.200 11.538 -4.018 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.730 11.258 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.915 10.672 -4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.309 12.375 -6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.698 12.219 -5.619 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.581 13.595 -5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.016 11.941 -5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.193 13.142 -4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.736 11.467 -4.217 1.00 0.00 H new ATOM 1187 N GLU A 77 -7.888 14.283 -3.244 1.00 0.00 N ATOM 1188 CA GLU A 77 -7.730 15.694 -2.911 1.00 0.00 C ATOM 1189 C GLU A 77 -7.600 15.886 -1.403 1.00 0.00 C ATOM 1190 O GLU A 77 -7.086 16.904 -0.939 1.00 0.00 O ATOM 1191 CB GLU A 77 -8.918 16.501 -3.439 1.00 0.00 C ATOM 1192 CG GLU A 77 -9.191 16.285 -4.918 1.00 0.00 C ATOM 1193 CD GLU A 77 -9.896 17.465 -5.559 1.00 0.00 C ATOM 1194 OE1 GLU A 77 -9.241 18.509 -5.760 1.00 0.00 O ATOM 1195 OE2 GLU A 77 -11.103 17.344 -5.859 1.00 0.00 O ATOM 0 H GLU A 77 -8.732 14.066 -3.773 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.817 16.053 -3.385 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.809 16.234 -2.871 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.733 17.561 -3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.249 16.105 -5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.800 15.390 -5.044 1.00 0.00 H new ATOM 1202 N GLU A 78 -8.069 14.901 -0.644 1.00 0.00 N ATOM 1203 CA GLU A 78 -8.007 14.963 0.812 1.00 0.00 C ATOM 1204 C GLU A 78 -6.953 14.002 1.352 1.00 0.00 C ATOM 1205 O GLU A 78 -6.237 14.318 2.302 1.00 0.00 O ATOM 1206 CB GLU A 78 -9.373 14.633 1.418 1.00 0.00 C ATOM 1207 CG GLU A 78 -10.269 15.847 1.594 1.00 0.00 C ATOM 1208 CD GLU A 78 -9.906 16.668 2.816 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -9.890 16.101 3.929 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -9.636 17.878 2.660 1.00 0.00 O ATOM 0 H GLU A 78 -8.496 14.051 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.728 15.978 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.879 13.908 0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.226 14.157 2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.202 16.475 0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.306 15.520 1.675 1.00 0.00 H new ATOM 1217 N SER A 79 -6.864 12.825 0.740 1.00 0.00 N ATOM 1218 CA SER A 79 -5.901 11.815 1.162 1.00 0.00 C ATOM 1219 C SER A 79 -4.517 12.429 1.353 1.00 0.00 C ATOM 1220 O SER A 79 -4.176 13.427 0.718 1.00 0.00 O ATOM 1221 CB SER A 79 -5.831 10.685 0.133 1.00 0.00 C ATOM 1222 OG SER A 79 -6.929 9.799 0.273 1.00 0.00 O ATOM 0 H SER A 79 -7.447 12.548 -0.050 1.00 0.00 H new ATOM 0 HA SER A 79 -6.234 11.408 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.824 11.105 -0.873 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.898 10.135 0.255 1.00 0.00 H new ATOM 0 HG SER A 79 -7.721 10.190 -0.151 1.00 0.00 H new ATOM 1228 N SER A 80 -3.725 11.825 2.234 1.00 0.00 N ATOM 1229 CA SER A 80 -2.380 12.314 2.513 1.00 0.00 C ATOM 1230 C SER A 80 -1.590 11.295 3.327 1.00 0.00 C ATOM 1231 O SER A 80 -2.152 10.571 4.149 1.00 0.00 O ATOM 1232 CB SER A 80 -2.444 13.645 3.265 1.00 0.00 C ATOM 1233 OG SER A 80 -3.206 13.523 4.453 1.00 0.00 O ATOM 0 H SER A 80 -3.992 10.997 2.766 1.00 0.00 H new ATOM 0 HA SER A 80 -1.871 12.467 1.561 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.435 13.977 3.509 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.885 14.408 2.623 1.00 0.00 H new ATOM 0 HG SER A 80 -3.230 14.386 4.916 1.00 0.00 H new ATOM 1239 N TRP A 81 -0.284 11.244 3.092 1.00 0.00 N ATOM 1240 CA TRP A 81 0.585 10.313 3.803 1.00 0.00 C ATOM 1241 C TRP A 81 1.539 11.059 4.730 1.00 0.00 C ATOM 1242 O TRP A 81 1.631 12.286 4.686 1.00 0.00 O ATOM 1243 CB TRP A 81 1.380 9.464 2.809 1.00 0.00 C ATOM 1244 CG TRP A 81 2.202 10.279 1.857 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.760 10.926 0.739 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.609 10.531 1.939 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.808 11.566 0.121 1.00 0.00 N ATOM 1248 CE2 TRP A 81 3.953 11.339 0.838 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.612 10.154 2.837 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 5.256 11.775 0.612 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.905 10.587 2.611 1.00 0.00 C ATOM 1252 CH2 TRP A 81 6.217 11.391 1.506 1.00 0.00 C ATOM 0 H TRP A 81 0.197 11.836 2.415 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.043 9.659 4.408 1.00 0.00 H new ATOM 0 HB2 TRP A 81 2.036 8.791 3.360 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.690 8.841 2.240 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.738 10.934 0.391 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.744 12.120 -0.733 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.381 9.536 3.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.499 12.394 -0.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.688 10.301 3.297 1.00 0.00 H new ATOM 0 HH2 TRP A 81 7.237 11.714 1.358 1.00 0.00 H new ATOM 1263 N LEU A 82 2.247 10.311 5.569 1.00 0.00 N ATOM 1264 CA LEU A 82 3.195 10.902 6.507 1.00 0.00 C ATOM 1265 C LEU A 82 4.221 9.871 6.967 1.00 0.00 C ATOM 1266 O LEU A 82 3.895 8.698 7.155 1.00 0.00 O ATOM 1267 CB LEU A 82 2.455 11.476 7.717 1.00 0.00 C ATOM 1268 CG LEU A 82 1.980 10.460 8.757 1.00 0.00 C ATOM 1269 CD1 LEU A 82 3.142 10.003 9.626 1.00 0.00 C ATOM 1270 CD2 LEU A 82 0.872 11.053 9.615 1.00 0.00 C ATOM 0 H LEU A 82 2.183 9.294 5.619 1.00 0.00 H new ATOM 0 HA LEU A 82 3.721 11.707 5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.110 12.193 8.212 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.588 12.031 7.358 1.00 0.00 H new ATOM 0 HG LEU A 82 1.581 9.592 8.233 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.785 9.281 10.360 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.904 9.538 9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.571 10.862 10.142 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.546 10.316 10.349 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.245 11.938 10.130 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.030 11.330 8.981 1.00 0.00 H new ATOM 1282 N ILE A 83 5.460 10.316 7.146 1.00 0.00 N ATOM 1283 CA ILE A 83 6.532 9.433 7.587 1.00 0.00 C ATOM 1284 C ILE A 83 6.456 9.182 9.089 1.00 0.00 C ATOM 1285 O ILE A 83 6.388 10.121 9.882 1.00 0.00 O ATOM 1286 CB ILE A 83 7.917 10.014 7.245 1.00 0.00 C ATOM 1287 CG1 ILE A 83 8.061 10.189 5.732 1.00 0.00 C ATOM 1288 CG2 ILE A 83 9.018 9.114 7.786 1.00 0.00 C ATOM 1289 CD1 ILE A 83 9.091 11.224 5.338 1.00 0.00 C ATOM 0 H ILE A 83 5.746 11.283 6.992 1.00 0.00 H new ATOM 0 HA ILE A 83 6.401 8.490 7.056 1.00 0.00 H new ATOM 0 HB ILE A 83 8.010 10.992 7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.332 9.231 5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.095 10.472 5.314 1.00 0.00 H new ATOM 0 HG21 ILE A 83 9.990 9.538 7.536 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.924 9.035 8.869 1.00 0.00 H new ATOM 0 HG23 ILE A 83 8.929 8.123 7.341 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.139 11.294 4.251 1.00 0.00 H new ATOM 0 HD12 ILE A 83 8.811 12.192 5.752 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.067 10.932 5.726 1.00 0.00 H new ATOM 1301 N GLU A 84 6.469 7.909 9.473 1.00 0.00 N ATOM 1302 CA GLU A 84 6.402 7.536 10.881 1.00 0.00 C ATOM 1303 C GLU A 84 7.753 7.024 11.373 1.00 0.00 C ATOM 1304 O GLU A 84 8.319 6.090 10.805 1.00 0.00 O ATOM 1305 CB GLU A 84 5.329 6.466 11.097 1.00 0.00 C ATOM 1306 CG GLU A 84 3.964 7.034 11.446 1.00 0.00 C ATOM 1307 CD GLU A 84 3.784 7.247 12.936 1.00 0.00 C ATOM 1308 OE1 GLU A 84 4.592 7.992 13.530 1.00 0.00 O ATOM 1309 OE2 GLU A 84 2.837 6.670 13.509 1.00 0.00 O ATOM 0 H GLU A 84 6.525 7.120 8.829 1.00 0.00 H new ATOM 0 HA GLU A 84 6.139 8.425 11.454 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.242 5.863 10.193 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.650 5.798 11.896 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.826 7.983 10.928 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.190 6.358 11.083 1.00 0.00 H new ATOM 1316 N ASP A 85 8.263 7.644 12.431 1.00 0.00 N ATOM 1317 CA ASP A 85 9.547 7.252 13.000 1.00 0.00 C ATOM 1318 C ASP A 85 10.605 7.109 11.910 1.00 0.00 C ATOM 1319 O ASP A 85 11.525 6.301 12.026 1.00 0.00 O ATOM 1320 CB ASP A 85 9.408 5.938 13.770 1.00 0.00 C ATOM 1321 CG ASP A 85 8.834 6.137 15.158 1.00 0.00 C ATOM 1322 OD1 ASP A 85 8.799 7.295 15.626 1.00 0.00 O ATOM 1323 OD2 ASP A 85 8.418 5.136 15.777 1.00 0.00 O ATOM 0 H ASP A 85 7.807 8.420 12.912 1.00 0.00 H new ATOM 0 HA ASP A 85 9.865 8.035 13.688 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.767 5.258 13.209 1.00 0.00 H new ATOM 0 HB3 ASP A 85 10.385 5.462 13.849 1.00 0.00 H new ATOM 1328 N GLY A 86 10.465 7.898 10.849 1.00 0.00 N ATOM 1329 CA GLY A 86 11.414 7.843 9.753 1.00 0.00 C ATOM 1330 C GLY A 86 11.794 6.422 9.387 1.00 0.00 C ATOM 1331 O GLY A 86 12.894 6.173 8.893 1.00 0.00 O ATOM 0 H GLY A 86 9.711 8.574 10.729 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.986 8.338 8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.312 8.397 10.026 1.00 0.00 H new ATOM 1335 N LYS A 87 10.883 5.486 9.631 1.00 0.00 N ATOM 1336 CA LYS A 87 11.128 4.081 9.324 1.00 0.00 C ATOM 1337 C LYS A 87 9.956 3.481 8.554 1.00 0.00 C ATOM 1338 O LYS A 87 10.129 2.544 7.773 1.00 0.00 O ATOM 1339 CB LYS A 87 11.363 3.290 10.613 1.00 0.00 C ATOM 1340 CG LYS A 87 10.241 3.431 11.627 1.00 0.00 C ATOM 1341 CD LYS A 87 10.099 2.181 12.479 1.00 0.00 C ATOM 1342 CE LYS A 87 10.961 2.257 13.729 1.00 0.00 C ATOM 1343 NZ LYS A 87 10.822 1.039 14.575 1.00 0.00 N ATOM 0 H LYS A 87 9.968 5.675 10.041 1.00 0.00 H new ATOM 0 HA LYS A 87 12.020 4.021 8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.487 2.236 10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.296 3.622 11.068 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.436 4.290 12.269 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.303 3.627 11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.055 2.050 12.763 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.382 1.306 11.893 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.005 2.383 13.443 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.682 3.136 14.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.426 1.130 15.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.830 0.932 14.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.113 0.203 14.030 1.00 0.00 H new ATOM 1357 N VAL A 88 8.765 4.026 8.777 1.00 0.00 N ATOM 1358 CA VAL A 88 7.565 3.546 8.101 1.00 0.00 C ATOM 1359 C VAL A 88 6.866 4.675 7.354 1.00 0.00 C ATOM 1360 O VAL A 88 6.922 5.835 7.765 1.00 0.00 O ATOM 1361 CB VAL A 88 6.575 2.914 9.098 1.00 0.00 C ATOM 1362 CG1 VAL A 88 5.436 2.229 8.358 1.00 0.00 C ATOM 1363 CG2 VAL A 88 7.293 1.933 10.013 1.00 0.00 C ATOM 0 H VAL A 88 8.605 4.801 9.421 1.00 0.00 H new ATOM 0 HA VAL A 88 7.886 2.787 7.387 1.00 0.00 H new ATOM 0 HB VAL A 88 6.151 3.707 9.714 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.747 1.788 9.079 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.905 2.961 7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.838 1.446 7.715 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.578 1.496 10.711 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.746 1.142 9.415 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.070 2.457 10.570 1.00 0.00 H new ATOM 1373 N VAL A 89 6.206 4.329 6.253 1.00 0.00 N ATOM 1374 CA VAL A 89 5.493 5.314 5.448 1.00 0.00 C ATOM 1375 C VAL A 89 3.989 5.062 5.476 1.00 0.00 C ATOM 1376 O VAL A 89 3.479 4.200 4.760 1.00 0.00 O ATOM 1377 CB VAL A 89 5.978 5.300 3.986 1.00 0.00 C ATOM 1378 CG1 VAL A 89 5.019 6.080 3.098 1.00 0.00 C ATOM 1379 CG2 VAL A 89 7.387 5.864 3.887 1.00 0.00 C ATOM 0 H VAL A 89 6.150 3.374 5.898 1.00 0.00 H new ATOM 0 HA VAL A 89 5.703 6.291 5.883 1.00 0.00 H new ATOM 0 HB VAL A 89 5.999 4.267 3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.378 6.059 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.029 5.627 3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.963 7.113 3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.714 5.847 2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.394 6.891 4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.064 5.259 4.490 1.00 0.00 H new ATOM 1389 N THR A 90 3.283 5.821 6.308 1.00 0.00 N ATOM 1390 CA THR A 90 1.838 5.681 6.430 1.00 0.00 C ATOM 1391 C THR A 90 1.112 6.555 5.414 1.00 0.00 C ATOM 1392 O THR A 90 1.502 7.697 5.172 1.00 0.00 O ATOM 1393 CB THR A 90 1.355 6.051 7.846 1.00 0.00 C ATOM 1394 OG1 THR A 90 1.810 7.364 8.190 1.00 0.00 O ATOM 1395 CG2 THR A 90 1.863 5.048 8.870 1.00 0.00 C ATOM 0 H THR A 90 3.689 6.539 6.908 1.00 0.00 H new ATOM 0 HA THR A 90 1.605 4.634 6.236 1.00 0.00 H new ATOM 0 HB THR A 90 0.265 6.031 7.852 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.391 7.706 7.479 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.509 5.330 9.862 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.491 4.054 8.621 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.953 5.040 8.862 1.00 0.00 H new ATOM 1403 N VAL A 91 0.054 6.011 4.820 1.00 0.00 N ATOM 1404 CA VAL A 91 -0.727 6.742 3.830 1.00 0.00 C ATOM 1405 C VAL A 91 -2.215 6.698 4.163 1.00 0.00 C ATOM 1406 O VAL A 91 -2.849 5.645 4.081 1.00 0.00 O ATOM 1407 CB VAL A 91 -0.511 6.175 2.415 1.00 0.00 C ATOM 1408 CG1 VAL A 91 -1.225 7.033 1.381 1.00 0.00 C ATOM 1409 CG2 VAL A 91 0.974 6.075 2.102 1.00 0.00 C ATOM 0 H VAL A 91 -0.282 5.066 5.008 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.383 7.776 3.855 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.936 5.172 2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.061 6.617 0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.293 7.048 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.833 8.049 1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.108 5.672 1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.425 7.066 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.455 5.415 2.825 1.00 0.00 H new ATOM 1419 N HIS A 92 -2.766 7.848 4.537 1.00 0.00 N ATOM 1420 CA HIS A 92 -4.181 7.941 4.881 1.00 0.00 C ATOM 1421 C HIS A 92 -5.039 8.050 3.624 1.00 0.00 C ATOM 1422 O HIS A 92 -4.929 9.014 2.866 1.00 0.00 O ATOM 1423 CB HIS A 92 -4.428 9.147 5.787 1.00 0.00 C ATOM 1424 CG HIS A 92 -5.816 9.700 5.683 1.00 0.00 C ATOM 1425 ND1 HIS A 92 -6.880 9.203 6.407 1.00 0.00 N ATOM 1426 CD2 HIS A 92 -6.312 10.713 4.935 1.00 0.00 C ATOM 1427 CE1 HIS A 92 -7.970 9.887 6.107 1.00 0.00 C ATOM 1428 NE2 HIS A 92 -7.653 10.809 5.217 1.00 0.00 N ATOM 0 H HIS A 92 -2.255 8.728 4.610 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.461 7.032 5.414 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.237 8.860 6.821 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.714 9.931 5.537 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -5.757 11.331 4.245 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -8.954 9.720 6.520 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.299 11.483 4.806 1.00 0.00 H new ATOM 1437 N LEU A 93 -5.893 7.055 3.409 1.00 0.00 N ATOM 1438 CA LEU A 93 -6.771 7.039 2.244 1.00 0.00 C ATOM 1439 C LEU A 93 -8.225 7.245 2.654 1.00 0.00 C ATOM 1440 O LEU A 93 -8.801 6.423 3.366 1.00 0.00 O ATOM 1441 CB LEU A 93 -6.624 5.716 1.490 1.00 0.00 C ATOM 1442 CG LEU A 93 -5.360 5.562 0.643 1.00 0.00 C ATOM 1443 CD1 LEU A 93 -5.155 4.108 0.248 1.00 0.00 C ATOM 1444 CD2 LEU A 93 -5.436 6.446 -0.593 1.00 0.00 C ATOM 0 H LEU A 93 -5.996 6.249 4.026 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.479 7.859 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.652 4.903 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.490 5.594 0.840 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.505 5.878 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.251 4.019 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.055 3.498 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.012 3.764 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.528 6.324 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.300 6.160 -1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.534 7.488 -0.289 1.00 0.00 H new ATOM 1456 N GLU A 94 -8.813 8.346 2.198 1.00 0.00 N ATOM 1457 CA GLU A 94 -10.201 8.659 2.517 1.00 0.00 C ATOM 1458 C GLU A 94 -11.154 7.929 1.574 1.00 0.00 C ATOM 1459 O GLU A 94 -11.060 8.061 0.353 1.00 0.00 O ATOM 1460 CB GLU A 94 -10.439 10.168 2.433 1.00 0.00 C ATOM 1461 CG GLU A 94 -11.745 10.614 3.070 1.00 0.00 C ATOM 1462 CD GLU A 94 -12.903 10.611 2.092 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -13.093 9.588 1.401 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -13.619 11.631 2.017 1.00 0.00 O ATOM 0 H GLU A 94 -8.350 9.036 1.607 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.398 8.324 3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.612 10.686 2.919 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.433 10.471 1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.980 9.956 3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.622 11.617 3.478 1.00 0.00 H new ATOM 1471 N LYS A 95 -12.071 7.159 2.149 1.00 0.00 N ATOM 1472 CA LYS A 95 -13.042 6.408 1.362 1.00 0.00 C ATOM 1473 C LYS A 95 -14.181 7.310 0.898 1.00 0.00 C ATOM 1474 O LYS A 95 -14.992 7.765 1.705 1.00 0.00 O ATOM 1475 CB LYS A 95 -13.602 5.243 2.182 1.00 0.00 C ATOM 1476 CG LYS A 95 -12.618 4.100 2.366 1.00 0.00 C ATOM 1477 CD LYS A 95 -13.276 2.898 3.022 1.00 0.00 C ATOM 1478 CE LYS A 95 -12.248 1.992 3.683 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.875 0.769 4.257 1.00 0.00 N ATOM 0 H LYS A 95 -12.162 7.038 3.158 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.533 6.014 0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.905 5.612 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.499 4.864 1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.211 3.810 1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.780 4.435 2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.996 3.237 3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.833 2.333 2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.493 1.704 2.951 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.734 2.541 4.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.423 0.541 5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.890 0.938 4.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.751 -0.026 3.599 1.00 0.00 H new ATOM 1493 N ILE A 96 -14.235 7.563 -0.405 1.00 0.00 N ATOM 1494 CA ILE A 96 -15.277 8.409 -0.976 1.00 0.00 C ATOM 1495 C ILE A 96 -16.590 8.251 -0.217 1.00 0.00 C ATOM 1496 O ILE A 96 -17.333 9.214 -0.034 1.00 0.00 O ATOM 1497 CB ILE A 96 -15.513 8.085 -2.462 1.00 0.00 C ATOM 1498 CG1 ILE A 96 -14.284 8.463 -3.291 1.00 0.00 C ATOM 1499 CG2 ILE A 96 -16.747 8.814 -2.973 1.00 0.00 C ATOM 1500 CD1 ILE A 96 -13.959 9.940 -3.252 1.00 0.00 C ATOM 0 H ILE A 96 -13.570 7.195 -1.085 1.00 0.00 H new ATOM 0 HA ILE A 96 -14.931 9.439 -0.888 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.680 7.013 -2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.424 7.900 -2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.448 8.163 -4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -16.901 8.575 -4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.619 8.501 -2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.606 9.889 -2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -13.077 10.135 -3.862 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -14.803 10.509 -3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -13.763 10.242 -2.223 1.00 0.00 H new ATOM 1512 N ASN A 97 -16.869 7.028 0.224 1.00 0.00 N ATOM 1513 CA ASN A 97 -18.093 6.744 0.964 1.00 0.00 C ATOM 1514 C ASN A 97 -17.777 6.082 2.303 1.00 0.00 C ATOM 1515 O ASN A 97 -17.153 5.022 2.352 1.00 0.00 O ATOM 1516 CB ASN A 97 -19.013 5.841 0.141 1.00 0.00 C ATOM 1517 CG ASN A 97 -19.581 6.549 -1.074 1.00 0.00 C ATOM 1518 OD1 ASN A 97 -20.630 7.190 -0.999 1.00 0.00 O ATOM 1519 ND2 ASN A 97 -18.890 6.435 -2.202 1.00 0.00 N ATOM 0 H ASN A 97 -16.264 6.219 0.082 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.600 7.689 1.156 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.459 4.959 -0.181 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -19.832 5.491 0.770 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -19.224 6.889 -3.052 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -18.026 5.894 -2.218 1.00 0.00 H new ATOM 1526 N LYS A 98 -18.213 6.715 3.386 1.00 0.00 N ATOM 1527 CA LYS A 98 -17.981 6.189 4.726 1.00 0.00 C ATOM 1528 C LYS A 98 -18.883 4.990 5.004 1.00 0.00 C ATOM 1529 O LYS A 98 -18.636 4.219 5.930 1.00 0.00 O ATOM 1530 CB LYS A 98 -18.223 7.278 5.774 1.00 0.00 C ATOM 1531 CG LYS A 98 -17.481 8.572 5.489 1.00 0.00 C ATOM 1532 CD LYS A 98 -16.018 8.474 5.888 1.00 0.00 C ATOM 1533 CE LYS A 98 -15.318 9.820 5.772 1.00 0.00 C ATOM 1534 NZ LYS A 98 -14.185 9.940 6.731 1.00 0.00 N ATOM 0 H LYS A 98 -18.730 7.594 3.362 1.00 0.00 H new ATOM 0 HA LYS A 98 -16.943 5.862 4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.291 7.486 5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -17.920 6.903 6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.555 8.809 4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.953 9.391 6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.943 8.110 6.913 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.515 7.745 5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.948 9.951 4.755 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.036 10.620 5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.555 10.711 6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.555 10.146 7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.653 9.047 6.753 1.00 0.00 H new ATOM 1548 N MET A 99 -19.927 4.841 4.196 1.00 0.00 N ATOM 1549 CA MET A 99 -20.863 3.735 4.354 1.00 0.00 C ATOM 1550 C MET A 99 -20.523 2.594 3.401 1.00 0.00 C ATOM 1551 O MET A 99 -21.409 1.877 2.936 1.00 0.00 O ATOM 1552 CB MET A 99 -22.296 4.212 4.107 1.00 0.00 C ATOM 1553 CG MET A 99 -22.956 4.815 5.336 1.00 0.00 C ATOM 1554 SD MET A 99 -23.729 3.573 6.389 1.00 0.00 S ATOM 1555 CE MET A 99 -22.754 3.741 7.882 1.00 0.00 C ATOM 0 H MET A 99 -20.146 5.472 3.425 1.00 0.00 H new ATOM 0 HA MET A 99 -20.782 3.367 5.377 1.00 0.00 H new ATOM 0 HB2 MET A 99 -22.291 4.953 3.307 1.00 0.00 H new ATOM 0 HB3 MET A 99 -22.895 3.371 3.759 1.00 0.00 H new ATOM 0 HG2 MET A 99 -22.210 5.361 5.913 1.00 0.00 H new ATOM 0 HG3 MET A 99 -23.708 5.538 5.022 1.00 0.00 H new ATOM 0 HE1 MET A 99 -23.112 3.036 8.632 1.00 0.00 H new ATOM 0 HE2 MET A 99 -21.708 3.533 7.659 1.00 0.00 H new ATOM 0 HE3 MET A 99 -22.848 4.757 8.266 1.00 0.00 H new ATOM 1565 N GLU A 100 -19.235 2.431 3.115 1.00 0.00 N ATOM 1566 CA GLU A 100 -18.780 1.378 2.216 1.00 0.00 C ATOM 1567 C GLU A 100 -17.548 0.675 2.780 1.00 0.00 C ATOM 1568 O GLU A 100 -16.679 1.310 3.378 1.00 0.00 O ATOM 1569 CB GLU A 100 -18.463 1.956 0.835 1.00 0.00 C ATOM 1570 CG GLU A 100 -18.004 0.914 -0.171 1.00 0.00 C ATOM 1571 CD GLU A 100 -19.158 0.281 -0.924 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -19.841 1.004 -1.678 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -19.376 -0.937 -0.759 1.00 0.00 O ATOM 0 H GLU A 100 -18.489 3.015 3.493 1.00 0.00 H new ATOM 0 HA GLU A 100 -19.583 0.647 2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -19.350 2.456 0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.688 2.716 0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -17.322 1.378 -0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -17.443 0.136 0.347 1.00 0.00 H new ATOM 1580 N TRP A 101 -17.482 -0.637 2.585 1.00 0.00 N ATOM 1581 CA TRP A 101 -16.357 -1.426 3.075 1.00 0.00 C ATOM 1582 C TRP A 101 -15.377 -1.734 1.949 1.00 0.00 C ATOM 1583 O TRP A 101 -15.636 -1.423 0.786 1.00 0.00 O ATOM 1584 CB TRP A 101 -16.856 -2.727 3.705 1.00 0.00 C ATOM 1585 CG TRP A 101 -17.251 -2.578 5.143 1.00 0.00 C ATOM 1586 CD1 TRP A 101 -18.521 -2.528 5.643 1.00 0.00 C ATOM 1587 CD2 TRP A 101 -16.370 -2.458 6.265 1.00 0.00 C ATOM 1588 NE1 TRP A 101 -18.482 -2.384 7.009 1.00 0.00 N ATOM 1589 CE2 TRP A 101 -17.175 -2.339 7.415 1.00 0.00 C ATOM 1590 CE3 TRP A 101 -14.981 -2.441 6.411 1.00 0.00 C ATOM 1591 CZ2 TRP A 101 -16.634 -2.205 8.691 1.00 0.00 C ATOM 1592 CZ3 TRP A 101 -14.445 -2.307 7.678 1.00 0.00 C ATOM 1593 CH2 TRP A 101 -15.270 -2.191 8.804 1.00 0.00 C ATOM 0 H TRP A 101 -18.193 -1.177 2.092 1.00 0.00 H new ATOM 0 HA TRP A 101 -15.837 -0.840 3.833 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -17.711 -3.093 3.137 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -16.075 -3.483 3.627 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -19.423 -2.592 5.052 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -19.295 -2.321 7.622 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -14.337 -2.531 5.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -17.268 -2.115 9.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -13.372 -2.291 7.802 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -14.821 -2.088 9.781 1.00 0.00 H new ATOM 1604 N TRP A 102 -14.253 -2.348 2.300 1.00 0.00 N ATOM 1605 CA TRP A 102 -13.235 -2.699 1.317 1.00 0.00 C ATOM 1606 C TRP A 102 -12.892 -4.183 1.394 1.00 0.00 C ATOM 1607 O TRP A 102 -12.944 -4.786 2.465 1.00 0.00 O ATOM 1608 CB TRP A 102 -11.975 -1.860 1.536 1.00 0.00 C ATOM 1609 CG TRP A 102 -12.021 -0.529 0.847 1.00 0.00 C ATOM 1610 CD1 TRP A 102 -13.083 0.327 0.789 1.00 0.00 C ATOM 1611 CD2 TRP A 102 -10.959 0.096 0.118 1.00 0.00 C ATOM 1612 NE1 TRP A 102 -12.745 1.447 0.067 1.00 0.00 N ATOM 1613 CE2 TRP A 102 -11.447 1.329 -0.354 1.00 0.00 C ATOM 1614 CE3 TRP A 102 -9.642 -0.266 -0.180 1.00 0.00 C ATOM 1615 CZ2 TRP A 102 -10.665 2.200 -1.109 1.00 0.00 C ATOM 1616 CZ3 TRP A 102 -8.867 0.599 -0.928 1.00 0.00 C ATOM 1617 CH2 TRP A 102 -9.379 1.820 -1.385 1.00 0.00 C ATOM 0 H TRP A 102 -14.024 -2.613 3.258 1.00 0.00 H new ATOM 0 HA TRP A 102 -13.636 -2.489 0.325 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -11.833 -1.703 2.605 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -11.109 -2.417 1.178 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -14.047 0.150 1.243 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -13.361 2.237 -0.124 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.238 -1.205 0.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -11.059 3.141 -1.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.848 0.329 -1.165 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -8.747 2.475 -1.967 1.00 0.00 H new ATOM 1628 N ASN A 103 -12.540 -4.765 0.252 1.00 0.00 N ATOM 1629 CA ASN A 103 -12.189 -6.179 0.192 1.00 0.00 C ATOM 1630 C ASN A 103 -10.677 -6.367 0.261 1.00 0.00 C ATOM 1631 O ASN A 103 -10.190 -7.444 0.606 1.00 0.00 O ATOM 1632 CB ASN A 103 -12.734 -6.807 -1.093 1.00 0.00 C ATOM 1633 CG ASN A 103 -14.241 -6.973 -1.062 1.00 0.00 C ATOM 1634 OD1 ASN A 103 -14.960 -6.118 -0.545 1.00 0.00 O ATOM 1635 ND2 ASN A 103 -14.725 -8.078 -1.615 1.00 0.00 N ATOM 0 H ASN A 103 -12.490 -4.279 -0.644 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.639 -6.676 1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -12.457 -6.185 -1.944 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -12.267 -7.780 -1.245 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -15.731 -8.246 -1.623 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -14.091 -8.759 -2.032 1.00 0.00 H new ATOM 1642 N ARG A 104 -9.939 -5.312 -0.068 1.00 0.00 N ATOM 1643 CA ARG A 104 -8.482 -5.361 -0.043 1.00 0.00 C ATOM 1644 C ARG A 104 -7.887 -3.987 -0.339 1.00 0.00 C ATOM 1645 O ARG A 104 -8.580 -3.089 -0.819 1.00 0.00 O ATOM 1646 CB ARG A 104 -7.967 -6.381 -1.060 1.00 0.00 C ATOM 1647 CG ARG A 104 -8.296 -6.025 -2.500 1.00 0.00 C ATOM 1648 CD ARG A 104 -8.109 -7.216 -3.426 1.00 0.00 C ATOM 1649 NE ARG A 104 -8.882 -7.080 -4.658 1.00 0.00 N ATOM 1650 CZ ARG A 104 -10.210 -7.097 -4.698 1.00 0.00 C ATOM 1651 NH1 ARG A 104 -10.908 -7.244 -3.580 1.00 0.00 N ATOM 1652 NH2 ARG A 104 -10.841 -6.967 -5.857 1.00 0.00 N ATOM 0 H ARG A 104 -10.326 -4.413 -0.355 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.171 -5.666 0.956 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.886 -6.472 -0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.393 -7.358 -0.830 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.326 -5.673 -2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.658 -5.204 -2.828 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.052 -7.322 -3.671 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.409 -8.127 -2.909 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.375 -6.966 -5.535 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.425 -7.344 -2.687 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.927 -7.257 -3.613 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.307 -6.854 -6.719 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.860 -6.980 -5.887 1.00 0.00 H new ATOM 1666 N LEU A 105 -6.600 -3.831 -0.049 1.00 0.00 N ATOM 1667 CA LEU A 105 -5.911 -2.567 -0.283 1.00 0.00 C ATOM 1668 C LEU A 105 -5.794 -2.279 -1.777 1.00 0.00 C ATOM 1669 O LEU A 105 -6.248 -1.239 -2.256 1.00 0.00 O ATOM 1670 CB LEU A 105 -4.519 -2.596 0.352 1.00 0.00 C ATOM 1671 CG LEU A 105 -3.616 -1.402 0.045 1.00 0.00 C ATOM 1672 CD1 LEU A 105 -4.199 -0.126 0.633 1.00 0.00 C ATOM 1673 CD2 LEU A 105 -2.211 -1.644 0.578 1.00 0.00 C ATOM 0 H LEU A 105 -6.013 -4.564 0.349 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.497 -1.772 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.636 -2.669 1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.011 -3.503 0.025 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.557 -1.285 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.542 0.713 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.184 0.056 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.289 -0.232 1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.582 -0.783 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.251 -1.788 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.792 -2.534 0.108 1.00 0.00 H new ATOM 1685 N VAL A 106 -5.186 -3.207 -2.508 1.00 0.00 N ATOM 1686 CA VAL A 106 -5.013 -3.055 -3.947 1.00 0.00 C ATOM 1687 C VAL A 106 -5.312 -4.359 -4.678 1.00 0.00 C ATOM 1688 O VAL A 106 -5.137 -5.447 -4.128 1.00 0.00 O ATOM 1689 CB VAL A 106 -3.583 -2.600 -4.296 1.00 0.00 C ATOM 1690 CG1 VAL A 106 -3.362 -1.158 -3.867 1.00 0.00 C ATOM 1691 CG2 VAL A 106 -2.559 -3.521 -3.648 1.00 0.00 C ATOM 0 H VAL A 106 -4.805 -4.073 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.719 -2.290 -4.271 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.456 -2.655 -5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.347 -0.854 -4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.074 -0.512 -4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.507 -1.072 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.554 -3.186 -3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.684 -3.499 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.705 -4.539 -4.009 1.00 0.00 H new ATOM 1701 N THR A 107 -5.764 -4.244 -5.923 1.00 0.00 N ATOM 1702 CA THR A 107 -6.088 -5.413 -6.730 1.00 0.00 C ATOM 1703 C THR A 107 -4.987 -6.463 -6.643 1.00 0.00 C ATOM 1704 O THR A 107 -5.262 -7.661 -6.567 1.00 0.00 O ATOM 1705 CB THR A 107 -6.306 -5.034 -8.207 1.00 0.00 C ATOM 1706 OG1 THR A 107 -5.198 -4.260 -8.682 1.00 0.00 O ATOM 1707 CG2 THR A 107 -7.594 -4.243 -8.378 1.00 0.00 C ATOM 0 H THR A 107 -5.914 -3.352 -6.394 1.00 0.00 H new ATOM 0 HA THR A 107 -7.013 -5.827 -6.329 1.00 0.00 H new ATOM 0 HB THR A 107 -6.383 -5.953 -8.788 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.343 -4.024 -9.622 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.727 -3.987 -9.429 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.438 -4.845 -8.042 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.541 -3.330 -7.786 1.00 0.00 H new ATOM 1715 N SER A 108 -3.738 -6.007 -6.656 1.00 0.00 N ATOM 1716 CA SER A 108 -2.595 -6.909 -6.582 1.00 0.00 C ATOM 1717 C SER A 108 -2.618 -7.711 -5.284 1.00 0.00 C ATOM 1718 O SER A 108 -2.169 -8.856 -5.241 1.00 0.00 O ATOM 1719 CB SER A 108 -1.288 -6.119 -6.684 1.00 0.00 C ATOM 1720 OG SER A 108 -1.195 -5.445 -7.927 1.00 0.00 O ATOM 0 H SER A 108 -3.493 -5.019 -6.717 1.00 0.00 H new ATOM 0 HA SER A 108 -2.658 -7.604 -7.419 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.232 -5.396 -5.870 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.441 -6.795 -6.569 1.00 0.00 H new ATOM 0 HG SER A 108 -0.352 -4.946 -7.967 1.00 0.00 H new ATOM 1726 N ASP A 109 -3.144 -7.100 -4.228 1.00 0.00 N ATOM 1727 CA ASP A 109 -3.227 -7.755 -2.928 1.00 0.00 C ATOM 1728 C ASP A 109 -4.374 -8.761 -2.900 1.00 0.00 C ATOM 1729 O ASP A 109 -5.289 -8.719 -3.722 1.00 0.00 O ATOM 1730 CB ASP A 109 -3.414 -6.718 -1.821 1.00 0.00 C ATOM 1731 CG ASP A 109 -2.095 -6.229 -1.256 1.00 0.00 C ATOM 1732 OD1 ASP A 109 -1.129 -7.021 -1.235 1.00 0.00 O ATOM 1733 OD2 ASP A 109 -2.027 -5.055 -0.834 1.00 0.00 O ATOM 0 H ASP A 109 -3.519 -6.152 -4.247 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.293 -8.290 -2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.975 -5.869 -2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.011 -7.151 -1.019 1.00 0.00 H new ATOM 1738 N PRO A 110 -4.325 -9.688 -1.931 1.00 0.00 N ATOM 1739 CA PRO A 110 -5.351 -10.722 -1.772 1.00 0.00 C ATOM 1740 C PRO A 110 -6.681 -10.150 -1.292 1.00 0.00 C ATOM 1741 O PRO A 110 -6.760 -8.987 -0.899 1.00 0.00 O ATOM 1742 CB PRO A 110 -4.756 -11.653 -0.713 1.00 0.00 C ATOM 1743 CG PRO A 110 -3.819 -10.793 0.063 1.00 0.00 C ATOM 1744 CD PRO A 110 -3.263 -9.797 -0.917 1.00 0.00 C ATOM 0 HA PRO A 110 -5.579 -11.218 -2.715 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.532 -12.071 -0.072 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.235 -12.493 -1.172 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.337 -10.290 0.880 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.022 -11.388 0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.060 -8.837 -0.443 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.325 -10.142 -1.353 1.00 0.00 H new ATOM 1752 N GLU A 111 -7.722 -10.975 -1.327 1.00 0.00 N ATOM 1753 CA GLU A 111 -9.048 -10.549 -0.896 1.00 0.00 C ATOM 1754 C GLU A 111 -9.390 -11.135 0.471 1.00 0.00 C ATOM 1755 O GLU A 111 -8.986 -12.252 0.798 1.00 0.00 O ATOM 1756 CB GLU A 111 -10.103 -10.972 -1.921 1.00 0.00 C ATOM 1757 CG GLU A 111 -9.819 -10.471 -3.327 1.00 0.00 C ATOM 1758 CD GLU A 111 -10.460 -11.336 -4.395 1.00 0.00 C ATOM 1759 OE1 GLU A 111 -11.706 -11.402 -4.436 1.00 0.00 O ATOM 1760 OE2 GLU A 111 -9.715 -11.946 -5.190 1.00 0.00 O ATOM 0 H GLU A 111 -7.673 -11.942 -1.649 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.044 -9.462 -0.817 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.166 -12.060 -1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.077 -10.601 -1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.184 -9.449 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.741 -10.441 -3.487 1.00 0.00 H new ATOM 1767 N ILE A 112 -10.135 -10.374 1.265 1.00 0.00 N ATOM 1768 CA ILE A 112 -10.531 -10.817 2.596 1.00 0.00 C ATOM 1769 C ILE A 112 -12.045 -10.766 2.765 1.00 0.00 C ATOM 1770 O ILE A 112 -12.688 -9.784 2.398 1.00 0.00 O ATOM 1771 CB ILE A 112 -9.875 -9.958 3.694 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -10.024 -8.471 3.366 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -8.407 -10.327 3.849 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -9.907 -7.571 4.576 1.00 0.00 C ATOM 0 H ILE A 112 -10.477 -9.447 1.010 1.00 0.00 H new ATOM 0 HA ILE A 112 -10.190 -11.847 2.699 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.381 -10.155 4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -9.262 -8.189 2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -10.992 -8.307 2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.957 -9.712 4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.323 -11.379 4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.887 -10.156 2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -10.023 -6.532 4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.685 -7.826 5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -8.929 -7.706 5.037 1.00 0.00 H new ATOM 1786 N ASN A 113 -12.609 -11.833 3.324 1.00 0.00 N ATOM 1787 CA ASN A 113 -14.049 -11.910 3.542 1.00 0.00 C ATOM 1788 C ASN A 113 -14.540 -10.716 4.356 1.00 0.00 C ATOM 1789 O ASN A 113 -14.080 -10.481 5.474 1.00 0.00 O ATOM 1790 CB ASN A 113 -14.408 -13.213 4.259 1.00 0.00 C ATOM 1791 CG ASN A 113 -15.872 -13.575 4.102 1.00 0.00 C ATOM 1792 OD1 ASN A 113 -16.312 -13.974 3.024 1.00 0.00 O ATOM 1793 ND2 ASN A 113 -16.634 -13.436 5.181 1.00 0.00 N ATOM 0 H ASN A 113 -12.091 -12.655 3.634 1.00 0.00 H new ATOM 0 HA ASN A 113 -14.541 -11.891 2.569 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -13.792 -14.022 3.866 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -14.172 -13.118 5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -17.627 -13.664 5.137 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -16.226 -13.102 6.054 1.00 0.00 H new ATOM 1800 N THR A 114 -15.478 -9.965 3.788 1.00 0.00 N ATOM 1801 CA THR A 114 -16.032 -8.796 4.460 1.00 0.00 C ATOM 1802 C THR A 114 -17.336 -9.138 5.172 1.00 0.00 C ATOM 1803 O THR A 114 -18.027 -10.087 4.802 1.00 0.00 O ATOM 1804 CB THR A 114 -16.289 -7.647 3.467 1.00 0.00 C ATOM 1805 OG1 THR A 114 -17.198 -8.074 2.447 1.00 0.00 O ATOM 1806 CG2 THR A 114 -14.988 -7.182 2.830 1.00 0.00 C ATOM 0 H THR A 114 -15.870 -10.145 2.864 1.00 0.00 H new ATOM 0 HA THR A 114 -15.294 -8.474 5.194 1.00 0.00 H new ATOM 0 HB THR A 114 -16.726 -6.813 4.016 1.00 0.00 H new ATOM 0 HG1 THR A 114 -17.357 -7.337 1.821 1.00 0.00 H new ATOM 0 HG21 THR A 114 -15.194 -6.370 2.132 1.00 0.00 H new ATOM 0 HG22 THR A 114 -14.308 -6.830 3.606 1.00 0.00 H new ATOM 0 HG23 THR A 114 -14.528 -8.012 2.294 1.00 0.00 H new ATOM 1814 N LYS A 115 -17.668 -8.357 6.195 1.00 0.00 N ATOM 1815 CA LYS A 115 -18.891 -8.575 6.959 1.00 0.00 C ATOM 1816 C LYS A 115 -19.641 -7.264 7.170 1.00 0.00 C ATOM 1817 O LYS A 115 -19.032 -6.221 7.406 1.00 0.00 O ATOM 1818 CB LYS A 115 -18.565 -9.212 8.311 1.00 0.00 C ATOM 1819 CG LYS A 115 -19.671 -10.104 8.846 1.00 0.00 C ATOM 1820 CD LYS A 115 -19.599 -10.237 10.358 1.00 0.00 C ATOM 1821 CE LYS A 115 -20.967 -10.523 10.958 1.00 0.00 C ATOM 1822 NZ LYS A 115 -21.891 -9.365 10.810 1.00 0.00 N ATOM 0 H LYS A 115 -17.107 -7.567 6.514 1.00 0.00 H new ATOM 0 HA LYS A 115 -19.530 -9.251 6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -17.651 -9.798 8.216 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.364 -8.423 9.036 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -20.640 -9.694 8.562 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -19.597 -11.091 8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -18.910 -11.040 10.621 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -19.197 -9.319 10.786 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -21.400 -11.398 10.473 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -20.856 -10.766 12.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -22.637 -9.422 11.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -21.359 -8.479 10.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -22.323 -9.384 9.864 1.00 0.00 H new ATOM 1836 N SER A 116 -20.966 -7.326 7.084 1.00 0.00 N ATOM 1837 CA SER A 116 -21.799 -6.142 7.264 1.00 0.00 C ATOM 1838 C SER A 116 -23.012 -6.459 8.134 1.00 0.00 C ATOM 1839 O SER A 116 -23.796 -7.355 7.823 1.00 0.00 O ATOM 1840 CB SER A 116 -22.257 -5.605 5.907 1.00 0.00 C ATOM 1841 OG SER A 116 -23.124 -4.494 6.064 1.00 0.00 O ATOM 0 H SER A 116 -21.485 -8.182 6.891 1.00 0.00 H new ATOM 0 HA SER A 116 -21.203 -5.380 7.766 1.00 0.00 H new ATOM 0 HB2 SER A 116 -21.389 -5.312 5.316 1.00 0.00 H new ATOM 0 HB3 SER A 116 -22.768 -6.393 5.354 1.00 0.00 H new ATOM 0 HG SER A 116 -23.401 -4.168 5.182 1.00 0.00 H new ATOM 1847 N GLY A 117 -23.159 -5.715 9.226 1.00 0.00 N ATOM 1848 CA GLY A 117 -24.277 -5.931 10.125 1.00 0.00 C ATOM 1849 C GLY A 117 -25.210 -4.738 10.188 1.00 0.00 C ATOM 1850 O GLY A 117 -25.179 -3.948 11.131 1.00 0.00 O ATOM 0 H GLY A 117 -22.524 -4.967 9.504 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -24.836 -6.809 9.800 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -23.899 -6.146 11.125 1.00 0.00 H new ATOM 1854 N PRO A 118 -26.062 -4.593 9.162 1.00 0.00 N ATOM 1855 CA PRO A 118 -27.022 -3.489 9.080 1.00 0.00 C ATOM 1856 C PRO A 118 -28.135 -3.611 10.115 1.00 0.00 C ATOM 1857 O PRO A 118 -28.976 -2.721 10.244 1.00 0.00 O ATOM 1858 CB PRO A 118 -27.591 -3.618 7.665 1.00 0.00 C ATOM 1859 CG PRO A 118 -27.415 -5.055 7.315 1.00 0.00 C ATOM 1860 CD PRO A 118 -26.153 -5.497 8.003 1.00 0.00 C ATOM 0 HA PRO A 118 -26.553 -2.525 9.279 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -28.641 -3.329 7.633 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -27.061 -2.972 6.965 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -28.269 -5.645 7.648 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -27.338 -5.187 6.236 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -26.208 -6.541 8.311 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -25.285 -5.402 7.350 1.00 0.00 H new ATOM 1868 N SER A 119 -28.134 -4.718 10.851 1.00 0.00 N ATOM 1869 CA SER A 119 -29.147 -4.958 11.873 1.00 0.00 C ATOM 1870 C SER A 119 -29.288 -3.748 12.792 1.00 0.00 C ATOM 1871 O SER A 119 -28.431 -3.494 13.638 1.00 0.00 O ATOM 1872 CB SER A 119 -28.789 -6.198 12.694 1.00 0.00 C ATOM 1873 OG SER A 119 -28.835 -7.368 11.897 1.00 0.00 O ATOM 0 H SER A 119 -27.443 -5.463 10.759 1.00 0.00 H new ATOM 0 HA SER A 119 -30.101 -5.126 11.373 1.00 0.00 H new ATOM 0 HB2 SER A 119 -27.791 -6.082 13.118 1.00 0.00 H new ATOM 0 HB3 SER A 119 -29.481 -6.296 13.530 1.00 0.00 H new ATOM 0 HG SER A 119 -28.601 -8.146 12.445 1.00 0.00 H new ATOM 1879 N SER A 120 -30.376 -3.004 12.617 1.00 0.00 N ATOM 1880 CA SER A 120 -30.629 -1.819 13.428 1.00 0.00 C ATOM 1881 C SER A 120 -31.979 -1.920 14.132 1.00 0.00 C ATOM 1882 O SER A 120 -32.777 -2.810 13.843 1.00 0.00 O ATOM 1883 CB SER A 120 -30.589 -0.562 12.556 1.00 0.00 C ATOM 1884 OG SER A 120 -31.633 -0.572 11.598 1.00 0.00 O ATOM 0 H SER A 120 -31.096 -3.201 11.921 1.00 0.00 H new ATOM 0 HA SER A 120 -29.848 -1.753 14.186 1.00 0.00 H new ATOM 0 HB2 SER A 120 -30.677 0.324 13.185 1.00 0.00 H new ATOM 0 HB3 SER A 120 -29.626 -0.498 12.049 1.00 0.00 H new ATOM 0 HG SER A 120 -31.586 0.242 11.055 1.00 0.00 H new ATOM 1890 N GLY A 121 -32.226 -1.000 15.060 1.00 0.00 N ATOM 1891 CA GLY A 121 -33.479 -1.003 15.792 1.00 0.00 C ATOM 1892 C GLY A 121 -33.794 -2.357 16.396 1.00 0.00 C ATOM 1893 O GLY A 121 -34.862 -2.551 16.977 1.00 0.00 O ATOM 0 H GLY A 121 -31.581 -0.253 15.318 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -33.435 -0.256 16.585 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -34.288 -0.710 15.123 1.00 0.00 H new TER 1897 GLY A 121