USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 ASN : amide:sc= 0.93 K(o=1.5,f=-8.6!) USER MOD Set 1.2: A 117 HIS : no HE2:sc= 0.609 K(o=1.5,f=-14!) USER MOD Set 2.1: A 94 ASN : amide:sc= -2.41! K(o=-0.8!,f=-1.8) USER MOD Set 2.2: A 96 THR OG1 : rot -102:sc= 1.61 USER MOD Set 3.1: A 92 LYS NZ :NH3+ 160:sc= 0.779 (180deg=-0.046) USER MOD Set 3.2: A 93 TYR OH : rot 166:sc= 0.834 USER MOD Set 4.1: A 62 THR OG1 : rot 63:sc= 0.458 USER MOD Set 4.2: A 73 GLN : amide:sc= 1.55 K(o=2,f=-3.8!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.379 K(o=-0.38,f=-1.2) USER MOD Single : A 48 THR OG1 : rot -59:sc= 0.245 USER MOD Single : A 49 THR OG1 : rot 167:sc= -0.422! USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -87:sc= 1.19 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.49) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.308 USER MOD Single : A 66 GLN : amide:sc= 0.632 K(o=0.63,f=-0.21) USER MOD Single : A 69 THR OG1 : rot -90:sc= -0.0615 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.19) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -1.49! C(o=-1.5!,f=-12!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 1.11 K(o=1.1,f=-0.25) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0383 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 15:sc= -1.38 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 0.654 13.015 -4.419 1.00 0.00 N ATOM 2 CA TYR A 44 -0.523 12.517 -3.646 1.00 0.00 C ATOM 3 C TYR A 44 -1.399 11.596 -4.500 1.00 0.00 C ATOM 4 O TYR A 44 -1.207 11.497 -5.711 1.00 0.00 O ATOM 5 CB TYR A 44 -1.339 13.723 -3.162 1.00 0.00 C ATOM 6 CG TYR A 44 -0.791 14.360 -1.906 1.00 0.00 C ATOM 7 CD1 TYR A 44 -0.994 13.777 -0.663 1.00 0.00 C ATOM 8 CD2 TYR A 44 -0.069 15.546 -1.964 1.00 0.00 C ATOM 9 CE1 TYR A 44 -0.492 14.354 0.488 1.00 0.00 C ATOM 10 CE2 TYR A 44 0.436 16.130 -0.818 1.00 0.00 C ATOM 11 CZ TYR A 44 0.222 15.530 0.404 1.00 0.00 C ATOM 12 OH TYR A 44 0.722 16.108 1.545 1.00 0.00 O ATOM 0 HA TYR A 44 -0.169 11.936 -2.794 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.371 14.471 -3.954 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -2.366 13.407 -2.980 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.554 12.856 -0.594 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.100 16.019 -2.920 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.658 13.886 1.447 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.995 17.052 -0.880 1.00 0.00 H new ATOM 0 HH TYR A 44 1.201 16.931 1.312 1.00 0.00 H new ATOM 22 N CYS A 45 -2.365 10.935 -3.860 1.00 0.00 N ATOM 23 CA CYS A 45 -3.279 10.030 -4.562 1.00 0.00 C ATOM 24 C CYS A 45 -4.725 10.516 -4.462 1.00 0.00 C ATOM 25 O CYS A 45 -5.034 11.423 -3.688 1.00 0.00 O ATOM 26 CB CYS A 45 -3.180 8.612 -3.989 1.00 0.00 C ATOM 27 SG CYS A 45 -1.786 7.634 -4.636 1.00 0.00 S ATOM 0 H CYS A 45 -2.535 11.009 -2.857 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.985 10.018 -5.611 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.090 8.677 -2.905 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.109 8.082 -4.201 1.00 0.00 H new ATOM 32 N HIS A 46 -5.604 9.900 -5.246 1.00 0.00 N ATOM 33 CA HIS A 46 -7.015 10.245 -5.255 1.00 0.00 C ATOM 34 C HIS A 46 -7.816 9.284 -4.375 1.00 0.00 C ATOM 35 O HIS A 46 -7.256 8.373 -3.766 1.00 0.00 O ATOM 36 CB HIS A 46 -7.552 10.226 -6.692 1.00 0.00 C ATOM 37 CG HIS A 46 -6.742 9.419 -7.661 1.00 0.00 C ATOM 38 ND1 HIS A 46 -6.797 8.042 -7.723 1.00 0.00 N ATOM 39 CD2 HIS A 46 -5.856 9.800 -8.611 1.00 0.00 C ATOM 40 CE1 HIS A 46 -5.980 7.612 -8.668 1.00 0.00 C ATOM 41 NE2 HIS A 46 -5.397 8.658 -9.225 1.00 0.00 N ATOM 0 H HIS A 46 -5.356 9.150 -5.891 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.127 11.250 -4.849 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -8.569 9.835 -6.678 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.610 11.252 -7.056 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.564 10.813 -8.844 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.816 6.579 -8.939 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -4.718 8.624 -9.985 1.00 0.00 H new ATOM 50 N ARG A 47 -9.126 9.504 -4.306 1.00 0.00 N ATOM 51 CA ARG A 47 -10.008 8.667 -3.492 1.00 0.00 C ATOM 52 C ARG A 47 -11.294 8.311 -4.238 1.00 0.00 C ATOM 53 O ARG A 47 -11.689 7.147 -4.273 1.00 0.00 O ATOM 54 CB ARG A 47 -10.336 9.395 -2.188 1.00 0.00 C ATOM 55 CG ARG A 47 -11.627 8.940 -1.516 1.00 0.00 C ATOM 56 CD ARG A 47 -12.064 9.914 -0.434 1.00 0.00 C ATOM 57 NE ARG A 47 -11.656 11.290 -0.741 1.00 0.00 N ATOM 58 CZ ARG A 47 -12.469 12.240 -1.188 1.00 0.00 C ATOM 59 NH1 ARG A 47 -13.733 11.980 -1.474 1.00 0.00 N ATOM 60 NH2 ARG A 47 -12.002 13.456 -1.381 1.00 0.00 N ATOM 0 H ARG A 47 -9.603 10.256 -4.804 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.489 7.734 -3.273 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.510 9.255 -1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -10.404 10.464 -2.391 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -12.415 8.847 -2.264 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.483 7.951 -1.081 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -13.148 9.872 -0.324 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.635 9.612 0.521 1.00 0.00 H new ATOM 0 HE ARG A 47 -10.676 11.535 -0.601 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.100 11.036 -1.352 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.342 12.723 -1.816 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -11.022 13.663 -1.187 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -12.620 14.191 -1.724 1.00 0.00 H new ATOM 74 N THR A 48 -11.945 9.328 -4.809 1.00 0.00 N ATOM 75 CA THR A 48 -13.203 9.154 -5.551 1.00 0.00 C ATOM 76 C THR A 48 -14.203 8.277 -4.782 1.00 0.00 C ATOM 77 O THR A 48 -14.546 7.174 -5.212 1.00 0.00 O ATOM 78 CB THR A 48 -12.943 8.585 -6.959 1.00 0.00 C ATOM 79 OG1 THR A 48 -14.162 8.381 -7.646 1.00 0.00 O ATOM 80 CG2 THR A 48 -12.195 7.268 -6.976 1.00 0.00 C ATOM 0 H THR A 48 -11.619 10.294 -4.772 1.00 0.00 H new ATOM 0 HA THR A 48 -13.651 10.141 -5.661 1.00 0.00 H new ATOM 0 HB THR A 48 -12.318 9.335 -7.444 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.725 7.761 -7.137 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.056 6.942 -8.007 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.222 7.396 -6.502 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.768 6.517 -6.432 1.00 0.00 H new ATOM 88 N THR A 49 -14.673 8.792 -3.645 1.00 0.00 N ATOM 89 CA THR A 49 -15.646 8.078 -2.804 1.00 0.00 C ATOM 90 C THR A 49 -16.963 7.854 -3.550 1.00 0.00 C ATOM 91 O THR A 49 -17.133 8.307 -4.684 1.00 0.00 O ATOM 92 CB THR A 49 -15.927 8.868 -1.517 1.00 0.00 C ATOM 93 OG1 THR A 49 -15.386 10.180 -1.588 1.00 0.00 O ATOM 94 CG2 THR A 49 -15.376 8.216 -0.268 1.00 0.00 C ATOM 0 H THR A 49 -14.397 9.704 -3.281 1.00 0.00 H new ATOM 0 HA THR A 49 -15.212 7.110 -2.553 1.00 0.00 H new ATOM 0 HB THR A 49 -17.014 8.894 -1.444 1.00 0.00 H new ATOM 0 HG1 THR A 49 -15.751 10.724 -0.860 1.00 0.00 H new ATOM 0 HG21 THR A 49 -15.614 8.832 0.599 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.822 7.229 -0.146 1.00 0.00 H new ATOM 0 HG23 THR A 49 -14.294 8.116 -0.357 1.00 0.00 H new ATOM 102 N ILE A 50 -17.899 7.163 -2.898 1.00 0.00 N ATOM 103 CA ILE A 50 -19.207 6.893 -3.497 1.00 0.00 C ATOM 104 C ILE A 50 -19.865 8.184 -3.990 1.00 0.00 C ATOM 105 O ILE A 50 -19.474 9.287 -3.596 1.00 0.00 O ATOM 106 CB ILE A 50 -20.149 6.174 -2.502 1.00 0.00 C ATOM 107 CG1 ILE A 50 -21.303 5.482 -3.232 1.00 0.00 C ATOM 108 CG2 ILE A 50 -20.687 7.146 -1.463 1.00 0.00 C ATOM 109 CD1 ILE A 50 -20.847 4.492 -4.285 1.00 0.00 C ATOM 0 H ILE A 50 -17.777 6.782 -1.960 1.00 0.00 H new ATOM 0 HA ILE A 50 -19.038 6.235 -4.350 1.00 0.00 H new ATOM 0 HB ILE A 50 -19.564 5.410 -1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -21.925 4.963 -2.502 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -21.930 6.239 -3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -21.346 6.616 -0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -19.856 7.580 -0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -21.244 7.939 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -21.717 4.040 -4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -20.250 5.009 -5.036 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -20.245 3.714 -3.816 1.00 0.00 H new ATOM 121 N GLY A 51 -20.859 8.031 -4.855 1.00 0.00 N ATOM 122 CA GLY A 51 -21.566 9.183 -5.408 1.00 0.00 C ATOM 123 C GLY A 51 -22.479 9.859 -4.397 1.00 0.00 C ATOM 124 O GLY A 51 -22.082 10.106 -3.258 1.00 0.00 O ATOM 0 H GLY A 51 -21.194 7.127 -5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.839 9.908 -5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -22.157 8.863 -6.266 1.00 0.00 H new ATOM 128 N ASN A 52 -23.710 10.156 -4.812 1.00 0.00 N ATOM 129 CA ASN A 52 -24.680 10.802 -3.924 1.00 0.00 C ATOM 130 C ASN A 52 -25.158 9.824 -2.844 1.00 0.00 C ATOM 131 O ASN A 52 -26.326 9.434 -2.808 1.00 0.00 O ATOM 132 CB ASN A 52 -25.868 11.338 -4.734 1.00 0.00 C ATOM 133 CG ASN A 52 -25.766 12.826 -5.000 1.00 0.00 C ATOM 134 OD1 ASN A 52 -26.680 13.585 -4.693 1.00 0.00 O ATOM 135 ND2 ASN A 52 -24.653 13.256 -5.579 1.00 0.00 N ATOM 0 H ASN A 52 -24.059 9.962 -5.751 1.00 0.00 H new ATOM 0 HA ASN A 52 -24.192 11.642 -3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -25.926 10.806 -5.683 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -26.793 11.131 -4.196 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -24.535 14.248 -5.784 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -23.915 12.594 -5.820 1.00 0.00 H new ATOM 142 N PHE A 53 -24.231 9.424 -1.977 1.00 0.00 N ATOM 143 CA PHE A 53 -24.525 8.483 -0.899 1.00 0.00 C ATOM 144 C PHE A 53 -23.347 8.400 0.077 1.00 0.00 C ATOM 145 O PHE A 53 -22.320 9.050 -0.123 1.00 0.00 O ATOM 146 CB PHE A 53 -24.829 7.098 -1.494 1.00 0.00 C ATOM 147 CG PHE A 53 -25.632 6.203 -0.591 1.00 0.00 C ATOM 148 CD1 PHE A 53 -26.851 6.623 -0.082 1.00 0.00 C ATOM 149 CD2 PHE A 53 -25.165 4.945 -0.250 1.00 0.00 C ATOM 150 CE1 PHE A 53 -27.588 5.801 0.750 1.00 0.00 C ATOM 151 CE2 PHE A 53 -25.897 4.120 0.582 1.00 0.00 C ATOM 152 CZ PHE A 53 -27.111 4.549 1.083 1.00 0.00 C ATOM 0 H PHE A 53 -23.262 9.740 -2.001 1.00 0.00 H new ATOM 0 HA PHE A 53 -25.398 8.834 -0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -25.369 7.228 -2.432 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -23.888 6.603 -1.734 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -27.229 7.602 -0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -24.217 4.604 -0.639 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -28.537 6.138 1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -25.521 3.141 0.840 1.00 0.00 H new ATOM 0 HZ PHE A 53 -27.686 3.906 1.734 1.00 0.00 H new ATOM 162 N SER A 54 -23.497 7.601 1.127 1.00 0.00 N ATOM 163 CA SER A 54 -22.444 7.432 2.124 1.00 0.00 C ATOM 164 C SER A 54 -22.452 6.010 2.686 1.00 0.00 C ATOM 165 O SER A 54 -22.464 5.810 3.904 1.00 0.00 O ATOM 166 CB SER A 54 -22.615 8.454 3.251 1.00 0.00 C ATOM 167 OG SER A 54 -23.909 8.366 3.824 1.00 0.00 O ATOM 0 H SER A 54 -24.340 7.058 1.311 1.00 0.00 H new ATOM 0 HA SER A 54 -21.482 7.600 1.641 1.00 0.00 H new ATOM 0 HB2 SER A 54 -21.861 8.283 4.019 1.00 0.00 H new ATOM 0 HB3 SER A 54 -22.453 9.460 2.863 1.00 0.00 H new ATOM 0 HG SER A 54 -23.994 9.027 4.543 1.00 0.00 H new ATOM 173 N GLY A 55 -22.447 5.024 1.787 1.00 0.00 N ATOM 174 CA GLY A 55 -22.455 3.629 2.203 1.00 0.00 C ATOM 175 C GLY A 55 -22.390 2.653 1.036 1.00 0.00 C ATOM 176 O GLY A 55 -23.343 1.912 0.801 1.00 0.00 O ATOM 0 H GLY A 55 -22.438 5.168 0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -21.608 3.450 2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -23.359 3.434 2.781 1.00 0.00 H new ATOM 180 N PRO A 56 -21.269 2.636 0.282 1.00 0.00 N ATOM 181 CA PRO A 56 -21.094 1.730 -0.868 1.00 0.00 C ATOM 182 C PRO A 56 -20.843 0.274 -0.434 1.00 0.00 C ATOM 183 O PRO A 56 -21.186 -0.116 0.682 1.00 0.00 O ATOM 184 CB PRO A 56 -19.866 2.316 -1.574 1.00 0.00 C ATOM 185 CG PRO A 56 -19.075 2.944 -0.482 1.00 0.00 C ATOM 186 CD PRO A 56 -20.085 3.498 0.487 1.00 0.00 C ATOM 0 HA PRO A 56 -21.981 1.676 -1.499 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -19.294 1.541 -2.084 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -20.153 3.049 -2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -18.428 2.213 0.003 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -18.431 3.733 -0.869 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -19.725 3.448 1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -20.309 4.544 0.279 1.00 0.00 H new ATOM 194 N TYR A 57 -20.239 -0.529 -1.319 1.00 0.00 N ATOM 195 CA TYR A 57 -19.944 -1.936 -1.017 1.00 0.00 C ATOM 196 C TYR A 57 -18.875 -2.094 0.069 1.00 0.00 C ATOM 197 O TYR A 57 -18.620 -3.200 0.546 1.00 0.00 O ATOM 198 CB TYR A 57 -19.503 -2.654 -2.291 1.00 0.00 C ATOM 199 CG TYR A 57 -20.212 -3.970 -2.535 1.00 0.00 C ATOM 200 CD1 TYR A 57 -20.131 -5.007 -1.616 1.00 0.00 C ATOM 201 CD2 TYR A 57 -20.960 -4.175 -3.689 1.00 0.00 C ATOM 202 CE1 TYR A 57 -20.773 -6.211 -1.837 1.00 0.00 C ATOM 203 CE2 TYR A 57 -21.606 -5.377 -3.916 1.00 0.00 C ATOM 204 CZ TYR A 57 -21.509 -6.390 -2.987 1.00 0.00 C ATOM 205 OH TYR A 57 -22.150 -7.587 -3.209 1.00 0.00 O ATOM 0 H TYR A 57 -19.945 -0.229 -2.249 1.00 0.00 H new ATOM 0 HA TYR A 57 -20.860 -2.384 -0.631 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.675 -1.997 -3.144 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -18.429 -2.836 -2.240 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -19.556 -4.871 -0.712 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.038 -3.383 -4.420 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -20.698 -7.007 -1.111 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -22.184 -5.521 -4.817 1.00 0.00 H new ATOM 0 HH TYR A 57 -22.626 -7.549 -4.065 1.00 0.00 H new ATOM 215 N THR A 58 -18.265 -0.977 0.446 1.00 0.00 N ATOM 216 CA THR A 58 -17.217 -0.940 1.482 1.00 0.00 C ATOM 217 C THR A 58 -15.844 -1.396 0.957 1.00 0.00 C ATOM 218 O THR A 58 -14.883 -1.483 1.722 1.00 0.00 O ATOM 219 CB THR A 58 -17.642 -1.761 2.713 1.00 0.00 C ATOM 220 OG1 THR A 58 -17.494 -0.984 3.893 1.00 0.00 O ATOM 221 CG2 THR A 58 -16.873 -3.058 2.903 1.00 0.00 C ATOM 0 H THR A 58 -18.478 -0.063 0.046 1.00 0.00 H new ATOM 0 HA THR A 58 -17.101 0.102 1.780 1.00 0.00 H new ATOM 0 HB THR A 58 -18.683 -2.027 2.530 1.00 0.00 H new ATOM 0 HG1 THR A 58 -16.581 -1.080 4.235 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.238 -3.570 3.793 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.017 -3.697 2.032 1.00 0.00 H new ATOM 0 HG23 THR A 58 -15.812 -2.838 3.021 1.00 0.00 H new ATOM 229 N TYR A 59 -15.748 -1.660 -0.350 1.00 0.00 N ATOM 230 CA TYR A 59 -14.480 -2.080 -0.969 1.00 0.00 C ATOM 231 C TYR A 59 -13.334 -1.147 -0.565 1.00 0.00 C ATOM 232 O TYR A 59 -13.553 0.039 -0.312 1.00 0.00 O ATOM 233 CB TYR A 59 -14.604 -2.077 -2.505 1.00 0.00 C ATOM 234 CG TYR A 59 -15.573 -1.041 -3.042 1.00 0.00 C ATOM 235 CD1 TYR A 59 -15.365 0.315 -2.816 1.00 0.00 C ATOM 236 CD2 TYR A 59 -16.699 -1.419 -3.763 1.00 0.00 C ATOM 237 CE1 TYR A 59 -16.251 1.261 -3.292 1.00 0.00 C ATOM 238 CE2 TYR A 59 -17.588 -0.476 -4.245 1.00 0.00 C ATOM 239 CZ TYR A 59 -17.360 0.860 -4.004 1.00 0.00 C ATOM 240 OH TYR A 59 -18.244 1.799 -4.476 1.00 0.00 O ATOM 0 H TYR A 59 -16.530 -1.591 -1.001 1.00 0.00 H new ATOM 0 HA TYR A 59 -14.262 -3.088 -0.617 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -13.620 -1.899 -2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -14.924 -3.065 -2.836 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -14.496 0.634 -2.259 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -16.883 -2.467 -3.950 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -16.075 2.310 -3.107 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -18.456 -0.786 -4.807 1.00 0.00 H new ATOM 0 HH TYR A 59 -18.971 1.351 -4.958 1.00 0.00 H new ATOM 250 N CYS A 60 -12.107 -1.673 -0.533 1.00 0.00 N ATOM 251 CA CYS A 60 -10.943 -0.848 -0.187 1.00 0.00 C ATOM 252 C CYS A 60 -10.948 0.413 -1.044 1.00 0.00 C ATOM 253 O CYS A 60 -11.201 0.347 -2.243 1.00 0.00 O ATOM 254 CB CYS A 60 -9.625 -1.597 -0.419 1.00 0.00 C ATOM 255 SG CYS A 60 -9.724 -3.397 -0.177 1.00 0.00 S ATOM 0 H CYS A 60 -11.894 -2.649 -0.738 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.014 -0.599 0.872 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -9.284 -1.398 -1.435 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.870 -1.194 0.256 1.00 0.00 H new ATOM 260 N ASN A 61 -10.674 1.554 -0.436 1.00 0.00 N ATOM 261 CA ASN A 61 -10.663 2.814 -1.179 1.00 0.00 C ATOM 262 C ASN A 61 -9.244 3.267 -1.482 1.00 0.00 C ATOM 263 O ASN A 61 -8.349 3.146 -0.644 1.00 0.00 O ATOM 264 CB ASN A 61 -11.409 3.913 -0.414 1.00 0.00 C ATOM 265 CG ASN A 61 -11.981 4.972 -1.340 1.00 0.00 C ATOM 266 OD1 ASN A 61 -13.190 5.056 -1.530 1.00 0.00 O ATOM 267 ND2 ASN A 61 -11.119 5.797 -1.916 1.00 0.00 N ATOM 0 H ASN A 61 -10.458 1.640 0.557 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.177 2.634 -2.123 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.217 3.465 0.165 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.730 4.383 0.297 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.454 6.531 -2.540 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.120 5.698 -1.735 1.00 0.00 H new ATOM 274 N THR A 62 -9.058 3.803 -2.685 1.00 0.00 N ATOM 275 CA THR A 62 -7.753 4.298 -3.120 1.00 0.00 C ATOM 276 C THR A 62 -7.140 5.209 -2.057 1.00 0.00 C ATOM 277 O THR A 62 -7.588 6.339 -1.857 1.00 0.00 O ATOM 278 CB THR A 62 -7.868 5.038 -4.459 1.00 0.00 C ATOM 279 OG1 THR A 62 -8.364 4.176 -5.472 1.00 0.00 O ATOM 280 CG2 THR A 62 -6.548 5.586 -4.955 1.00 0.00 C ATOM 0 H THR A 62 -9.798 3.906 -3.380 1.00 0.00 H new ATOM 0 HA THR A 62 -7.096 3.440 -3.260 1.00 0.00 H new ATOM 0 HB THR A 62 -8.549 5.867 -4.267 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.273 3.890 -5.242 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.700 6.097 -5.906 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.149 6.290 -4.225 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.843 4.767 -5.093 1.00 0.00 H new ATOM 288 N THR A 63 -6.130 4.693 -1.360 1.00 0.00 N ATOM 289 CA THR A 63 -5.464 5.445 -0.295 1.00 0.00 C ATOM 290 C THR A 63 -3.944 5.409 -0.431 1.00 0.00 C ATOM 291 O THR A 63 -3.398 4.915 -1.422 1.00 0.00 O ATOM 292 CB THR A 63 -5.860 4.888 1.076 1.00 0.00 C ATOM 293 OG1 THR A 63 -5.426 5.760 2.108 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.277 3.520 1.366 1.00 0.00 C ATOM 0 H THR A 63 -5.754 3.757 -1.512 1.00 0.00 H new ATOM 0 HA THR A 63 -5.789 6.482 -0.385 1.00 0.00 H new ATOM 0 HB THR A 63 -6.946 4.802 1.049 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.687 5.393 2.978 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.599 3.189 2.353 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.623 2.810 0.614 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.189 3.575 1.339 1.00 0.00 H new ATOM 302 N LEU A 64 -3.267 5.923 0.591 1.00 0.00 N ATOM 303 CA LEU A 64 -1.813 5.948 0.627 1.00 0.00 C ATOM 304 C LEU A 64 -1.290 5.067 1.764 1.00 0.00 C ATOM 305 O LEU A 64 -2.069 4.421 2.473 1.00 0.00 O ATOM 306 CB LEU A 64 -1.320 7.389 0.795 1.00 0.00 C ATOM 307 CG LEU A 64 -0.355 7.872 -0.290 1.00 0.00 C ATOM 308 CD1 LEU A 64 -0.996 8.965 -1.127 1.00 0.00 C ATOM 309 CD2 LEU A 64 0.940 8.370 0.330 1.00 0.00 C ATOM 0 H LEU A 64 -3.711 6.332 1.413 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.431 5.553 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.184 8.053 0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.828 7.478 1.764 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.124 7.029 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.294 9.295 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.897 8.578 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.257 9.808 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.613 8.709 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.725 9.198 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.412 7.560 0.887 1.00 0.00 H new ATOM 321 N ASP A 65 0.028 5.042 1.935 1.00 0.00 N ATOM 322 CA ASP A 65 0.653 4.244 2.984 1.00 0.00 C ATOM 323 C ASP A 65 1.713 5.051 3.736 1.00 0.00 C ATOM 324 O ASP A 65 1.880 6.247 3.490 1.00 0.00 O ATOM 325 CB ASP A 65 1.288 2.995 2.363 1.00 0.00 C ATOM 326 CG ASP A 65 1.251 1.782 3.273 1.00 0.00 C ATOM 327 OD1 ASP A 65 0.910 1.928 4.470 1.00 0.00 O ATOM 328 OD2 ASP A 65 1.561 0.678 2.784 1.00 0.00 O ATOM 0 H ASP A 65 0.686 5.567 1.359 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.115 3.950 3.700 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.771 2.758 1.433 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.324 3.214 2.104 1.00 0.00 H new ATOM 333 N GLN A 66 2.439 4.390 4.644 1.00 0.00 N ATOM 334 CA GLN A 66 3.497 5.054 5.410 1.00 0.00 C ATOM 335 C GLN A 66 4.479 5.755 4.463 1.00 0.00 C ATOM 336 O GLN A 66 5.039 6.805 4.793 1.00 0.00 O ATOM 337 CB GLN A 66 4.237 4.041 6.292 1.00 0.00 C ATOM 338 CG GLN A 66 5.286 4.668 7.207 1.00 0.00 C ATOM 339 CD GLN A 66 4.730 5.793 8.061 1.00 0.00 C ATOM 340 OE1 GLN A 66 4.336 5.581 9.204 1.00 0.00 O ATOM 341 NE2 GLN A 66 4.689 6.996 7.507 1.00 0.00 N ATOM 0 H GLN A 66 2.314 3.402 4.865 1.00 0.00 H new ATOM 0 HA GLN A 66 3.039 5.804 6.055 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.510 3.506 6.903 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.721 3.303 5.653 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.701 3.897 7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.107 5.051 6.601 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.027 7.130 6.554 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.320 7.788 8.034 1.00 0.00 H new ATOM 350 N ILE A 67 4.656 5.173 3.278 1.00 0.00 N ATOM 351 CA ILE A 67 5.531 5.728 2.251 1.00 0.00 C ATOM 352 C ILE A 67 4.718 6.074 1.000 1.00 0.00 C ATOM 353 O ILE A 67 3.486 5.982 1.006 1.00 0.00 O ATOM 354 CB ILE A 67 6.673 4.753 1.873 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.241 3.292 2.043 1.00 0.00 C ATOM 356 CG2 ILE A 67 7.908 5.043 2.710 1.00 0.00 C ATOM 357 CD1 ILE A 67 7.034 2.329 1.187 1.00 0.00 C ATOM 0 H ILE A 67 4.197 4.304 3.005 1.00 0.00 H new ATOM 0 HA ILE A 67 5.983 6.631 2.662 1.00 0.00 H new ATOM 0 HB ILE A 67 6.913 4.907 0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.347 3.009 3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.184 3.202 1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.704 4.351 2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.238 6.066 2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.669 4.920 3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.677 1.313 1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.908 2.588 0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.090 2.391 1.452 1.00 0.00 H new ATOM 369 N GLY A 68 5.401 6.473 -0.074 1.00 0.00 N ATOM 370 CA GLY A 68 4.712 6.825 -1.309 1.00 0.00 C ATOM 371 C GLY A 68 4.063 5.633 -1.998 1.00 0.00 C ATOM 372 O GLY A 68 4.414 5.298 -3.127 1.00 0.00 O ATOM 0 H GLY A 68 6.417 6.559 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.947 7.570 -1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.422 7.289 -1.993 1.00 0.00 H new ATOM 376 N THR A 69 3.110 4.990 -1.321 1.00 0.00 N ATOM 377 CA THR A 69 2.412 3.835 -1.888 1.00 0.00 C ATOM 378 C THR A 69 0.920 4.136 -2.058 1.00 0.00 C ATOM 379 O THR A 69 0.284 4.686 -1.159 1.00 0.00 O ATOM 380 CB THR A 69 2.605 2.593 -1.003 1.00 0.00 C ATOM 381 OG1 THR A 69 3.978 2.380 -0.692 1.00 0.00 O ATOM 382 CG2 THR A 69 2.090 1.324 -1.641 1.00 0.00 C ATOM 0 H THR A 69 2.805 5.248 -0.383 1.00 0.00 H new ATOM 0 HA THR A 69 2.840 3.630 -2.869 1.00 0.00 H new ATOM 0 HB THR A 69 2.029 2.803 -0.102 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.383 1.805 -1.375 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.256 0.484 -0.966 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.023 1.424 -1.840 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.619 1.147 -2.577 1.00 0.00 H new ATOM 390 N CYS A 70 0.370 3.779 -3.218 1.00 0.00 N ATOM 391 CA CYS A 70 -1.048 4.014 -3.507 1.00 0.00 C ATOM 392 C CYS A 70 -1.841 2.709 -3.445 1.00 0.00 C ATOM 393 O CYS A 70 -1.508 1.740 -4.128 1.00 0.00 O ATOM 394 CB CYS A 70 -1.209 4.662 -4.884 1.00 0.00 C ATOM 395 SG CYS A 70 -2.613 5.817 -5.004 1.00 0.00 S ATOM 0 H CYS A 70 0.883 3.326 -3.974 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.441 4.691 -2.748 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -0.291 5.196 -5.132 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.333 3.877 -5.630 1.00 0.00 H new ATOM 400 N TRP A 71 -2.883 2.684 -2.617 1.00 0.00 N ATOM 401 CA TRP A 71 -3.708 1.486 -2.455 1.00 0.00 C ATOM 402 C TRP A 71 -5.124 1.690 -2.991 1.00 0.00 C ATOM 403 O TRP A 71 -6.012 2.133 -2.261 1.00 0.00 O ATOM 404 CB TRP A 71 -3.746 1.088 -0.980 1.00 0.00 C ATOM 405 CG TRP A 71 -2.396 0.718 -0.461 1.00 0.00 C ATOM 406 CD1 TRP A 71 -1.656 1.391 0.468 1.00 0.00 C ATOM 407 CD2 TRP A 71 -1.615 -0.409 -0.865 1.00 0.00 C ATOM 408 NE1 TRP A 71 -0.457 0.742 0.666 1.00 0.00 N ATOM 409 CE2 TRP A 71 -0.414 -0.365 -0.141 1.00 0.00 C ATOM 410 CE3 TRP A 71 -1.819 -1.455 -1.770 1.00 0.00 C ATOM 411 CZ2 TRP A 71 0.580 -1.325 -0.294 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -0.831 -2.408 -1.920 1.00 0.00 C ATOM 413 CH2 TRP A 71 0.356 -2.337 -1.185 1.00 0.00 C ATOM 0 H TRP A 71 -3.177 3.478 -2.048 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.258 0.684 -3.039 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.145 1.915 -0.392 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -4.427 0.247 -0.850 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -1.964 2.295 0.972 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.278 1.037 1.308 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -2.733 -1.517 -2.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.498 -1.273 0.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -0.978 -3.221 -2.616 1.00 0.00 H new ATOM 0 HH2 TRP A 71 1.111 -3.097 -1.324 1.00 0.00 H new ATOM 424 N PRO A 72 -5.346 1.366 -4.284 1.00 0.00 N ATOM 425 CA PRO A 72 -6.657 1.514 -4.938 1.00 0.00 C ATOM 426 C PRO A 72 -7.668 0.436 -4.530 1.00 0.00 C ATOM 427 O PRO A 72 -7.405 -0.384 -3.646 1.00 0.00 O ATOM 428 CB PRO A 72 -6.308 1.386 -6.424 1.00 0.00 C ATOM 429 CG PRO A 72 -5.115 0.498 -6.449 1.00 0.00 C ATOM 430 CD PRO A 72 -4.326 0.832 -5.213 1.00 0.00 C ATOM 0 HA PRO A 72 -7.142 2.451 -4.664 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.134 0.957 -6.991 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.089 2.358 -6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.409 -0.551 -6.453 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.522 0.666 -7.348 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.832 -0.048 -4.803 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.548 1.567 -5.420 1.00 0.00 H new ATOM 438 N GLN A 73 -8.831 0.451 -5.185 1.00 0.00 N ATOM 439 CA GLN A 73 -9.895 -0.515 -4.909 1.00 0.00 C ATOM 440 C GLN A 73 -9.442 -1.946 -5.221 1.00 0.00 C ATOM 441 O GLN A 73 -9.212 -2.296 -6.379 1.00 0.00 O ATOM 442 CB GLN A 73 -11.150 -0.171 -5.724 1.00 0.00 C ATOM 443 CG GLN A 73 -12.001 0.934 -5.108 1.00 0.00 C ATOM 444 CD GLN A 73 -11.523 2.331 -5.482 1.00 0.00 C ATOM 445 OE1 GLN A 73 -10.590 2.869 -4.880 1.00 0.00 O ATOM 446 NE2 GLN A 73 -12.160 2.927 -6.481 1.00 0.00 N ATOM 0 H GLN A 73 -9.060 1.126 -5.914 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.131 -0.458 -3.846 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.849 0.132 -6.727 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.759 -1.068 -5.832 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.035 0.811 -5.430 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.991 0.831 -4.023 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.927 2.449 -6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -11.883 3.863 -6.776 1.00 0.00 H new ATOM 455 N SER A 74 -9.314 -2.763 -4.175 1.00 0.00 N ATOM 456 CA SER A 74 -8.886 -4.153 -4.331 1.00 0.00 C ATOM 457 C SER A 74 -10.025 -5.120 -3.989 1.00 0.00 C ATOM 458 O SER A 74 -10.676 -5.663 -4.884 1.00 0.00 O ATOM 459 CB SER A 74 -7.658 -4.431 -3.450 1.00 0.00 C ATOM 460 OG SER A 74 -6.808 -5.398 -4.050 1.00 0.00 O ATOM 0 H SER A 74 -9.501 -2.486 -3.211 1.00 0.00 H new ATOM 0 HA SER A 74 -8.613 -4.313 -5.374 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.105 -3.506 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.981 -4.784 -2.471 1.00 0.00 H new ATOM 0 HG SER A 74 -6.033 -5.556 -3.471 1.00 0.00 H new ATOM 466 N ALA A 75 -10.258 -5.318 -2.693 1.00 0.00 N ATOM 467 CA ALA A 75 -11.310 -6.206 -2.202 1.00 0.00 C ATOM 468 C ALA A 75 -11.300 -6.239 -0.673 1.00 0.00 C ATOM 469 O ALA A 75 -10.235 -6.326 -0.059 1.00 0.00 O ATOM 470 CB ALA A 75 -11.132 -7.611 -2.766 1.00 0.00 C ATOM 0 H ALA A 75 -9.722 -4.866 -1.952 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.273 -5.822 -2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.925 -8.257 -2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.180 -7.575 -3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.164 -8.007 -2.458 1.00 0.00 H new ATOM 476 N PRO A 76 -12.486 -6.171 -0.034 1.00 0.00 N ATOM 477 CA PRO A 76 -12.588 -6.195 1.431 1.00 0.00 C ATOM 478 C PRO A 76 -12.046 -7.501 2.017 1.00 0.00 C ATOM 479 O PRO A 76 -12.591 -8.580 1.770 1.00 0.00 O ATOM 480 CB PRO A 76 -14.093 -6.047 1.691 1.00 0.00 C ATOM 481 CG PRO A 76 -14.746 -6.476 0.423 1.00 0.00 C ATOM 482 CD PRO A 76 -13.807 -6.071 -0.677 1.00 0.00 C ATOM 0 HA PRO A 76 -11.997 -5.410 1.903 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.412 -6.667 2.529 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -14.351 -5.018 1.940 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.916 -7.553 0.415 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -15.719 -5.999 0.303 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.887 -6.731 -1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.009 -5.060 -1.029 1.00 0.00 H new ATOM 490 N GLY A 77 -10.956 -7.394 2.776 1.00 0.00 N ATOM 491 CA GLY A 77 -10.335 -8.570 3.372 1.00 0.00 C ATOM 492 C GLY A 77 -9.278 -9.169 2.465 1.00 0.00 C ATOM 493 O GLY A 77 -9.405 -10.313 2.035 1.00 0.00 O ATOM 0 H GLY A 77 -10.490 -6.512 2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.884 -8.298 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.100 -9.318 3.582 1.00 0.00 H new ATOM 497 N ALA A 78 -8.238 -8.391 2.159 1.00 0.00 N ATOM 498 CA ALA A 78 -7.171 -8.854 1.278 1.00 0.00 C ATOM 499 C ALA A 78 -5.820 -8.227 1.626 1.00 0.00 C ATOM 500 O ALA A 78 -5.715 -7.012 1.816 1.00 0.00 O ATOM 501 CB ALA A 78 -7.532 -8.546 -0.171 1.00 0.00 C ATOM 0 H ALA A 78 -8.114 -7.441 2.508 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.073 -9.931 1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.733 -8.893 -0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.461 -9.054 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.660 -7.471 -0.293 1.00 0.00 H new ATOM 507 N LEU A 79 -4.787 -9.066 1.682 1.00 0.00 N ATOM 508 CA LEU A 79 -3.430 -8.607 1.975 1.00 0.00 C ATOM 509 C LEU A 79 -2.717 -8.225 0.682 1.00 0.00 C ATOM 510 O LEU A 79 -2.296 -9.090 -0.090 1.00 0.00 O ATOM 511 CB LEU A 79 -2.637 -9.687 2.723 1.00 0.00 C ATOM 512 CG LEU A 79 -1.382 -9.200 3.467 1.00 0.00 C ATOM 513 CD1 LEU A 79 -1.708 -8.038 4.380 1.00 0.00 C ATOM 514 CD2 LEU A 79 -0.781 -10.331 4.274 1.00 0.00 C ATOM 0 H LEU A 79 -4.865 -10.071 1.528 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.494 -7.728 2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.301 -10.165 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.338 -10.453 2.007 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.660 -8.863 2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.803 -7.714 4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.106 -7.212 3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.450 -8.350 5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.107 -9.974 4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.511 -10.687 5.001 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.505 -11.148 3.607 1.00 0.00 H new ATOM 526 N VAL A 80 -2.585 -6.925 0.452 1.00 0.00 N ATOM 527 CA VAL A 80 -1.925 -6.418 -0.746 1.00 0.00 C ATOM 528 C VAL A 80 -0.467 -6.067 -0.444 1.00 0.00 C ATOM 529 O VAL A 80 -0.181 -5.144 0.319 1.00 0.00 O ATOM 530 CB VAL A 80 -2.651 -5.183 -1.327 1.00 0.00 C ATOM 531 CG1 VAL A 80 -2.397 -5.073 -2.821 1.00 0.00 C ATOM 532 CG2 VAL A 80 -4.148 -5.248 -1.052 1.00 0.00 C ATOM 0 H VAL A 80 -2.927 -6.199 1.082 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.961 -7.210 -1.494 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.252 -4.296 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.915 -4.199 -3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.327 -4.973 -3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.767 -5.969 -3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.634 -4.367 -1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.564 -6.145 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.319 -5.279 0.024 1.00 0.00 H new ATOM 542 N GLU A 81 0.447 -6.831 -1.032 1.00 0.00 N ATOM 543 CA GLU A 81 1.881 -6.633 -0.822 1.00 0.00 C ATOM 544 C GLU A 81 2.478 -5.637 -1.821 1.00 0.00 C ATOM 545 O GLU A 81 1.912 -5.390 -2.888 1.00 0.00 O ATOM 546 CB GLU A 81 2.603 -7.979 -0.929 1.00 0.00 C ATOM 547 CG GLU A 81 3.875 -8.071 -0.098 1.00 0.00 C ATOM 548 CD GLU A 81 4.940 -8.925 -0.751 1.00 0.00 C ATOM 549 OE1 GLU A 81 5.310 -8.630 -1.907 1.00 0.00 O ATOM 550 OE2 GLU A 81 5.410 -9.884 -0.105 1.00 0.00 O ATOM 0 H GLU A 81 0.220 -7.600 -1.663 1.00 0.00 H new ATOM 0 HA GLU A 81 2.018 -6.214 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.921 -8.770 -0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.851 -8.164 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.270 -7.068 0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.635 -8.484 0.882 1.00 0.00 H new ATOM 557 N ARG A 82 3.632 -5.074 -1.462 1.00 0.00 N ATOM 558 CA ARG A 82 4.329 -4.111 -2.313 1.00 0.00 C ATOM 559 C ARG A 82 5.850 -4.210 -2.105 1.00 0.00 C ATOM 560 O ARG A 82 6.315 -4.621 -1.035 1.00 0.00 O ATOM 561 CB ARG A 82 3.807 -2.688 -2.034 1.00 0.00 C ATOM 562 CG ARG A 82 4.885 -1.642 -1.759 1.00 0.00 C ATOM 563 CD ARG A 82 5.421 -1.738 -0.337 1.00 0.00 C ATOM 564 NE ARG A 82 4.368 -2.057 0.632 1.00 0.00 N ATOM 565 CZ ARG A 82 3.591 -1.159 1.224 1.00 0.00 C ATOM 566 NH1 ARG A 82 3.690 0.123 0.933 1.00 0.00 N ATOM 567 NH2 ARG A 82 2.692 -1.540 2.103 1.00 0.00 N ATOM 0 H ARG A 82 4.106 -5.271 -0.581 1.00 0.00 H new ATOM 0 HA ARG A 82 4.127 -4.344 -3.359 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.216 -2.361 -2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.134 -2.727 -1.177 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.705 -1.772 -2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.475 -0.646 -1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.196 -2.503 -0.294 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.890 -0.793 -0.063 1.00 0.00 H new ATOM 0 HE ARG A 82 4.222 -3.039 0.868 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.372 0.438 0.243 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.085 0.800 1.398 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.590 -2.529 2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.096 -0.847 2.556 1.00 0.00 H new ATOM 581 N PRO A 83 6.642 -3.838 -3.134 1.00 0.00 N ATOM 582 CA PRO A 83 8.113 -3.886 -3.081 1.00 0.00 C ATOM 583 C PRO A 83 8.693 -3.271 -1.804 1.00 0.00 C ATOM 584 O PRO A 83 8.262 -2.204 -1.362 1.00 0.00 O ATOM 585 CB PRO A 83 8.552 -3.075 -4.315 1.00 0.00 C ATOM 586 CG PRO A 83 7.306 -2.457 -4.863 1.00 0.00 C ATOM 587 CD PRO A 83 6.175 -3.343 -4.434 1.00 0.00 C ATOM 0 HA PRO A 83 8.472 -4.915 -3.078 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.280 -2.311 -4.042 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.028 -3.718 -5.056 1.00 0.00 H new ATOM 0 HG2 PRO A 83 7.173 -1.445 -4.481 1.00 0.00 H new ATOM 0 HG3 PRO A 83 7.353 -2.385 -5.950 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.238 -2.793 -4.347 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.004 -4.155 -5.141 1.00 0.00 H new ATOM 595 N CYS A 84 9.672 -3.955 -1.212 1.00 0.00 N ATOM 596 CA CYS A 84 10.312 -3.474 0.018 1.00 0.00 C ATOM 597 C CYS A 84 11.241 -2.296 -0.269 1.00 0.00 C ATOM 598 O CYS A 84 12.243 -2.444 -0.971 1.00 0.00 O ATOM 599 CB CYS A 84 11.108 -4.591 0.698 1.00 0.00 C ATOM 600 SG CYS A 84 10.743 -4.787 2.475 1.00 0.00 S ATOM 0 H CYS A 84 10.040 -4.840 -1.560 1.00 0.00 H new ATOM 0 HA CYS A 84 9.517 -3.145 0.687 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.901 -5.532 0.189 1.00 0.00 H new ATOM 0 HB3 CYS A 84 12.172 -4.390 0.576 1.00 0.00 H new ATOM 605 N PRO A 85 10.930 -1.107 0.280 1.00 0.00 N ATOM 606 CA PRO A 85 11.754 0.093 0.086 1.00 0.00 C ATOM 607 C PRO A 85 13.138 -0.052 0.726 1.00 0.00 C ATOM 608 O PRO A 85 13.348 0.333 1.881 1.00 0.00 O ATOM 609 CB PRO A 85 10.940 1.198 0.772 1.00 0.00 C ATOM 610 CG PRO A 85 10.090 0.482 1.764 1.00 0.00 C ATOM 611 CD PRO A 85 9.759 -0.841 1.138 1.00 0.00 C ATOM 0 HA PRO A 85 11.953 0.295 -0.967 1.00 0.00 H new ATOM 0 HB2 PRO A 85 11.590 1.924 1.259 1.00 0.00 H new ATOM 0 HB3 PRO A 85 10.332 1.747 0.053 1.00 0.00 H new ATOM 0 HG2 PRO A 85 10.619 0.347 2.707 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.185 1.048 1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 85 9.624 -1.620 1.889 1.00 0.00 H new ATOM 0 HD3 PRO A 85 8.837 -0.793 0.559 1.00 0.00 H new ATOM 619 N GLU A 86 14.075 -0.626 -0.031 1.00 0.00 N ATOM 620 CA GLU A 86 15.444 -0.847 0.446 1.00 0.00 C ATOM 621 C GLU A 86 16.168 0.470 0.754 1.00 0.00 C ATOM 622 O GLU A 86 16.867 0.580 1.762 1.00 0.00 O ATOM 623 CB GLU A 86 16.232 -1.667 -0.579 1.00 0.00 C ATOM 624 CG GLU A 86 16.738 -0.847 -1.751 1.00 0.00 C ATOM 625 CD GLU A 86 17.165 -1.699 -2.932 1.00 0.00 C ATOM 626 OE1 GLU A 86 16.285 -2.323 -3.559 1.00 0.00 O ATOM 627 OE2 GLU A 86 18.376 -1.739 -3.228 1.00 0.00 O ATOM 0 H GLU A 86 13.910 -0.949 -0.984 1.00 0.00 H new ATOM 0 HA GLU A 86 15.382 -1.404 1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.080 -2.137 -0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.598 -2.470 -0.955 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.955 -0.159 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.582 -0.240 -1.425 1.00 0.00 H new ATOM 634 N TYR A 87 16.003 1.464 -0.119 1.00 0.00 N ATOM 635 CA TYR A 87 16.645 2.764 0.064 1.00 0.00 C ATOM 636 C TYR A 87 15.669 3.784 0.672 1.00 0.00 C ATOM 637 O TYR A 87 15.372 4.816 0.064 1.00 0.00 O ATOM 638 CB TYR A 87 17.185 3.275 -1.280 1.00 0.00 C ATOM 639 CG TYR A 87 18.538 3.948 -1.191 1.00 0.00 C ATOM 640 CD1 TYR A 87 18.737 5.055 -0.375 1.00 0.00 C ATOM 641 CD2 TYR A 87 19.616 3.481 -1.932 1.00 0.00 C ATOM 642 CE1 TYR A 87 19.973 5.675 -0.300 1.00 0.00 C ATOM 643 CE2 TYR A 87 20.852 4.095 -1.863 1.00 0.00 C ATOM 644 CZ TYR A 87 21.026 5.190 -1.047 1.00 0.00 C ATOM 645 OH TYR A 87 22.255 5.804 -0.977 1.00 0.00 O ATOM 0 H TYR A 87 15.430 1.393 -0.960 1.00 0.00 H new ATOM 0 HA TYR A 87 17.476 2.641 0.759 1.00 0.00 H new ATOM 0 HB2 TYR A 87 17.254 2.437 -1.973 1.00 0.00 H new ATOM 0 HB3 TYR A 87 16.469 3.980 -1.702 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.914 5.438 0.210 1.00 0.00 H new ATOM 0 HD2 TYR A 87 19.486 2.622 -2.574 1.00 0.00 H new ATOM 0 HE1 TYR A 87 20.112 6.534 0.340 1.00 0.00 H new ATOM 0 HE2 TYR A 87 21.678 3.717 -2.447 1.00 0.00 H new ATOM 0 HH TYR A 87 22.887 5.338 -1.563 1.00 0.00 H new ATOM 655 N PHE A 88 15.179 3.490 1.876 1.00 0.00 N ATOM 656 CA PHE A 88 14.239 4.381 2.566 1.00 0.00 C ATOM 657 C PHE A 88 14.617 4.564 4.041 1.00 0.00 C ATOM 658 O PHE A 88 13.765 4.872 4.877 1.00 0.00 O ATOM 659 CB PHE A 88 12.816 3.829 2.449 1.00 0.00 C ATOM 660 CG PHE A 88 12.000 4.489 1.375 1.00 0.00 C ATOM 661 CD1 PHE A 88 12.126 4.099 0.051 1.00 0.00 C ATOM 662 CD2 PHE A 88 11.108 5.501 1.689 1.00 0.00 C ATOM 663 CE1 PHE A 88 11.376 4.704 -0.938 1.00 0.00 C ATOM 664 CE2 PHE A 88 10.356 6.110 0.703 1.00 0.00 C ATOM 665 CZ PHE A 88 10.489 5.711 -0.612 1.00 0.00 C ATOM 0 H PHE A 88 15.415 2.644 2.395 1.00 0.00 H new ATOM 0 HA PHE A 88 14.288 5.359 2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.866 2.759 2.249 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.308 3.951 3.406 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.819 3.313 -0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.999 5.817 2.716 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.483 4.390 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.664 6.898 0.961 1.00 0.00 H new ATOM 0 HZ PHE A 88 9.901 6.185 -1.384 1.00 0.00 H new ATOM 675 N ASN A 89 15.901 4.376 4.352 1.00 0.00 N ATOM 676 CA ASN A 89 16.402 4.517 5.718 1.00 0.00 C ATOM 677 C ASN A 89 17.906 4.804 5.709 1.00 0.00 C ATOM 678 O ASN A 89 18.507 4.957 4.644 1.00 0.00 O ATOM 679 CB ASN A 89 16.117 3.232 6.510 1.00 0.00 C ATOM 680 CG ASN A 89 14.740 3.222 7.145 1.00 0.00 C ATOM 681 OD1 ASN A 89 13.905 2.382 6.822 1.00 0.00 O ATOM 682 ND2 ASN A 89 14.493 4.154 8.053 1.00 0.00 N ATOM 0 H ASN A 89 16.616 4.124 3.670 1.00 0.00 H new ATOM 0 HA ASN A 89 15.892 5.354 6.195 1.00 0.00 H new ATOM 0 HB2 ASN A 89 16.211 2.373 5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 89 16.871 3.116 7.288 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.582 4.191 8.511 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.213 4.835 8.294 1.00 0.00 H new ATOM 689 N GLY A 90 18.515 4.852 6.896 1.00 0.00 N ATOM 690 CA GLY A 90 19.950 5.094 6.988 1.00 0.00 C ATOM 691 C GLY A 90 20.762 4.058 6.222 1.00 0.00 C ATOM 692 O GLY A 90 21.899 4.319 5.830 1.00 0.00 O ATOM 0 H GLY A 90 18.043 4.728 7.792 1.00 0.00 H new ATOM 0 HA2 GLY A 90 20.174 6.087 6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 90 20.251 5.086 8.036 1.00 0.00 H new ATOM 696 N ILE A 91 20.165 2.885 5.996 1.00 0.00 N ATOM 697 CA ILE A 91 20.823 1.809 5.260 1.00 0.00 C ATOM 698 C ILE A 91 20.044 1.457 3.991 1.00 0.00 C ATOM 699 O ILE A 91 18.874 1.816 3.841 1.00 0.00 O ATOM 700 CB ILE A 91 20.996 0.525 6.121 1.00 0.00 C ATOM 701 CG1 ILE A 91 19.729 -0.339 6.097 1.00 0.00 C ATOM 702 CG2 ILE A 91 21.365 0.870 7.555 1.00 0.00 C ATOM 703 CD1 ILE A 91 18.478 0.392 6.530 1.00 0.00 C ATOM 0 H ILE A 91 19.223 2.658 6.315 1.00 0.00 H new ATOM 0 HA ILE A 91 21.813 2.181 4.994 1.00 0.00 H new ATOM 0 HB ILE A 91 21.812 -0.049 5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 91 19.582 -0.723 5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 91 19.877 -1.201 6.747 1.00 0.00 H new ATOM 0 HG21 ILE A 91 21.479 -0.048 8.132 1.00 0.00 H new ATOM 0 HG22 ILE A 91 22.303 1.425 7.566 1.00 0.00 H new ATOM 0 HG23 ILE A 91 20.577 1.481 7.996 1.00 0.00 H new ATOM 0 HD11 ILE A 91 17.626 -0.287 6.486 1.00 0.00 H new ATOM 0 HD12 ILE A 91 18.602 0.752 7.551 1.00 0.00 H new ATOM 0 HD13 ILE A 91 18.303 1.238 5.866 1.00 0.00 H new ATOM 715 N LYS A 92 20.704 0.743 3.092 1.00 0.00 N ATOM 716 CA LYS A 92 20.095 0.316 1.836 1.00 0.00 C ATOM 717 C LYS A 92 20.667 -1.039 1.417 1.00 0.00 C ATOM 718 O LYS A 92 21.518 -1.121 0.529 1.00 0.00 O ATOM 719 CB LYS A 92 20.314 1.365 0.734 1.00 0.00 C ATOM 720 CG LYS A 92 21.418 2.374 1.028 1.00 0.00 C ATOM 721 CD LYS A 92 22.690 2.047 0.263 1.00 0.00 C ATOM 722 CE LYS A 92 23.629 1.165 1.071 1.00 0.00 C ATOM 723 NZ LYS A 92 24.865 1.895 1.490 1.00 0.00 N ATOM 0 H LYS A 92 21.672 0.443 3.209 1.00 0.00 H new ATOM 0 HA LYS A 92 19.020 0.214 1.986 1.00 0.00 H new ATOM 0 HB2 LYS A 92 20.549 0.850 -0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 92 19.380 1.904 0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 92 21.078 3.375 0.760 1.00 0.00 H new ATOM 0 HG3 LYS A 92 21.628 2.384 2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 92 22.433 1.545 -0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 92 23.201 2.972 -0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 92 23.109 0.797 1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 92 23.907 0.293 0.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 25.304 1.402 2.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 25.535 1.928 0.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 24.617 2.864 1.773 1.00 0.00 H new ATOM 737 N TYR A 93 20.203 -2.095 2.086 1.00 0.00 N ATOM 738 CA TYR A 93 20.668 -3.459 1.812 1.00 0.00 C ATOM 739 C TYR A 93 19.578 -4.494 2.117 1.00 0.00 C ATOM 740 O TYR A 93 18.426 -4.140 2.362 1.00 0.00 O ATOM 741 CB TYR A 93 21.918 -3.791 2.647 1.00 0.00 C ATOM 742 CG TYR A 93 22.898 -2.652 2.829 1.00 0.00 C ATOM 743 CD1 TYR A 93 22.748 -1.737 3.864 1.00 0.00 C ATOM 744 CD2 TYR A 93 23.984 -2.504 1.977 1.00 0.00 C ATOM 745 CE1 TYR A 93 23.651 -0.708 4.043 1.00 0.00 C ATOM 746 CE2 TYR A 93 24.889 -1.478 2.150 1.00 0.00 C ATOM 747 CZ TYR A 93 24.718 -0.585 3.184 1.00 0.00 C ATOM 748 OH TYR A 93 25.614 0.452 3.346 1.00 0.00 O ATOM 0 H TYR A 93 19.503 -2.033 2.825 1.00 0.00 H new ATOM 0 HA TYR A 93 20.915 -3.504 0.751 1.00 0.00 H new ATOM 0 HB2 TYR A 93 21.597 -4.132 3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 93 22.439 -4.624 2.175 1.00 0.00 H new ATOM 0 HD1 TYR A 93 21.911 -1.832 4.540 1.00 0.00 H new ATOM 0 HD2 TYR A 93 24.122 -3.203 1.166 1.00 0.00 H new ATOM 0 HE1 TYR A 93 23.520 -0.005 4.852 1.00 0.00 H new ATOM 0 HE2 TYR A 93 25.728 -1.375 1.478 1.00 0.00 H new ATOM 0 HH TYR A 93 26.419 0.275 2.815 1.00 0.00 H new ATOM 758 N ASN A 94 19.973 -5.775 2.106 1.00 0.00 N ATOM 759 CA ASN A 94 19.071 -6.900 2.386 1.00 0.00 C ATOM 760 C ASN A 94 17.697 -6.740 1.716 1.00 0.00 C ATOM 761 O ASN A 94 16.716 -6.365 2.358 1.00 0.00 O ATOM 762 CB ASN A 94 18.894 -7.099 3.901 1.00 0.00 C ATOM 763 CG ASN A 94 17.952 -8.245 4.207 1.00 0.00 C ATOM 764 OD1 ASN A 94 18.226 -9.401 3.881 1.00 0.00 O ATOM 765 ND2 ASN A 94 16.828 -7.934 4.809 1.00 0.00 N ATOM 0 H ASN A 94 20.931 -6.060 1.902 1.00 0.00 H new ATOM 0 HA ASN A 94 19.543 -7.785 1.958 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.864 -7.293 4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.509 -6.182 4.346 1.00 0.00 H new ATOM 0 HD21 ASN A 94 16.146 -8.661 5.022 1.00 0.00 H new ATOM 0 HD22 ASN A 94 16.637 -6.965 5.063 1.00 0.00 H new ATOM 772 N THR A 95 17.627 -7.060 0.429 1.00 0.00 N ATOM 773 CA THR A 95 16.368 -6.981 -0.315 1.00 0.00 C ATOM 774 C THR A 95 15.807 -8.389 -0.541 1.00 0.00 C ATOM 775 O THR A 95 15.627 -8.829 -1.676 1.00 0.00 O ATOM 776 CB THR A 95 16.576 -6.257 -1.653 1.00 0.00 C ATOM 777 OG1 THR A 95 17.775 -6.684 -2.280 1.00 0.00 O ATOM 778 CG2 THR A 95 16.649 -4.752 -1.509 1.00 0.00 C ATOM 0 H THR A 95 18.424 -7.377 -0.123 1.00 0.00 H new ATOM 0 HA THR A 95 15.648 -6.408 0.269 1.00 0.00 H new ATOM 0 HB THR A 95 15.705 -6.512 -2.256 1.00 0.00 H new ATOM 0 HG1 THR A 95 17.886 -6.211 -3.131 1.00 0.00 H new ATOM 0 HG21 THR A 95 16.797 -4.299 -2.490 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.720 -4.383 -1.075 1.00 0.00 H new ATOM 0 HG23 THR A 95 17.483 -4.489 -0.859 1.00 0.00 H new ATOM 786 N THR A 96 15.565 -9.101 0.561 1.00 0.00 N ATOM 787 CA THR A 96 15.057 -10.478 0.501 1.00 0.00 C ATOM 788 C THR A 96 13.544 -10.589 0.742 1.00 0.00 C ATOM 789 O THR A 96 12.997 -11.687 0.658 1.00 0.00 O ATOM 790 CB THR A 96 15.794 -11.364 1.514 1.00 0.00 C ATOM 791 OG1 THR A 96 15.974 -10.688 2.756 1.00 0.00 O ATOM 792 CG2 THR A 96 17.154 -11.820 1.031 1.00 0.00 C ATOM 0 H THR A 96 15.712 -8.749 1.507 1.00 0.00 H new ATOM 0 HA THR A 96 15.245 -10.819 -0.517 1.00 0.00 H new ATOM 0 HB THR A 96 15.158 -12.240 1.640 1.00 0.00 H new ATOM 0 HG1 THR A 96 16.895 -10.360 2.820 1.00 0.00 H new ATOM 0 HG21 THR A 96 17.621 -12.442 1.794 1.00 0.00 H new ATOM 0 HG22 THR A 96 17.040 -12.396 0.113 1.00 0.00 H new ATOM 0 HG23 THR A 96 17.782 -10.950 0.838 1.00 0.00 H new ATOM 800 N ARG A 97 12.861 -9.478 1.036 1.00 0.00 N ATOM 801 CA ARG A 97 11.410 -9.525 1.276 1.00 0.00 C ATOM 802 C ARG A 97 10.699 -8.292 0.709 1.00 0.00 C ATOM 803 O ARG A 97 11.288 -7.518 -0.046 1.00 0.00 O ATOM 804 CB ARG A 97 11.102 -9.652 2.779 1.00 0.00 C ATOM 805 CG ARG A 97 12.147 -10.415 3.574 1.00 0.00 C ATOM 806 CD ARG A 97 13.243 -9.489 4.061 1.00 0.00 C ATOM 807 NE ARG A 97 14.419 -10.228 4.511 1.00 0.00 N ATOM 808 CZ ARG A 97 14.663 -10.552 5.774 1.00 0.00 C ATOM 809 NH1 ARG A 97 13.798 -10.272 6.729 1.00 0.00 N ATOM 810 NH2 ARG A 97 15.778 -11.169 6.089 1.00 0.00 N ATOM 0 H ARG A 97 13.277 -8.550 1.113 1.00 0.00 H new ATOM 0 HA ARG A 97 11.034 -10.407 0.758 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.001 -8.652 3.202 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.139 -10.148 2.899 1.00 0.00 H new ATOM 0 HG2 ARG A 97 11.675 -10.905 4.426 1.00 0.00 H new ATOM 0 HG3 ARG A 97 12.579 -11.200 2.954 1.00 0.00 H new ATOM 0 HD2 ARG A 97 13.527 -8.809 3.258 1.00 0.00 H new ATOM 0 HD3 ARG A 97 12.864 -8.876 4.879 1.00 0.00 H new ATOM 0 HE ARG A 97 15.099 -10.515 3.807 1.00 0.00 H new ATOM 0 HH11 ARG A 97 12.924 -9.798 6.502 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.003 -10.529 7.694 1.00 0.00 H new ATOM 0 HH21 ARG A 97 16.456 -11.399 5.363 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.966 -11.418 7.060 1.00 0.00 H new ATOM 824 N ASN A 98 9.428 -8.122 1.088 1.00 0.00 N ATOM 825 CA ASN A 98 8.621 -6.991 0.634 1.00 0.00 C ATOM 826 C ASN A 98 7.803 -6.393 1.787 1.00 0.00 C ATOM 827 O ASN A 98 7.955 -6.798 2.943 1.00 0.00 O ATOM 828 CB ASN A 98 7.695 -7.439 -0.500 1.00 0.00 C ATOM 829 CG ASN A 98 8.207 -7.032 -1.867 1.00 0.00 C ATOM 830 OD1 ASN A 98 9.280 -6.442 -1.996 1.00 0.00 O ATOM 831 ND2 ASN A 98 7.438 -7.343 -2.898 1.00 0.00 N ATOM 0 H ASN A 98 8.935 -8.760 1.713 1.00 0.00 H new ATOM 0 HA ASN A 98 9.292 -6.215 0.266 1.00 0.00 H new ATOM 0 HB2 ASN A 98 7.583 -8.523 -0.466 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.704 -7.012 -0.345 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.727 -7.093 -3.844 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.556 -7.832 -2.747 1.00 0.00 H new ATOM 838 N ALA A 99 6.939 -5.426 1.467 1.00 0.00 N ATOM 839 CA ALA A 99 6.102 -4.774 2.476 1.00 0.00 C ATOM 840 C ALA A 99 4.613 -4.998 2.191 1.00 0.00 C ATOM 841 O ALA A 99 4.084 -4.506 1.191 1.00 0.00 O ATOM 842 CB ALA A 99 6.425 -3.288 2.534 1.00 0.00 C ATOM 0 H ALA A 99 6.801 -5.078 0.518 1.00 0.00 H new ATOM 0 HA ALA A 99 6.320 -5.220 3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 99 5.799 -2.809 3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.474 -3.154 2.796 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.233 -2.836 1.561 1.00 0.00 H new ATOM 848 N TYR A 100 3.951 -5.749 3.073 1.00 0.00 N ATOM 849 CA TYR A 100 2.523 -6.062 2.925 1.00 0.00 C ATOM 850 C TYR A 100 1.625 -4.831 3.087 1.00 0.00 C ATOM 851 O TYR A 100 2.101 -3.694 3.173 1.00 0.00 O ATOM 852 CB TYR A 100 2.105 -7.119 3.956 1.00 0.00 C ATOM 853 CG TYR A 100 2.320 -8.542 3.494 1.00 0.00 C ATOM 854 CD1 TYR A 100 1.679 -9.026 2.361 1.00 0.00 C ATOM 855 CD2 TYR A 100 3.159 -9.401 4.191 1.00 0.00 C ATOM 856 CE1 TYR A 100 1.867 -10.327 1.936 1.00 0.00 C ATOM 857 CE2 TYR A 100 3.351 -10.705 3.771 1.00 0.00 C ATOM 858 CZ TYR A 100 2.703 -11.160 2.645 1.00 0.00 C ATOM 859 OH TYR A 100 2.890 -12.454 2.226 1.00 0.00 O ATOM 0 H TYR A 100 4.382 -6.155 3.903 1.00 0.00 H new ATOM 0 HA TYR A 100 2.392 -6.440 1.911 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.666 -6.957 4.876 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.051 -6.981 4.197 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.023 -8.375 1.803 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.669 -9.046 5.074 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.361 -10.688 1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 100 4.006 -11.363 4.324 1.00 0.00 H new ATOM 0 HH TYR A 100 3.509 -12.909 2.834 1.00 0.00 H new ATOM 869 N ARG A 101 0.319 -5.099 3.135 1.00 0.00 N ATOM 870 CA ARG A 101 -0.711 -4.079 3.303 1.00 0.00 C ATOM 871 C ARG A 101 -2.097 -4.737 3.208 1.00 0.00 C ATOM 872 O ARG A 101 -2.590 -5.012 2.112 1.00 0.00 O ATOM 873 CB ARG A 101 -0.570 -2.978 2.255 1.00 0.00 C ATOM 874 CG ARG A 101 -0.307 -1.614 2.859 1.00 0.00 C ATOM 875 CD ARG A 101 -1.593 -0.945 3.314 1.00 0.00 C ATOM 876 NE ARG A 101 -1.332 0.368 3.907 1.00 0.00 N ATOM 877 CZ ARG A 101 -2.182 1.386 3.884 1.00 0.00 C ATOM 878 NH1 ARG A 101 -3.361 1.266 3.305 1.00 0.00 N ATOM 879 NH2 ARG A 101 -1.838 2.530 4.432 1.00 0.00 N ATOM 0 H ARG A 101 -0.056 -6.045 3.057 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.593 -3.618 4.284 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.245 -3.232 1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.480 -2.935 1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.370 -1.716 3.707 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.193 -0.981 2.126 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.268 -0.835 2.465 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.098 -1.581 4.042 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.434 0.510 4.370 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -3.627 0.383 2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.006 2.056 3.294 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.923 2.630 4.871 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -2.486 3.317 4.418 1.00 0.00 H new ATOM 893 N GLU A 102 -2.699 -5.036 4.357 1.00 0.00 N ATOM 894 CA GLU A 102 -3.998 -5.719 4.396 1.00 0.00 C ATOM 895 C GLU A 102 -5.198 -4.777 4.336 1.00 0.00 C ATOM 896 O GLU A 102 -5.208 -3.706 4.939 1.00 0.00 O ATOM 897 CB GLU A 102 -4.100 -6.558 5.668 1.00 0.00 C ATOM 898 CG GLU A 102 -4.897 -7.840 5.502 1.00 0.00 C ATOM 899 CD GLU A 102 -4.780 -8.758 6.703 1.00 0.00 C ATOM 900 OE1 GLU A 102 -3.698 -9.353 6.895 1.00 0.00 O ATOM 901 OE2 GLU A 102 -5.767 -8.875 7.454 1.00 0.00 O ATOM 0 H GLU A 102 -2.311 -4.818 5.275 1.00 0.00 H new ATOM 0 HA GLU A 102 -4.035 -6.341 3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.095 -6.809 6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.559 -5.956 6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.946 -7.593 5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.551 -8.366 4.612 1.00 0.00 H new ATOM 908 N CYS A 103 -6.230 -5.227 3.636 1.00 0.00 N ATOM 909 CA CYS A 103 -7.480 -4.481 3.521 1.00 0.00 C ATOM 910 C CYS A 103 -8.557 -5.191 4.340 1.00 0.00 C ATOM 911 O CYS A 103 -8.791 -6.383 4.156 1.00 0.00 O ATOM 912 CB CYS A 103 -7.912 -4.363 2.058 1.00 0.00 C ATOM 913 SG CYS A 103 -9.564 -3.626 1.832 1.00 0.00 S ATOM 0 H CYS A 103 -6.227 -6.115 3.133 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.333 -3.471 3.905 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.180 -3.760 1.521 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.902 -5.355 1.606 1.00 0.00 H new ATOM 918 N LEU A 104 -9.188 -4.463 5.255 1.00 0.00 N ATOM 919 CA LEU A 104 -10.221 -5.030 6.124 1.00 0.00 C ATOM 920 C LEU A 104 -11.535 -5.249 5.390 1.00 0.00 C ATOM 921 O LEU A 104 -12.004 -4.376 4.658 1.00 0.00 O ATOM 922 CB LEU A 104 -10.444 -4.117 7.337 1.00 0.00 C ATOM 923 CG LEU A 104 -10.280 -4.790 8.702 1.00 0.00 C ATOM 924 CD1 LEU A 104 -11.530 -5.574 9.064 1.00 0.00 C ATOM 925 CD2 LEU A 104 -9.062 -5.702 8.712 1.00 0.00 C ATOM 0 H LEU A 104 -9.003 -3.473 5.417 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.867 -6.006 6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.746 -3.282 7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -11.448 -3.698 7.275 1.00 0.00 H new ATOM 0 HG LEU A 104 -10.131 -4.010 9.449 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -11.395 -6.045 10.037 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.384 -4.898 9.104 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.709 -6.342 8.311 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.965 -6.169 9.692 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.179 -6.474 7.952 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.167 -5.117 8.499 1.00 0.00 H new ATOM 937 N GLU A 105 -12.139 -6.418 5.618 1.00 0.00 N ATOM 938 CA GLU A 105 -13.424 -6.763 5.007 1.00 0.00 C ATOM 939 C GLU A 105 -14.442 -5.638 5.210 1.00 0.00 C ATOM 940 O GLU A 105 -15.319 -5.424 4.374 1.00 0.00 O ATOM 941 CB GLU A 105 -13.962 -8.071 5.603 1.00 0.00 C ATOM 942 CG GLU A 105 -14.064 -8.064 7.126 1.00 0.00 C ATOM 943 CD GLU A 105 -15.449 -7.708 7.629 1.00 0.00 C ATOM 944 OE1 GLU A 105 -16.392 -8.485 7.373 1.00 0.00 O ATOM 945 OE2 GLU A 105 -15.591 -6.653 8.281 1.00 0.00 O ATOM 0 H GLU A 105 -11.756 -7.144 6.224 1.00 0.00 H new ATOM 0 HA GLU A 105 -13.267 -6.898 3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.948 -8.270 5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -13.314 -8.892 5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -13.788 -9.047 7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.344 -7.352 7.529 1.00 0.00 H new ATOM 952 N ASN A 106 -14.305 -4.920 6.323 1.00 0.00 N ATOM 953 CA ASN A 106 -15.202 -3.810 6.642 1.00 0.00 C ATOM 954 C ASN A 106 -14.967 -2.611 5.713 1.00 0.00 C ATOM 955 O ASN A 106 -15.870 -1.802 5.499 1.00 0.00 O ATOM 956 CB ASN A 106 -15.020 -3.389 8.104 1.00 0.00 C ATOM 957 CG ASN A 106 -16.328 -3.352 8.867 1.00 0.00 C ATOM 958 OD1 ASN A 106 -16.810 -2.286 9.235 1.00 0.00 O ATOM 959 ND2 ASN A 106 -16.909 -4.516 9.111 1.00 0.00 N ATOM 0 H ASN A 106 -13.580 -5.087 7.021 1.00 0.00 H new ATOM 0 HA ASN A 106 -16.225 -4.153 6.491 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -14.337 -4.082 8.595 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.555 -2.404 8.139 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.791 -4.549 9.623 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -16.475 -5.380 8.787 1.00 0.00 H new ATOM 966 N GLY A 107 -13.756 -2.504 5.157 1.00 0.00 N ATOM 967 CA GLY A 107 -13.434 -1.401 4.260 1.00 0.00 C ATOM 968 C GLY A 107 -12.151 -0.668 4.635 1.00 0.00 C ATOM 969 O GLY A 107 -11.580 0.047 3.809 1.00 0.00 O ATOM 0 H GLY A 107 -12.993 -3.163 5.313 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.340 -1.785 3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.261 -0.691 4.258 1.00 0.00 H new ATOM 973 N THR A 108 -11.693 -0.848 5.878 1.00 0.00 N ATOM 974 CA THR A 108 -10.465 -0.199 6.354 1.00 0.00 C ATOM 975 C THR A 108 -9.230 -1.016 5.969 1.00 0.00 C ATOM 976 O THR A 108 -9.322 -1.987 5.219 1.00 0.00 O ATOM 977 CB THR A 108 -10.519 -0.006 7.877 1.00 0.00 C ATOM 978 OG1 THR A 108 -10.476 -1.252 8.544 1.00 0.00 O ATOM 979 CG2 THR A 108 -11.762 0.719 8.351 1.00 0.00 C ATOM 0 H THR A 108 -12.153 -1.437 6.573 1.00 0.00 H new ATOM 0 HA THR A 108 -10.391 0.778 5.876 1.00 0.00 H new ATOM 0 HB THR A 108 -9.648 0.604 8.116 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.510 -1.106 9.512 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.733 0.820 9.436 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.802 1.708 7.896 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.647 0.151 8.063 1.00 0.00 H new ATOM 987 N TRP A 109 -8.073 -0.615 6.478 1.00 0.00 N ATOM 988 CA TRP A 109 -6.829 -1.321 6.178 1.00 0.00 C ATOM 989 C TRP A 109 -6.166 -1.864 7.447 1.00 0.00 C ATOM 990 O TRP A 109 -6.149 -1.207 8.490 1.00 0.00 O ATOM 991 CB TRP A 109 -5.867 -0.407 5.412 1.00 0.00 C ATOM 992 CG TRP A 109 -6.211 -0.291 3.957 1.00 0.00 C ATOM 993 CD1 TRP A 109 -7.148 0.531 3.401 1.00 0.00 C ATOM 994 CD2 TRP A 109 -5.630 -1.028 2.875 1.00 0.00 C ATOM 995 NE1 TRP A 109 -7.181 0.354 2.039 1.00 0.00 N ATOM 996 CE2 TRP A 109 -6.258 -0.597 1.692 1.00 0.00 C ATOM 997 CE3 TRP A 109 -4.636 -2.007 2.789 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -5.926 -1.114 0.442 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -4.309 -2.519 1.548 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -4.953 -2.071 0.388 1.00 0.00 C ATOM 0 H TRP A 109 -7.967 0.189 7.096 1.00 0.00 H new ATOM 0 HA TRP A 109 -7.076 -2.176 5.548 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -5.878 0.585 5.864 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.852 -0.791 5.511 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -7.772 1.220 3.951 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.793 0.850 1.391 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.132 -2.357 3.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -6.421 -0.770 -0.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -3.544 -3.277 1.471 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -4.675 -2.490 -0.568 1.00 0.00 H new ATOM 1011 N ALA A 110 -5.615 -3.068 7.333 1.00 0.00 N ATOM 1012 CA ALA A 110 -4.933 -3.739 8.439 1.00 0.00 C ATOM 1013 C ALA A 110 -3.625 -4.368 7.948 1.00 0.00 C ATOM 1014 O ALA A 110 -3.244 -4.165 6.797 1.00 0.00 O ATOM 1015 CB ALA A 110 -5.847 -4.796 9.045 1.00 0.00 C ATOM 0 H ALA A 110 -5.628 -3.609 6.469 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.692 -3.006 9.209 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.333 -5.292 9.868 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.755 -4.322 9.417 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -6.107 -5.531 8.284 1.00 0.00 H new ATOM 1021 N SER A 111 -2.939 -5.127 8.818 1.00 0.00 N ATOM 1022 CA SER A 111 -1.670 -5.785 8.454 1.00 0.00 C ATOM 1023 C SER A 111 -0.916 -4.969 7.403 1.00 0.00 C ATOM 1024 O SER A 111 -0.487 -5.486 6.368 1.00 0.00 O ATOM 1025 CB SER A 111 -1.936 -7.199 7.934 1.00 0.00 C ATOM 1026 OG SER A 111 -1.626 -8.175 8.911 1.00 0.00 O ATOM 0 H SER A 111 -3.240 -5.301 9.777 1.00 0.00 H new ATOM 0 HA SER A 111 -1.050 -5.848 9.348 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.983 -7.291 7.645 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.341 -7.377 7.038 1.00 0.00 H new ATOM 0 HG SER A 111 -1.808 -9.068 8.550 1.00 0.00 H new ATOM 1032 N ARG A 112 -0.800 -3.675 7.672 1.00 0.00 N ATOM 1033 CA ARG A 112 -0.142 -2.744 6.763 1.00 0.00 C ATOM 1034 C ARG A 112 1.335 -3.075 6.578 1.00 0.00 C ATOM 1035 O ARG A 112 1.832 -4.081 7.090 1.00 0.00 O ATOM 1036 CB ARG A 112 -0.282 -1.323 7.295 1.00 0.00 C ATOM 1037 CG ARG A 112 0.524 -1.078 8.561 1.00 0.00 C ATOM 1038 CD ARG A 112 -0.341 -0.520 9.680 1.00 0.00 C ATOM 1039 NE ARG A 112 -0.317 0.947 9.695 1.00 0.00 N ATOM 1040 CZ ARG A 112 0.013 1.695 10.748 1.00 0.00 C ATOM 1041 NH1 ARG A 112 0.315 1.145 11.911 1.00 0.00 N ATOM 1042 NH2 ARG A 112 0.032 3.007 10.631 1.00 0.00 N ATOM 0 H ARG A 112 -1.158 -3.242 8.523 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.628 -2.832 5.791 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.038 -0.620 6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.334 -1.118 7.496 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.982 -2.012 8.887 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.335 -0.382 8.347 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.367 -0.867 9.557 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.011 -0.901 10.639 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.572 1.431 8.834 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.298 0.130 12.015 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.565 1.735 12.705 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.205 3.443 9.740 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.283 3.587 11.432 1.00 0.00 H new ATOM 1056 N VAL A 113 2.035 -2.207 5.848 1.00 0.00 N ATOM 1057 CA VAL A 113 3.455 -2.394 5.602 1.00 0.00 C ATOM 1058 C VAL A 113 4.187 -2.745 6.899 1.00 0.00 C ATOM 1059 O VAL A 113 4.218 -1.956 7.846 1.00 0.00 O ATOM 1060 CB VAL A 113 4.102 -1.146 4.963 1.00 0.00 C ATOM 1061 CG1 VAL A 113 3.686 0.124 5.692 1.00 0.00 C ATOM 1062 CG2 VAL A 113 5.614 -1.275 4.943 1.00 0.00 C ATOM 0 H VAL A 113 1.638 -1.371 5.420 1.00 0.00 H new ATOM 0 HA VAL A 113 3.548 -3.220 4.897 1.00 0.00 H new ATOM 0 HB VAL A 113 3.747 -1.077 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.157 0.986 5.219 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.602 0.232 5.645 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.000 0.065 6.734 1.00 0.00 H new ATOM 0 HG21 VAL A 113 6.049 -0.385 4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 113 5.984 -1.379 5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.897 -2.153 4.363 1.00 0.00 H new ATOM 1072 N ASN A 114 4.756 -3.942 6.934 1.00 0.00 N ATOM 1073 CA ASN A 114 5.473 -4.417 8.114 1.00 0.00 C ATOM 1074 C ASN A 114 6.780 -3.652 8.321 1.00 0.00 C ATOM 1075 O ASN A 114 7.079 -3.217 9.433 1.00 0.00 O ATOM 1076 CB ASN A 114 5.751 -5.919 7.999 1.00 0.00 C ATOM 1077 CG ASN A 114 5.409 -6.673 9.268 1.00 0.00 C ATOM 1078 OD1 ASN A 114 6.280 -7.261 9.903 1.00 0.00 O ATOM 1079 ND2 ASN A 114 4.139 -6.664 9.645 1.00 0.00 N ATOM 0 H ASN A 114 4.736 -4.604 6.159 1.00 0.00 H new ATOM 0 HA ASN A 114 4.839 -4.237 8.983 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.174 -6.329 7.170 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.804 -6.073 7.762 1.00 0.00 H new ATOM 0 HD21 ASN A 114 3.855 -7.158 10.491 1.00 0.00 H new ATOM 0 HD22 ASN A 114 3.446 -6.163 9.089 1.00 0.00 H new ATOM 1086 N TYR A 115 7.552 -3.490 7.246 1.00 0.00 N ATOM 1087 CA TYR A 115 8.831 -2.779 7.299 1.00 0.00 C ATOM 1088 C TYR A 115 9.871 -3.566 8.104 1.00 0.00 C ATOM 1089 O TYR A 115 10.916 -3.946 7.573 1.00 0.00 O ATOM 1090 CB TYR A 115 8.640 -1.380 7.897 1.00 0.00 C ATOM 1091 CG TYR A 115 8.717 -0.263 6.877 1.00 0.00 C ATOM 1092 CD1 TYR A 115 9.835 -0.112 6.067 1.00 0.00 C ATOM 1093 CD2 TYR A 115 7.672 0.638 6.729 1.00 0.00 C ATOM 1094 CE1 TYR A 115 9.907 0.907 5.136 1.00 0.00 C ATOM 1095 CE2 TYR A 115 7.737 1.658 5.799 1.00 0.00 C ATOM 1096 CZ TYR A 115 8.856 1.788 5.008 1.00 0.00 C ATOM 1097 OH TYR A 115 8.922 2.800 4.083 1.00 0.00 O ATOM 0 H TYR A 115 7.312 -3.845 6.320 1.00 0.00 H new ATOM 0 HA TYR A 115 9.202 -2.678 6.279 1.00 0.00 H new ATOM 0 HB2 TYR A 115 7.672 -1.338 8.396 1.00 0.00 H new ATOM 0 HB3 TYR A 115 9.400 -1.215 8.661 1.00 0.00 H new ATOM 0 HD1 TYR A 115 10.661 -0.801 6.166 1.00 0.00 H new ATOM 0 HD2 TYR A 115 6.794 0.540 7.350 1.00 0.00 H new ATOM 0 HE1 TYR A 115 10.782 1.012 4.512 1.00 0.00 H new ATOM 0 HE2 TYR A 115 6.914 2.350 5.693 1.00 0.00 H new ATOM 0 HH TYR A 115 9.648 2.618 3.450 1.00 0.00 H new ATOM 1107 N SER A 116 9.574 -3.813 9.382 1.00 0.00 N ATOM 1108 CA SER A 116 10.476 -4.559 10.268 1.00 0.00 C ATOM 1109 C SER A 116 10.916 -5.885 9.641 1.00 0.00 C ATOM 1110 O SER A 116 12.100 -6.218 9.653 1.00 0.00 O ATOM 1111 CB SER A 116 9.800 -4.823 11.620 1.00 0.00 C ATOM 1112 OG SER A 116 9.231 -3.636 12.155 1.00 0.00 O ATOM 0 H SER A 116 8.711 -3.506 9.830 1.00 0.00 H new ATOM 0 HA SER A 116 11.364 -3.946 10.421 1.00 0.00 H new ATOM 0 HB2 SER A 116 9.023 -5.578 11.499 1.00 0.00 H new ATOM 0 HB3 SER A 116 10.530 -5.226 12.321 1.00 0.00 H new ATOM 0 HG SER A 116 8.806 -3.836 13.015 1.00 0.00 H new ATOM 1118 N HIS A 117 9.957 -6.632 9.087 1.00 0.00 N ATOM 1119 CA HIS A 117 10.247 -7.925 8.449 1.00 0.00 C ATOM 1120 C HIS A 117 11.219 -7.788 7.265 1.00 0.00 C ATOM 1121 O HIS A 117 11.768 -8.789 6.791 1.00 0.00 O ATOM 1122 CB HIS A 117 8.949 -8.589 7.980 1.00 0.00 C ATOM 1123 CG HIS A 117 8.438 -9.633 8.922 1.00 0.00 C ATOM 1124 ND1 HIS A 117 7.442 -9.389 9.841 1.00 0.00 N ATOM 1125 CD2 HIS A 117 8.791 -10.929 9.088 1.00 0.00 C ATOM 1126 CE1 HIS A 117 7.203 -10.488 10.533 1.00 0.00 C ATOM 1127 NE2 HIS A 117 8.008 -11.439 10.094 1.00 0.00 N ATOM 0 H HIS A 117 8.972 -6.366 9.066 1.00 0.00 H new ATOM 0 HA HIS A 117 10.730 -8.550 9.200 1.00 0.00 H new ATOM 0 HB2 HIS A 117 8.185 -7.823 7.850 1.00 0.00 H new ATOM 0 HB3 HIS A 117 9.115 -9.043 7.003 1.00 0.00 H new ATOM 0 HD1 HIS A 117 6.963 -8.497 9.968 1.00 0.00 H new ATOM 0 HD2 HIS A 117 9.548 -11.463 8.532 1.00 0.00 H new ATOM 0 HE1 HIS A 117 6.474 -10.592 11.323 1.00 0.00 H new ATOM 1136 N CYS A 118 11.438 -6.556 6.790 1.00 0.00 N ATOM 1137 CA CYS A 118 12.349 -6.319 5.672 1.00 0.00 C ATOM 1138 C CYS A 118 13.800 -6.583 6.077 1.00 0.00 C ATOM 1139 O CYS A 118 14.510 -7.279 5.367 1.00 0.00 O ATOM 1140 CB CYS A 118 12.205 -4.888 5.141 1.00 0.00 C ATOM 1141 SG CYS A 118 12.569 -4.715 3.363 1.00 0.00 S ATOM 0 H CYS A 118 10.998 -5.714 7.162 1.00 0.00 H new ATOM 0 HA CYS A 118 12.080 -7.015 4.877 1.00 0.00 H new ATOM 0 HB2 CYS A 118 11.188 -4.543 5.328 1.00 0.00 H new ATOM 0 HB3 CYS A 118 12.872 -4.234 5.703 1.00 0.00 H new ATOM 1146 N GLU A 119 14.215 -6.035 7.229 1.00 0.00 N ATOM 1147 CA GLU A 119 15.568 -6.203 7.758 1.00 0.00 C ATOM 1148 C GLU A 119 16.625 -5.482 6.918 1.00 0.00 C ATOM 1149 O GLU A 119 16.566 -5.479 5.687 1.00 0.00 O ATOM 1150 CB GLU A 119 15.923 -7.680 7.869 1.00 0.00 C ATOM 1151 CG GLU A 119 15.064 -8.440 8.870 1.00 0.00 C ATOM 1152 CD GLU A 119 15.719 -9.711 9.378 1.00 0.00 C ATOM 1153 OE1 GLU A 119 15.660 -10.737 8.664 1.00 0.00 O ATOM 1154 OE2 GLU A 119 16.280 -9.684 10.492 1.00 0.00 O ATOM 0 H GLU A 119 13.614 -5.460 7.820 1.00 0.00 H new ATOM 0 HA GLU A 119 15.570 -5.749 8.749 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.820 -8.144 6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 119 16.970 -7.773 8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 119 14.843 -7.790 9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.111 -8.691 8.404 1.00 0.00 H new ATOM 1161 N PRO A 120 17.626 -4.871 7.585 1.00 0.00 N ATOM 1162 CA PRO A 120 18.714 -4.160 6.914 1.00 0.00 C ATOM 1163 C PRO A 120 19.897 -5.088 6.604 1.00 0.00 C ATOM 1164 O PRO A 120 19.737 -6.308 6.547 1.00 0.00 O ATOM 1165 CB PRO A 120 19.090 -3.119 7.969 1.00 0.00 C ATOM 1166 CG PRO A 120 18.895 -3.825 9.269 1.00 0.00 C ATOM 1167 CD PRO A 120 17.789 -4.835 9.052 1.00 0.00 C ATOM 0 HA PRO A 120 18.435 -3.741 5.947 1.00 0.00 H new ATOM 0 HB2 PRO A 120 20.120 -2.785 7.848 1.00 0.00 H new ATOM 0 HB3 PRO A 120 18.457 -2.234 7.898 1.00 0.00 H new ATOM 0 HG2 PRO A 120 19.814 -4.319 9.583 1.00 0.00 H new ATOM 0 HG3 PRO A 120 18.627 -3.120 10.056 1.00 0.00 H new ATOM 0 HD2 PRO A 120 18.058 -5.814 9.448 1.00 0.00 H new ATOM 0 HD3 PRO A 120 16.868 -4.532 9.549 1.00 0.00 H new ATOM 1175 N ILE A 121 21.081 -4.512 6.419 1.00 0.00 N ATOM 1176 CA ILE A 121 22.281 -5.301 6.137 1.00 0.00 C ATOM 1177 C ILE A 121 22.805 -5.970 7.415 1.00 0.00 C ATOM 1178 O ILE A 121 22.652 -5.375 8.508 1.00 0.00 O ATOM 1179 CB ILE A 121 23.388 -4.426 5.497 1.00 0.00 C ATOM 1180 CG1 ILE A 121 24.143 -5.203 4.413 1.00 0.00 C ATOM 1181 CG2 ILE A 121 24.351 -3.894 6.548 1.00 0.00 C ATOM 1182 CD1 ILE A 121 24.909 -6.397 4.933 1.00 0.00 C ATOM 0 H ILE A 121 21.238 -3.505 6.459 1.00 0.00 H new ATOM 0 HA ILE A 121 22.006 -6.079 5.424 1.00 0.00 H new ATOM 0 HB ILE A 121 22.901 -3.571 5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 121 23.431 -5.541 3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 121 24.838 -4.528 3.914 1.00 0.00 H new ATOM 0 HG21 ILE A 121 25.115 -3.284 6.066 1.00 0.00 H new ATOM 0 HG22 ILE A 121 23.804 -3.287 7.269 1.00 0.00 H new ATOM 0 HG23 ILE A 121 24.825 -4.729 7.063 1.00 0.00 H new ATOM 0 HD11 ILE A 121 25.415 -6.893 4.105 1.00 0.00 H new ATOM 0 HD12 ILE A 121 25.647 -6.066 5.664 1.00 0.00 H new ATOM 0 HD13 ILE A 121 24.218 -7.095 5.406 1.00 0.00 H new TER 1194 ILE A 121