USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 923 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 89 SER OG : rot -136:sc= 0.0517 USER MOD Set 1.2: A 109 TYR OH : rot 0:sc= 0.433 USER MOD Set 2.1: A 22 TYR OH : rot 67:sc= -2.17 USER MOD Set 2.2: A 26 LYS NZ :NH3+ 152:sc= 0.469 (180deg=0.269) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -141:sc= -3.7! (180deg=-7.27!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= -0.503 (180deg=-1.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.285 X(o=-0.29,f=-0.52) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -8.06! C(o=-8.1!,f=-15!) USER MOD Single : A 46 HIS : no HE2:sc= -0.0351 X(o=-0.035,f=-0.11) USER MOD Single : A 47 CYS SG : rot -104:sc= 0.27 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 52 CYS SG : rot 180:sc= -1.14 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.348 X(o=0.35,f=-0.018) USER MOD Single : A 61 GLN : amide:sc= -0.0532 K(o=-0.053,f=-1.8!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -3.47! C(o=-3.5!,f=-7.5!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -165:sc= -0.0118 (180deg=-0.42) USER MOD Single : A 74 SER OG : rot -68:sc= 0.814 USER MOD Single : A 75 SER OG : rot 41:sc= 0.918 USER MOD Single : A 78 ASN : amide:sc= -0.12 K(o=-0.12,f=-1!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.0846 X(o=0.085,f=-0.028) USER MOD Single : A 88 MET CE :methyl 180:sc= -0.307 (180deg=-0.307) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc=-0.00765 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 104 ASN : amide:sc= -0.0916 X(o=-0.092,f=-0.53) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -170:sc= 0 USER MOD Single : A 118 CYS SG : rot 19:sc= 0.205 USER MOD Single : A 121 ASN : amide:sc= 0.157 X(o=0.16,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.130 9.223 15.671 1.00 0.00 N ATOM 2 CA GLY A 1 6.523 10.522 16.184 1.00 0.00 C ATOM 3 C GLY A 1 7.420 11.278 15.224 1.00 0.00 C ATOM 4 O GLY A 1 7.006 11.620 14.116 1.00 0.00 O ATOM 0 H1 GLY A 1 5.518 8.747 16.364 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.612 9.345 14.778 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.978 8.645 15.503 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.631 11.115 16.386 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.041 10.392 17.134 1.00 0.00 H new ATOM 8 N SER A 2 8.652 11.539 15.649 1.00 0.00 N ATOM 9 CA SER A 2 9.609 12.264 14.821 1.00 0.00 C ATOM 10 C SER A 2 9.097 13.665 14.500 1.00 0.00 C ATOM 11 O SER A 2 9.227 14.142 13.372 1.00 0.00 O ATOM 12 CB SER A 2 9.877 11.497 13.525 1.00 0.00 C ATOM 13 OG SER A 2 11.187 11.747 13.046 1.00 0.00 O ATOM 0 H SER A 2 9.011 11.259 16.562 1.00 0.00 H new ATOM 0 HA SER A 2 10.540 12.356 15.380 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.747 10.429 13.698 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.148 11.789 12.769 1.00 0.00 H new ATOM 0 HG SER A 2 11.334 11.244 12.218 1.00 0.00 H new ATOM 19 N SER A 3 8.515 14.320 15.500 1.00 0.00 N ATOM 20 CA SER A 3 7.980 15.665 15.324 1.00 0.00 C ATOM 21 C SER A 3 8.323 16.546 16.521 1.00 0.00 C ATOM 22 O SER A 3 8.588 16.051 17.616 1.00 0.00 O ATOM 23 CB SER A 3 6.463 15.612 15.134 1.00 0.00 C ATOM 24 OG SER A 3 5.986 16.794 14.514 1.00 0.00 O ATOM 0 H SER A 3 8.402 13.941 16.440 1.00 0.00 H new ATOM 0 HA SER A 3 8.436 16.098 14.433 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.199 14.747 14.526 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.976 15.483 16.101 1.00 0.00 H new ATOM 0 HG SER A 3 5.014 16.735 14.402 1.00 0.00 H new ATOM 30 N GLY A 4 8.317 17.858 16.303 1.00 0.00 N ATOM 31 CA GLY A 4 8.630 18.789 17.372 1.00 0.00 C ATOM 32 C GLY A 4 9.880 19.597 17.090 1.00 0.00 C ATOM 33 O GLY A 4 10.965 19.261 17.564 1.00 0.00 O ATOM 0 H GLY A 4 8.101 18.292 15.406 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.789 19.466 17.517 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.760 18.238 18.303 1.00 0.00 H new ATOM 37 N SER A 5 9.730 20.666 16.313 1.00 0.00 N ATOM 38 CA SER A 5 10.858 21.521 15.964 1.00 0.00 C ATOM 39 C SER A 5 10.383 22.926 15.604 1.00 0.00 C ATOM 40 O SER A 5 9.218 23.132 15.266 1.00 0.00 O ATOM 41 CB SER A 5 11.639 20.920 14.794 1.00 0.00 C ATOM 42 OG SER A 5 10.931 21.073 13.576 1.00 0.00 O ATOM 0 H SER A 5 8.839 20.960 15.914 1.00 0.00 H new ATOM 0 HA SER A 5 11.513 21.588 16.832 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.612 21.404 14.716 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.823 19.862 14.981 1.00 0.00 H new ATOM 0 HG SER A 5 11.452 20.682 12.844 1.00 0.00 H new ATOM 48 N SER A 6 11.296 23.890 15.680 1.00 0.00 N ATOM 49 CA SER A 6 10.971 25.276 15.367 1.00 0.00 C ATOM 50 C SER A 6 11.143 25.551 13.876 1.00 0.00 C ATOM 51 O SER A 6 12.181 25.242 13.292 1.00 0.00 O ATOM 52 CB SER A 6 11.856 26.225 16.177 1.00 0.00 C ATOM 53 OG SER A 6 11.582 26.119 17.563 1.00 0.00 O ATOM 0 H SER A 6 12.266 23.736 15.956 1.00 0.00 H new ATOM 0 HA SER A 6 9.928 25.447 15.633 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.905 25.996 15.992 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.691 27.251 15.848 1.00 0.00 H new ATOM 0 HG SER A 6 12.162 26.734 18.059 1.00 0.00 H new ATOM 59 N GLY A 7 10.116 26.134 13.265 1.00 0.00 N ATOM 60 CA GLY A 7 10.172 26.441 11.848 1.00 0.00 C ATOM 61 C GLY A 7 10.276 25.197 10.989 1.00 0.00 C ATOM 62 O GLY A 7 11.259 25.010 10.272 1.00 0.00 O ATOM 0 H GLY A 7 9.246 26.399 13.727 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.280 27.001 11.565 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.029 27.086 11.653 1.00 0.00 H new ATOM 66 N ARG A 8 9.261 24.342 11.063 1.00 0.00 N ATOM 67 CA ARG A 8 9.245 23.107 10.288 1.00 0.00 C ATOM 68 C ARG A 8 9.208 23.404 8.792 1.00 0.00 C ATOM 69 O ARG A 8 8.444 24.256 8.337 1.00 0.00 O ATOM 70 CB ARG A 8 8.039 22.251 10.679 1.00 0.00 C ATOM 71 CG ARG A 8 6.706 22.960 10.503 1.00 0.00 C ATOM 72 CD ARG A 8 5.574 22.189 11.164 1.00 0.00 C ATOM 73 NE ARG A 8 4.274 22.807 10.917 1.00 0.00 N ATOM 74 CZ ARG A 8 3.546 22.579 9.830 1.00 0.00 C ATOM 75 NH1 ARG A 8 3.989 21.750 8.894 1.00 0.00 N ATOM 76 NH2 ARG A 8 2.373 23.179 9.677 1.00 0.00 N ATOM 0 H ARG A 8 8.440 24.482 11.651 1.00 0.00 H new ATOM 0 HA ARG A 8 10.160 22.557 10.509 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.039 21.342 10.078 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.144 21.945 11.720 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.765 23.960 10.932 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.494 23.080 9.441 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.566 21.165 10.790 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.751 22.134 12.238 1.00 0.00 H new ATOM 0 HE ARG A 8 3.905 23.449 11.618 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.890 21.286 9.008 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.428 21.576 8.060 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.029 23.817 10.395 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.815 23.003 8.841 1.00 0.00 H new ATOM 90 N SER A 9 10.038 22.697 8.032 1.00 0.00 N ATOM 91 CA SER A 9 10.103 22.888 6.588 1.00 0.00 C ATOM 92 C SER A 9 9.254 21.848 5.863 1.00 0.00 C ATOM 93 O SER A 9 8.698 20.942 6.485 1.00 0.00 O ATOM 94 CB SER A 9 11.553 22.805 6.106 1.00 0.00 C ATOM 95 OG SER A 9 12.276 23.971 6.461 1.00 0.00 O ATOM 0 H SER A 9 10.675 21.987 8.392 1.00 0.00 H new ATOM 0 HA SER A 9 9.707 23.878 6.359 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.034 21.929 6.540 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.573 22.676 5.024 1.00 0.00 H new ATOM 0 HG SER A 9 13.200 23.893 6.143 1.00 0.00 H new ATOM 101 N ILE A 10 9.159 21.985 4.545 1.00 0.00 N ATOM 102 CA ILE A 10 8.379 21.057 3.735 1.00 0.00 C ATOM 103 C ILE A 10 9.184 20.561 2.539 1.00 0.00 C ATOM 104 O ILE A 10 9.498 21.327 1.628 1.00 0.00 O ATOM 105 CB ILE A 10 7.078 21.707 3.230 1.00 0.00 C ATOM 106 CG1 ILE A 10 6.387 22.465 4.365 1.00 0.00 C ATOM 107 CG2 ILE A 10 6.150 20.652 2.648 1.00 0.00 C ATOM 108 CD1 ILE A 10 6.904 23.874 4.554 1.00 0.00 C ATOM 0 H ILE A 10 9.612 22.729 4.015 1.00 0.00 H new ATOM 0 HA ILE A 10 8.128 20.212 4.376 1.00 0.00 H new ATOM 0 HB ILE A 10 7.327 22.418 2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.316 22.503 4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.519 21.911 5.294 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.235 21.127 2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.644 20.153 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.905 19.919 3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.369 24.351 5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.969 23.843 4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.747 24.445 3.639 1.00 0.00 H new ATOM 120 N ARG A 11 9.514 19.273 2.547 1.00 0.00 N ATOM 121 CA ARG A 11 10.282 18.674 1.463 1.00 0.00 C ATOM 122 C ARG A 11 9.358 18.144 0.370 1.00 0.00 C ATOM 123 O ARG A 11 9.622 18.319 -0.820 1.00 0.00 O ATOM 124 CB ARG A 11 11.160 17.541 1.997 1.00 0.00 C ATOM 125 CG ARG A 11 12.156 17.989 3.055 1.00 0.00 C ATOM 126 CD ARG A 11 13.208 18.919 2.472 1.00 0.00 C ATOM 127 NE ARG A 11 14.082 19.471 3.504 1.00 0.00 N ATOM 128 CZ ARG A 11 15.073 20.319 3.251 1.00 0.00 C ATOM 129 NH1 ARG A 11 15.314 20.710 2.007 1.00 0.00 N ATOM 130 NH2 ARG A 11 15.825 20.778 4.243 1.00 0.00 N ATOM 0 H ARG A 11 9.261 18.625 3.293 1.00 0.00 H new ATOM 0 HA ARG A 11 10.919 19.447 1.033 1.00 0.00 H new ATOM 0 HB2 ARG A 11 10.521 16.765 2.417 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.703 17.091 1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.627 18.496 3.862 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.642 17.116 3.491 1.00 0.00 H new ATOM 0 HD2 ARG A 11 13.808 18.376 1.742 1.00 0.00 H new ATOM 0 HD3 ARG A 11 12.717 19.733 1.939 1.00 0.00 H new ATOM 0 HE ARG A 11 13.923 19.190 4.472 1.00 0.00 H new ATOM 0 HH11 ARG A 11 14.738 20.360 1.242 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.075 21.361 1.816 1.00 0.00 H new ATOM 0 HH21 ARG A 11 15.643 20.480 5.201 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.586 21.429 4.047 1.00 0.00 H new ATOM 144 N LEU A 12 8.274 17.496 0.783 1.00 0.00 N ATOM 145 CA LEU A 12 7.310 16.940 -0.160 1.00 0.00 C ATOM 146 C LEU A 12 6.678 18.041 -1.006 1.00 0.00 C ATOM 147 O LEU A 12 6.654 19.212 -0.627 1.00 0.00 O ATOM 148 CB LEU A 12 6.222 16.168 0.588 1.00 0.00 C ATOM 149 CG LEU A 12 6.589 14.752 1.034 1.00 0.00 C ATOM 150 CD1 LEU A 12 6.920 13.883 -0.169 1.00 0.00 C ATOM 151 CD2 LEU A 12 7.759 14.786 2.007 1.00 0.00 C ATOM 0 H LEU A 12 8.041 17.343 1.764 1.00 0.00 H new ATOM 0 HA LEU A 12 7.841 16.257 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.938 16.743 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.341 16.109 -0.052 1.00 0.00 H new ATOM 0 HG LEU A 12 5.729 14.318 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.179 12.879 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.055 13.832 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.764 14.314 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.007 13.770 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.623 15.239 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.486 15.373 2.884 1.00 0.00 H new ATOM 163 N PRO A 13 6.152 17.658 -2.179 1.00 0.00 N ATOM 164 CA PRO A 13 5.507 18.598 -3.102 1.00 0.00 C ATOM 165 C PRO A 13 4.179 19.119 -2.564 1.00 0.00 C ATOM 166 O PRO A 13 3.157 18.438 -2.645 1.00 0.00 O ATOM 167 CB PRO A 13 5.282 17.758 -4.362 1.00 0.00 C ATOM 168 CG PRO A 13 5.215 16.352 -3.874 1.00 0.00 C ATOM 169 CD PRO A 13 6.145 16.279 -2.694 1.00 0.00 C ATOM 0 HA PRO A 13 6.114 19.488 -3.269 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.361 18.045 -4.870 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.095 17.891 -5.076 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.198 16.087 -3.586 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.518 15.653 -4.654 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.789 15.572 -1.945 1.00 0.00 H new ATOM 0 HD3 PRO A 13 7.143 15.955 -2.989 1.00 0.00 H new ATOM 177 N GLU A 14 4.202 20.329 -2.016 1.00 0.00 N ATOM 178 CA GLU A 14 2.998 20.941 -1.465 1.00 0.00 C ATOM 179 C GLU A 14 1.861 20.915 -2.482 1.00 0.00 C ATOM 180 O GLU A 14 0.685 20.926 -2.116 1.00 0.00 O ATOM 181 CB GLU A 14 3.281 22.382 -1.035 1.00 0.00 C ATOM 182 CG GLU A 14 3.660 23.297 -2.188 1.00 0.00 C ATOM 183 CD GLU A 14 4.139 24.657 -1.720 1.00 0.00 C ATOM 184 OE1 GLU A 14 4.815 24.720 -0.672 1.00 0.00 O ATOM 185 OE2 GLU A 14 3.838 25.659 -2.402 1.00 0.00 O ATOM 0 H GLU A 14 5.040 20.905 -1.941 1.00 0.00 H new ATOM 0 HA GLU A 14 2.695 20.363 -0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.398 22.784 -0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.087 22.382 -0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.444 22.824 -2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.799 23.425 -2.844 1.00 0.00 H new ATOM 192 N THR A 15 2.219 20.882 -3.761 1.00 0.00 N ATOM 193 CA THR A 15 1.231 20.858 -4.832 1.00 0.00 C ATOM 194 C THR A 15 0.636 19.464 -4.998 1.00 0.00 C ATOM 195 O THR A 15 -0.084 19.198 -5.962 1.00 0.00 O ATOM 196 CB THR A 15 1.843 21.305 -6.173 1.00 0.00 C ATOM 197 OG1 THR A 15 2.899 20.415 -6.551 1.00 0.00 O ATOM 198 CG2 THR A 15 2.382 22.725 -6.074 1.00 0.00 C ATOM 0 H THR A 15 3.187 20.871 -4.081 1.00 0.00 H new ATOM 0 HA THR A 15 0.443 21.557 -4.551 1.00 0.00 H new ATOM 0 HB THR A 15 1.060 21.281 -6.931 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.281 20.705 -7.405 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.809 23.020 -7.032 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.571 23.405 -5.814 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.153 22.769 -5.304 1.00 0.00 H new ATOM 206 N ILE A 16 0.939 18.580 -4.054 1.00 0.00 N ATOM 207 CA ILE A 16 0.431 17.214 -4.097 1.00 0.00 C ATOM 208 C ILE A 16 0.080 16.715 -2.699 1.00 0.00 C ATOM 209 O ILE A 16 0.619 17.197 -1.703 1.00 0.00 O ATOM 210 CB ILE A 16 1.454 16.253 -4.731 1.00 0.00 C ATOM 211 CG1 ILE A 16 2.040 16.866 -6.005 1.00 0.00 C ATOM 212 CG2 ILE A 16 0.803 14.911 -5.034 1.00 0.00 C ATOM 213 CD1 ILE A 16 3.165 16.052 -6.604 1.00 0.00 C ATOM 0 H ILE A 16 1.533 18.785 -3.251 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.469 17.230 -4.712 1.00 0.00 H new ATOM 0 HB ILE A 16 2.265 16.090 -4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.247 16.974 -6.745 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.406 17.868 -5.781 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.539 14.243 -5.482 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.428 14.471 -4.110 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.025 15.057 -5.728 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.532 16.546 -7.504 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.976 15.965 -5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.799 15.058 -6.859 1.00 0.00 H new ATOM 225 N ASP A 17 -0.825 15.744 -2.634 1.00 0.00 N ATOM 226 CA ASP A 17 -1.246 15.176 -1.358 1.00 0.00 C ATOM 227 C ASP A 17 -1.077 13.660 -1.356 1.00 0.00 C ATOM 228 O ASP A 17 -1.725 12.951 -2.127 1.00 0.00 O ATOM 229 CB ASP A 17 -2.704 15.540 -1.071 1.00 0.00 C ATOM 230 CG ASP A 17 -3.043 15.447 0.404 1.00 0.00 C ATOM 231 OD1 ASP A 17 -2.297 16.024 1.222 1.00 0.00 O ATOM 232 OD2 ASP A 17 -4.055 14.796 0.740 1.00 0.00 O ATOM 0 H ASP A 17 -1.281 15.334 -3.449 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.614 15.595 -0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.899 16.553 -1.423 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.359 14.876 -1.634 1.00 0.00 H new ATOM 237 N LEU A 18 -0.201 13.169 -0.486 1.00 0.00 N ATOM 238 CA LEU A 18 0.055 11.737 -0.383 1.00 0.00 C ATOM 239 C LEU A 18 -1.252 10.951 -0.347 1.00 0.00 C ATOM 240 O LEU A 18 -1.425 9.980 -1.082 1.00 0.00 O ATOM 241 CB LEU A 18 0.880 11.434 0.869 1.00 0.00 C ATOM 242 CG LEU A 18 2.398 11.421 0.685 1.00 0.00 C ATOM 243 CD1 LEU A 18 3.097 11.733 1.999 1.00 0.00 C ATOM 244 CD2 LEU A 18 2.858 10.077 0.141 1.00 0.00 C ATOM 0 H LEU A 18 0.344 13.742 0.158 1.00 0.00 H new ATOM 0 HA LEU A 18 0.618 11.430 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.633 12.173 1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.573 10.463 1.256 1.00 0.00 H new ATOM 0 HG LEU A 18 2.664 12.193 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.177 11.719 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.792 12.719 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.825 10.984 2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.941 10.086 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.580 9.287 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.384 9.893 -0.823 1.00 0.00 H new ATOM 256 N GLY A 19 -2.171 11.380 0.513 1.00 0.00 N ATOM 257 CA GLY A 19 -3.452 10.707 0.627 1.00 0.00 C ATOM 258 C GLY A 19 -4.091 10.444 -0.722 1.00 0.00 C ATOM 259 O GLY A 19 -4.519 9.326 -1.006 1.00 0.00 O ATOM 0 H GLY A 19 -2.051 12.181 1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.317 9.761 1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.125 11.314 1.232 1.00 0.00 H new ATOM 263 N ALA A 20 -4.158 11.477 -1.555 1.00 0.00 N ATOM 264 CA ALA A 20 -4.749 11.352 -2.881 1.00 0.00 C ATOM 265 C ALA A 20 -3.949 10.388 -3.750 1.00 0.00 C ATOM 266 O ALA A 20 -4.515 9.646 -4.555 1.00 0.00 O ATOM 267 CB ALA A 20 -4.841 12.717 -3.549 1.00 0.00 C ATOM 0 H ALA A 20 -3.810 12.410 -1.335 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.755 10.947 -2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.284 12.609 -4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.462 13.377 -2.944 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.843 13.144 -3.643 1.00 0.00 H new ATOM 273 N LEU A 21 -2.632 10.404 -3.584 1.00 0.00 N ATOM 274 CA LEU A 21 -1.753 9.531 -4.355 1.00 0.00 C ATOM 275 C LEU A 21 -2.020 8.065 -4.029 1.00 0.00 C ATOM 276 O LEU A 21 -2.238 7.249 -4.925 1.00 0.00 O ATOM 277 CB LEU A 21 -0.288 9.869 -4.071 1.00 0.00 C ATOM 278 CG LEU A 21 0.744 9.197 -4.977 1.00 0.00 C ATOM 279 CD1 LEU A 21 0.168 7.932 -5.595 1.00 0.00 C ATOM 280 CD2 LEU A 21 1.209 10.158 -6.061 1.00 0.00 C ATOM 0 H LEU A 21 -2.148 11.012 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.958 9.693 -5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.163 10.949 -4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.067 9.598 -3.039 1.00 0.00 H new ATOM 0 HG LEU A 21 1.606 8.921 -4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.916 7.467 -6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.114 7.237 -4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.711 8.184 -6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.943 9.662 -6.696 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.355 10.466 -6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.662 11.035 -5.599 1.00 0.00 H new ATOM 292 N TYR A 22 -2.004 7.738 -2.742 1.00 0.00 N ATOM 293 CA TYR A 22 -2.244 6.370 -2.298 1.00 0.00 C ATOM 294 C TYR A 22 -3.547 5.829 -2.880 1.00 0.00 C ATOM 295 O TYR A 22 -3.657 4.641 -3.187 1.00 0.00 O ATOM 296 CB TYR A 22 -2.291 6.308 -0.770 1.00 0.00 C ATOM 297 CG TYR A 22 -2.989 5.078 -0.235 1.00 0.00 C ATOM 298 CD1 TYR A 22 -2.384 3.829 -0.301 1.00 0.00 C ATOM 299 CD2 TYR A 22 -4.253 5.165 0.336 1.00 0.00 C ATOM 300 CE1 TYR A 22 -3.018 2.702 0.186 1.00 0.00 C ATOM 301 CE2 TYR A 22 -4.893 4.044 0.826 1.00 0.00 C ATOM 302 CZ TYR A 22 -4.272 2.815 0.749 1.00 0.00 C ATOM 303 OH TYR A 22 -4.907 1.695 1.236 1.00 0.00 O ATOM 0 H TYR A 22 -1.827 8.401 -1.988 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.422 5.750 -2.655 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.273 6.335 -0.382 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.799 7.196 -0.394 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.402 3.737 -0.740 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.743 6.126 0.397 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.534 1.738 0.126 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.875 4.129 1.267 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.421 1.357 2.017 1.00 0.00 H new ATOM 313 N LEU A 23 -4.530 6.709 -3.030 1.00 0.00 N ATOM 314 CA LEU A 23 -5.826 6.322 -3.576 1.00 0.00 C ATOM 315 C LEU A 23 -5.705 5.940 -5.048 1.00 0.00 C ATOM 316 O LEU A 23 -6.355 5.004 -5.512 1.00 0.00 O ATOM 317 CB LEU A 23 -6.831 7.464 -3.415 1.00 0.00 C ATOM 318 CG LEU A 23 -7.333 7.721 -1.994 1.00 0.00 C ATOM 319 CD1 LEU A 23 -8.014 9.078 -1.906 1.00 0.00 C ATOM 320 CD2 LEU A 23 -8.283 6.616 -1.555 1.00 0.00 C ATOM 0 H LEU A 23 -4.455 7.695 -2.781 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.181 5.453 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.373 8.380 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.692 7.256 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.475 7.723 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.365 9.244 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.304 9.860 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.862 9.105 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.630 6.816 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.138 6.581 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.763 5.658 -1.578 1.00 0.00 H new ATOM 332 N SER A 24 -4.866 6.670 -5.776 1.00 0.00 N ATOM 333 CA SER A 24 -4.660 6.409 -7.196 1.00 0.00 C ATOM 334 C SER A 24 -4.015 5.043 -7.409 1.00 0.00 C ATOM 335 O SER A 24 -4.251 4.384 -8.421 1.00 0.00 O ATOM 336 CB SER A 24 -3.786 7.501 -7.816 1.00 0.00 C ATOM 337 OG SER A 24 -4.557 8.642 -8.151 1.00 0.00 O ATOM 0 H SER A 24 -4.318 7.447 -5.406 1.00 0.00 H new ATOM 0 HA SER A 24 -5.634 6.412 -7.686 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.999 7.783 -7.116 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.295 7.115 -8.709 1.00 0.00 H new ATOM 0 HG SER A 24 -3.975 9.326 -8.544 1.00 0.00 H new ATOM 343 N MET A 25 -3.198 4.626 -6.448 1.00 0.00 N ATOM 344 CA MET A 25 -2.518 3.338 -6.529 1.00 0.00 C ATOM 345 C MET A 25 -3.490 2.193 -6.263 1.00 0.00 C ATOM 346 O MET A 25 -3.335 1.096 -6.801 1.00 0.00 O ATOM 347 CB MET A 25 -1.362 3.284 -5.529 1.00 0.00 C ATOM 348 CG MET A 25 -0.495 4.532 -5.533 1.00 0.00 C ATOM 349 SD MET A 25 0.946 4.381 -4.460 1.00 0.00 S ATOM 350 CE MET A 25 2.251 4.897 -5.573 1.00 0.00 C ATOM 0 H MET A 25 -2.990 5.160 -5.604 1.00 0.00 H new ATOM 0 HA MET A 25 -2.121 3.227 -7.538 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.766 3.135 -4.527 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.739 2.418 -5.753 1.00 0.00 H new ATOM 0 HG2 MET A 25 -0.165 4.737 -6.551 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.093 5.386 -5.214 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.133 4.277 -5.412 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.914 4.788 -6.604 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.501 5.940 -5.381 1.00 0.00 H new ATOM 360 N LYS A 26 -4.492 2.454 -5.430 1.00 0.00 N ATOM 361 CA LYS A 26 -5.490 1.446 -5.093 1.00 0.00 C ATOM 362 C LYS A 26 -6.328 1.080 -6.315 1.00 0.00 C ATOM 363 O LYS A 26 -6.843 -0.033 -6.415 1.00 0.00 O ATOM 364 CB LYS A 26 -6.399 1.954 -3.972 1.00 0.00 C ATOM 365 CG LYS A 26 -5.702 2.064 -2.627 1.00 0.00 C ATOM 366 CD LYS A 26 -6.672 1.849 -1.477 1.00 0.00 C ATOM 367 CE LYS A 26 -7.332 3.152 -1.053 1.00 0.00 C ATOM 368 NZ LYS A 26 -8.040 3.016 0.251 1.00 0.00 N ATOM 0 H LYS A 26 -4.634 3.356 -4.976 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.967 0.553 -4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.792 2.932 -4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.253 1.283 -3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.900 1.328 -2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.239 3.047 -2.535 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.437 1.132 -1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.142 1.416 -0.629 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.576 3.934 -0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.040 3.467 -1.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.060 3.937 0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.014 2.690 0.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.541 2.325 0.847 1.00 0.00 H new ATOM 382 N ASP A 27 -6.458 2.023 -7.241 1.00 0.00 N ATOM 383 CA ASP A 27 -7.231 1.799 -8.457 1.00 0.00 C ATOM 384 C ASP A 27 -6.870 0.459 -9.091 1.00 0.00 C ATOM 385 O ASP A 27 -5.803 -0.097 -8.829 1.00 0.00 O ATOM 386 CB ASP A 27 -6.989 2.931 -9.457 1.00 0.00 C ATOM 387 CG ASP A 27 -8.151 3.117 -10.413 1.00 0.00 C ATOM 388 OD1 ASP A 27 -8.366 2.230 -11.265 1.00 0.00 O ATOM 389 OD2 ASP A 27 -8.845 4.150 -10.309 1.00 0.00 O ATOM 0 H ASP A 27 -6.038 2.950 -7.173 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.287 1.781 -8.188 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.816 3.860 -8.914 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.084 2.721 -10.027 1.00 0.00 H new ATOM 394 N THR A 28 -7.768 -0.056 -9.925 1.00 0.00 N ATOM 395 CA THR A 28 -7.546 -1.332 -10.594 1.00 0.00 C ATOM 396 C THR A 28 -6.927 -1.129 -11.972 1.00 0.00 C ATOM 397 O THR A 28 -6.277 -2.026 -12.508 1.00 0.00 O ATOM 398 CB THR A 28 -8.859 -2.123 -10.745 1.00 0.00 C ATOM 399 OG1 THR A 28 -8.574 -3.508 -10.972 1.00 0.00 O ATOM 400 CG2 THR A 28 -9.692 -1.576 -11.895 1.00 0.00 C ATOM 0 H THR A 28 -8.656 0.391 -10.153 1.00 0.00 H new ATOM 0 HA THR A 28 -6.858 -1.901 -9.969 1.00 0.00 H new ATOM 0 HB THR A 28 -9.429 -2.017 -9.822 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.414 -4.004 -11.065 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.614 -2.151 -11.982 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.933 -0.530 -11.705 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.127 -1.655 -12.824 1.00 0.00 H new ATOM 408 N GLU A 29 -7.134 0.054 -12.541 1.00 0.00 N ATOM 409 CA GLU A 29 -6.595 0.373 -13.858 1.00 0.00 C ATOM 410 C GLU A 29 -5.695 1.604 -13.794 1.00 0.00 C ATOM 411 O GLU A 29 -4.814 1.787 -14.635 1.00 0.00 O ATOM 412 CB GLU A 29 -7.732 0.610 -14.855 1.00 0.00 C ATOM 413 CG GLU A 29 -8.910 1.367 -14.266 1.00 0.00 C ATOM 414 CD GLU A 29 -9.629 2.218 -15.295 1.00 0.00 C ATOM 415 OE1 GLU A 29 -9.981 1.682 -16.366 1.00 0.00 O ATOM 416 OE2 GLU A 29 -9.839 3.420 -15.029 1.00 0.00 O ATOM 0 H GLU A 29 -7.671 0.807 -12.111 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.998 -0.475 -14.193 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.345 1.165 -15.709 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.080 -0.352 -15.231 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.613 0.656 -13.832 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.559 2.004 -13.454 1.00 0.00 H new ATOM 423 N LYS A 30 -5.923 2.445 -12.792 1.00 0.00 N ATOM 424 CA LYS A 30 -5.134 3.659 -12.616 1.00 0.00 C ATOM 425 C LYS A 30 -4.215 3.539 -11.405 1.00 0.00 C ATOM 426 O LYS A 30 -3.645 4.528 -10.946 1.00 0.00 O ATOM 427 CB LYS A 30 -6.054 4.871 -12.454 1.00 0.00 C ATOM 428 CG LYS A 30 -7.242 4.864 -13.400 1.00 0.00 C ATOM 429 CD LYS A 30 -6.899 5.510 -14.731 1.00 0.00 C ATOM 430 CE LYS A 30 -8.128 6.118 -15.390 1.00 0.00 C ATOM 431 NZ LYS A 30 -8.891 6.983 -14.449 1.00 0.00 N ATOM 0 H LYS A 30 -6.649 2.309 -12.088 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.518 3.795 -13.505 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.418 4.905 -11.427 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.475 5.780 -12.618 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.570 3.838 -13.566 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.076 5.395 -12.941 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.147 6.284 -14.578 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.460 4.766 -15.395 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.823 6.705 -16.256 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.775 5.321 -15.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.408 7.709 -14.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.567 6.402 -13.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.232 7.444 -13.789 1.00 0.00 H new ATOM 445 N GLY A 31 -4.074 2.320 -10.892 1.00 0.00 N ATOM 446 CA GLY A 31 -3.221 2.094 -9.740 1.00 0.00 C ATOM 447 C GLY A 31 -2.067 1.161 -10.047 1.00 0.00 C ATOM 448 O GLY A 31 -1.906 0.715 -11.183 1.00 0.00 O ATOM 0 H GLY A 31 -4.535 1.485 -11.254 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.829 3.049 -9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.816 1.676 -8.928 1.00 0.00 H new ATOM 452 N ILE A 32 -1.260 0.867 -9.033 1.00 0.00 N ATOM 453 CA ILE A 32 -0.114 -0.018 -9.201 1.00 0.00 C ATOM 454 C ILE A 32 -0.556 -1.473 -9.319 1.00 0.00 C ATOM 455 O ILE A 32 -1.316 -1.973 -8.490 1.00 0.00 O ATOM 456 CB ILE A 32 0.874 0.112 -8.027 1.00 0.00 C ATOM 457 CG1 ILE A 32 1.371 1.554 -7.908 1.00 0.00 C ATOM 458 CG2 ILE A 32 2.044 -0.844 -8.212 1.00 0.00 C ATOM 459 CD1 ILE A 32 2.139 1.825 -6.633 1.00 0.00 C ATOM 0 H ILE A 32 -1.379 1.229 -8.087 1.00 0.00 H new ATOM 0 HA ILE A 32 0.386 0.284 -10.122 1.00 0.00 H new ATOM 0 HB ILE A 32 0.357 -0.151 -7.104 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.009 1.782 -8.762 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.517 2.229 -7.959 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.734 -0.741 -7.375 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.674 -1.868 -8.253 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.563 -0.608 -9.141 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.461 2.866 -6.616 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.498 1.629 -5.773 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.013 1.175 -6.589 1.00 0.00 H new ATOM 471 N LYS A 33 -0.074 -2.149 -10.356 1.00 0.00 N ATOM 472 CA LYS A 33 -0.415 -3.549 -10.584 1.00 0.00 C ATOM 473 C LYS A 33 0.106 -4.427 -9.451 1.00 0.00 C ATOM 474 O LYS A 33 1.075 -4.076 -8.778 1.00 0.00 O ATOM 475 CB LYS A 33 0.160 -4.025 -11.919 1.00 0.00 C ATOM 476 CG LYS A 33 -0.776 -3.809 -13.096 1.00 0.00 C ATOM 477 CD LYS A 33 -1.988 -4.721 -13.019 1.00 0.00 C ATOM 478 CE LYS A 33 -1.710 -6.074 -13.657 1.00 0.00 C ATOM 479 NZ LYS A 33 -1.895 -6.038 -15.135 1.00 0.00 N ATOM 0 H LYS A 33 0.555 -1.750 -11.053 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.501 -3.632 -10.614 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.096 -3.501 -12.109 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.398 -5.086 -11.845 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.103 -2.769 -13.116 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.240 -3.993 -14.027 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.273 -4.861 -11.976 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.833 -4.248 -13.520 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.690 -6.382 -13.426 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.375 -6.823 -13.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.696 -6.978 -15.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.875 -5.769 -15.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.243 -5.342 -15.550 1.00 0.00 H new ATOM 493 N GLU A 34 -0.541 -5.570 -9.248 1.00 0.00 N ATOM 494 CA GLU A 34 -0.141 -6.498 -8.197 1.00 0.00 C ATOM 495 C GLU A 34 0.399 -7.795 -8.793 1.00 0.00 C ATOM 496 O GLU A 34 -0.223 -8.394 -9.672 1.00 0.00 O ATOM 497 CB GLU A 34 -1.324 -6.801 -7.276 1.00 0.00 C ATOM 498 CG GLU A 34 -1.638 -5.679 -6.300 1.00 0.00 C ATOM 499 CD GLU A 34 -2.804 -6.009 -5.388 1.00 0.00 C ATOM 500 OE1 GLU A 34 -3.751 -6.676 -5.855 1.00 0.00 O ATOM 501 OE2 GLU A 34 -2.770 -5.599 -4.209 1.00 0.00 O ATOM 0 H GLU A 34 -1.344 -5.876 -9.797 1.00 0.00 H new ATOM 0 HA GLU A 34 0.652 -6.028 -7.615 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.206 -6.999 -7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.113 -7.711 -6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.756 -5.471 -5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.863 -4.770 -6.857 1.00 0.00 H new ATOM 508 N LEU A 35 1.560 -8.223 -8.310 1.00 0.00 N ATOM 509 CA LEU A 35 2.185 -9.449 -8.795 1.00 0.00 C ATOM 510 C LEU A 35 2.556 -10.367 -7.634 1.00 0.00 C ATOM 511 O LEU A 35 2.758 -9.911 -6.510 1.00 0.00 O ATOM 512 CB LEU A 35 3.433 -9.118 -9.616 1.00 0.00 C ATOM 513 CG LEU A 35 3.278 -8.005 -10.653 1.00 0.00 C ATOM 514 CD1 LEU A 35 2.109 -8.299 -11.581 1.00 0.00 C ATOM 515 CD2 LEU A 35 3.092 -6.659 -9.967 1.00 0.00 C ATOM 0 H LEU A 35 2.088 -7.740 -7.583 1.00 0.00 H new ATOM 0 HA LEU A 35 1.466 -9.968 -9.430 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.232 -8.839 -8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.756 -10.023 -10.130 1.00 0.00 H new ATOM 0 HG LEU A 35 4.188 -7.962 -11.251 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.014 -7.496 -12.312 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.284 -9.242 -12.098 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.191 -8.369 -10.998 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.983 -5.879 -10.720 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.198 -6.689 -9.344 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.961 -6.444 -9.345 1.00 0.00 H new ATOM 527 N ASN A 36 2.644 -11.662 -7.916 1.00 0.00 N ATOM 528 CA ASN A 36 2.992 -12.645 -6.896 1.00 0.00 C ATOM 529 C ASN A 36 4.349 -13.277 -7.189 1.00 0.00 C ATOM 530 O ASN A 36 4.532 -13.931 -8.217 1.00 0.00 O ATOM 531 CB ASN A 36 1.917 -13.731 -6.816 1.00 0.00 C ATOM 532 CG ASN A 36 1.603 -14.333 -8.172 1.00 0.00 C ATOM 533 OD1 ASN A 36 2.194 -15.337 -8.570 1.00 0.00 O ATOM 534 ND2 ASN A 36 0.668 -13.720 -8.889 1.00 0.00 N ATOM 0 H ASN A 36 2.479 -12.056 -8.842 1.00 0.00 H new ATOM 0 HA ASN A 36 3.051 -12.130 -5.937 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.249 -14.519 -6.140 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.007 -13.308 -6.390 1.00 0.00 H new ATOM 0 HD21 ASN A 36 0.414 -14.079 -9.809 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.204 -12.890 -8.519 1.00 0.00 H new ATOM 541 N LEU A 37 5.297 -13.077 -6.280 1.00 0.00 N ATOM 542 CA LEU A 37 6.638 -13.628 -6.441 1.00 0.00 C ATOM 543 C LEU A 37 7.013 -14.504 -5.250 1.00 0.00 C ATOM 544 O LEU A 37 6.544 -14.284 -4.134 1.00 0.00 O ATOM 545 CB LEU A 37 7.659 -12.500 -6.600 1.00 0.00 C ATOM 546 CG LEU A 37 7.292 -11.398 -7.595 1.00 0.00 C ATOM 547 CD1 LEU A 37 7.901 -10.071 -7.170 1.00 0.00 C ATOM 548 CD2 LEU A 37 7.748 -11.773 -8.997 1.00 0.00 C ATOM 0 H LEU A 37 5.162 -12.538 -5.425 1.00 0.00 H new ATOM 0 HA LEU A 37 6.645 -14.245 -7.339 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.819 -12.042 -5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.609 -12.937 -6.907 1.00 0.00 H new ATOM 0 HG LEU A 37 6.207 -11.289 -7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.629 -9.299 -7.890 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.525 -9.797 -6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.986 -10.165 -7.131 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.479 -10.978 -9.692 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.829 -11.910 -9.003 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.263 -12.701 -9.301 1.00 0.00 H new ATOM 560 N GLU A 38 7.864 -15.496 -5.495 1.00 0.00 N ATOM 561 CA GLU A 38 8.302 -16.404 -4.442 1.00 0.00 C ATOM 562 C GLU A 38 9.783 -16.202 -4.131 1.00 0.00 C ATOM 563 O GLU A 38 10.648 -16.491 -4.957 1.00 0.00 O ATOM 564 CB GLU A 38 8.050 -17.856 -4.851 1.00 0.00 C ATOM 565 CG GLU A 38 8.373 -18.862 -3.759 1.00 0.00 C ATOM 566 CD GLU A 38 8.808 -20.205 -4.313 1.00 0.00 C ATOM 567 OE1 GLU A 38 8.194 -20.667 -5.297 1.00 0.00 O ATOM 568 OE2 GLU A 38 9.761 -20.794 -3.762 1.00 0.00 O ATOM 0 H GLU A 38 8.263 -15.691 -6.413 1.00 0.00 H new ATOM 0 HA GLU A 38 7.725 -16.182 -3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.004 -17.967 -5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.648 -18.085 -5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.163 -18.462 -3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.496 -19.001 -3.127 1.00 0.00 H new ATOM 575 N LYS A 39 10.066 -15.702 -2.933 1.00 0.00 N ATOM 576 CA LYS A 39 11.441 -15.461 -2.510 1.00 0.00 C ATOM 577 C LYS A 39 11.629 -15.822 -1.040 1.00 0.00 C ATOM 578 O LYS A 39 10.728 -15.630 -0.224 1.00 0.00 O ATOM 579 CB LYS A 39 11.817 -13.995 -2.738 1.00 0.00 C ATOM 580 CG LYS A 39 13.198 -13.633 -2.220 1.00 0.00 C ATOM 581 CD LYS A 39 14.272 -13.901 -3.262 1.00 0.00 C ATOM 582 CE LYS A 39 15.480 -12.999 -3.062 1.00 0.00 C ATOM 583 NZ LYS A 39 16.706 -13.567 -3.686 1.00 0.00 N ATOM 0 H LYS A 39 9.362 -15.456 -2.238 1.00 0.00 H new ATOM 0 HA LYS A 39 12.095 -16.095 -3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.770 -13.779 -3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.078 -13.359 -2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.218 -12.580 -1.938 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.412 -14.208 -1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.582 -14.944 -3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.860 -13.744 -4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 39 15.276 -12.018 -3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.650 -12.851 -1.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.507 -12.923 -3.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.916 -14.492 -3.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.553 -13.684 -4.708 1.00 0.00 H new ATOM 597 N ASP A 40 12.806 -16.342 -0.709 1.00 0.00 N ATOM 598 CA ASP A 40 13.113 -16.727 0.663 1.00 0.00 C ATOM 599 C ASP A 40 12.044 -17.665 1.217 1.00 0.00 C ATOM 600 O ASP A 40 11.661 -17.567 2.383 1.00 0.00 O ATOM 601 CB ASP A 40 13.229 -15.486 1.550 1.00 0.00 C ATOM 602 CG ASP A 40 14.045 -15.743 2.802 1.00 0.00 C ATOM 603 OD1 ASP A 40 13.768 -16.745 3.495 1.00 0.00 O ATOM 604 OD2 ASP A 40 14.960 -14.944 3.088 1.00 0.00 O ATOM 0 H ASP A 40 13.563 -16.506 -1.373 1.00 0.00 H new ATOM 0 HA ASP A 40 14.067 -17.254 0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 40 13.688 -14.678 0.981 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.231 -15.151 1.833 1.00 0.00 H new ATOM 609 N LYS A 41 11.567 -18.573 0.373 1.00 0.00 N ATOM 610 CA LYS A 41 10.543 -19.529 0.776 1.00 0.00 C ATOM 611 C LYS A 41 9.270 -18.811 1.213 1.00 0.00 C ATOM 612 O LYS A 41 8.632 -19.197 2.193 1.00 0.00 O ATOM 613 CB LYS A 41 11.059 -20.412 1.915 1.00 0.00 C ATOM 614 CG LYS A 41 12.459 -20.951 1.679 1.00 0.00 C ATOM 615 CD LYS A 41 12.430 -22.262 0.911 1.00 0.00 C ATOM 616 CE LYS A 41 12.462 -22.028 -0.592 1.00 0.00 C ATOM 617 NZ LYS A 41 13.854 -21.892 -1.103 1.00 0.00 N ATOM 0 H LYS A 41 11.874 -18.667 -0.595 1.00 0.00 H new ATOM 0 HA LYS A 41 10.309 -20.156 -0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.051 -19.837 2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.375 -21.249 2.053 1.00 0.00 H new ATOM 0 HG2 LYS A 41 13.044 -20.217 1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.959 -21.100 2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.283 -22.875 1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.531 -22.820 1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.968 -22.857 -1.099 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.898 -21.127 -0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.833 -21.734 -2.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.317 -21.085 -0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.386 -22.762 -0.898 1.00 0.00 H new ATOM 631 N LYS A 42 8.904 -17.766 0.479 1.00 0.00 N ATOM 632 CA LYS A 42 7.705 -16.995 0.788 1.00 0.00 C ATOM 633 C LYS A 42 7.076 -16.434 -0.484 1.00 0.00 C ATOM 634 O LYS A 42 7.776 -15.933 -1.364 1.00 0.00 O ATOM 635 CB LYS A 42 8.043 -15.853 1.749 1.00 0.00 C ATOM 636 CG LYS A 42 8.714 -16.315 3.031 1.00 0.00 C ATOM 637 CD LYS A 42 9.061 -15.143 3.933 1.00 0.00 C ATOM 638 CE LYS A 42 10.185 -15.494 4.895 1.00 0.00 C ATOM 639 NZ LYS A 42 10.476 -14.379 5.839 1.00 0.00 N ATOM 0 H LYS A 42 9.421 -17.433 -0.335 1.00 0.00 H new ATOM 0 HA LYS A 42 6.986 -17.662 1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.697 -15.144 1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.127 -15.318 2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.053 -17.000 3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 42 9.621 -16.870 2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.356 -14.288 3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.178 -14.843 4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.914 -16.386 5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.085 -15.735 4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.248 -14.658 6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.759 -13.534 5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.625 -14.165 6.397 1.00 0.00 H new ATOM 653 N ILE A 43 5.754 -16.521 -0.572 1.00 0.00 N ATOM 654 CA ILE A 43 5.031 -16.020 -1.734 1.00 0.00 C ATOM 655 C ILE A 43 4.143 -14.837 -1.362 1.00 0.00 C ATOM 656 O ILE A 43 2.959 -15.004 -1.071 1.00 0.00 O ATOM 657 CB ILE A 43 4.162 -17.118 -2.374 1.00 0.00 C ATOM 658 CG1 ILE A 43 5.032 -18.303 -2.800 1.00 0.00 C ATOM 659 CG2 ILE A 43 3.396 -16.562 -3.565 1.00 0.00 C ATOM 660 CD1 ILE A 43 4.266 -19.382 -3.534 1.00 0.00 C ATOM 0 H ILE A 43 5.161 -16.934 0.148 1.00 0.00 H new ATOM 0 HA ILE A 43 5.781 -15.696 -2.455 1.00 0.00 H new ATOM 0 HB ILE A 43 3.441 -17.467 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.837 -17.941 -3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.498 -18.737 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.787 -17.351 -4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.752 -15.747 -3.235 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.100 -16.189 -4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.945 -20.190 -3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.478 -19.771 -2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.822 -18.963 -4.437 1.00 0.00 H new ATOM 672 N PHE A 44 4.723 -13.642 -1.375 1.00 0.00 N ATOM 673 CA PHE A 44 3.984 -12.430 -1.039 1.00 0.00 C ATOM 674 C PHE A 44 2.902 -12.148 -2.077 1.00 0.00 C ATOM 675 O PHE A 44 3.175 -11.587 -3.137 1.00 0.00 O ATOM 676 CB PHE A 44 4.937 -11.237 -0.942 1.00 0.00 C ATOM 677 CG PHE A 44 6.192 -11.533 -0.172 1.00 0.00 C ATOM 678 CD1 PHE A 44 6.145 -11.754 1.195 1.00 0.00 C ATOM 679 CD2 PHE A 44 7.418 -11.589 -0.815 1.00 0.00 C ATOM 680 CE1 PHE A 44 7.298 -12.027 1.907 1.00 0.00 C ATOM 681 CE2 PHE A 44 8.574 -11.862 -0.108 1.00 0.00 C ATOM 682 CZ PHE A 44 8.514 -12.080 1.255 1.00 0.00 C ATOM 0 H PHE A 44 5.702 -13.486 -1.614 1.00 0.00 H new ATOM 0 HA PHE A 44 3.504 -12.583 -0.072 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.205 -10.914 -1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.417 -10.405 -0.468 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.197 -11.712 1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.471 -11.418 -1.880 1.00 0.00 H new ATOM 0 HE1 PHE A 44 7.248 -12.199 2.972 1.00 0.00 H new ATOM 0 HE2 PHE A 44 9.524 -11.905 -0.621 1.00 0.00 H new ATOM 0 HZ PHE A 44 9.416 -12.291 1.809 1.00 0.00 H new ATOM 692 N ASN A 45 1.672 -12.542 -1.763 1.00 0.00 N ATOM 693 CA ASN A 45 0.548 -12.334 -2.669 1.00 0.00 C ATOM 694 C ASN A 45 0.088 -10.879 -2.639 1.00 0.00 C ATOM 695 O ASN A 45 0.136 -10.223 -1.598 1.00 0.00 O ATOM 696 CB ASN A 45 -0.614 -13.255 -2.293 1.00 0.00 C ATOM 697 CG ASN A 45 -0.142 -14.611 -1.805 1.00 0.00 C ATOM 698 OD1 ASN A 45 0.437 -14.727 -0.725 1.00 0.00 O ATOM 699 ND2 ASN A 45 -0.389 -15.645 -2.601 1.00 0.00 N ATOM 0 H ASN A 45 1.428 -13.007 -0.888 1.00 0.00 H new ATOM 0 HA ASN A 45 0.879 -12.572 -3.680 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.213 -12.781 -1.516 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.263 -13.389 -3.159 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.096 -16.582 -2.325 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.872 -15.502 -3.488 1.00 0.00 H new ATOM 706 N HIS A 46 -0.358 -10.381 -3.788 1.00 0.00 N ATOM 707 CA HIS A 46 -0.828 -9.005 -3.893 1.00 0.00 C ATOM 708 C HIS A 46 0.284 -8.022 -3.536 1.00 0.00 C ATOM 709 O HIS A 46 0.059 -7.053 -2.809 1.00 0.00 O ATOM 710 CB HIS A 46 -2.033 -8.783 -2.979 1.00 0.00 C ATOM 711 CG HIS A 46 -3.162 -9.734 -3.235 1.00 0.00 C ATOM 712 ND1 HIS A 46 -4.205 -9.451 -4.092 1.00 0.00 N ATOM 713 CD2 HIS A 46 -3.406 -10.971 -2.744 1.00 0.00 C ATOM 714 CE1 HIS A 46 -5.043 -10.472 -4.114 1.00 0.00 C ATOM 715 NE2 HIS A 46 -4.581 -11.408 -3.305 1.00 0.00 N ATOM 0 H HIS A 46 -0.404 -10.910 -4.659 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.128 -8.828 -4.926 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.714 -8.881 -1.941 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.393 -7.762 -3.107 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -4.312 -8.588 -4.625 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.791 -11.514 -2.041 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.952 -10.531 -4.695 1.00 0.00 H new ATOM 724 N CYS A 47 1.481 -8.279 -4.050 1.00 0.00 N ATOM 725 CA CYS A 47 2.628 -7.419 -3.783 1.00 0.00 C ATOM 726 C CYS A 47 3.203 -6.861 -5.082 1.00 0.00 C ATOM 727 O CYS A 47 3.027 -7.444 -6.152 1.00 0.00 O ATOM 728 CB CYS A 47 3.708 -8.192 -3.025 1.00 0.00 C ATOM 729 SG CYS A 47 4.816 -9.148 -4.087 1.00 0.00 S ATOM 0 H CYS A 47 1.683 -9.076 -4.654 1.00 0.00 H new ATOM 0 HA CYS A 47 2.289 -6.585 -3.168 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.300 -7.488 -2.440 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.227 -8.868 -2.318 1.00 0.00 H new ATOM 0 HG CYS A 47 4.496 -10.407 -4.026 1.00 0.00 H new ATOM 735 N PHE A 48 3.889 -5.727 -4.980 1.00 0.00 N ATOM 736 CA PHE A 48 4.487 -5.089 -6.147 1.00 0.00 C ATOM 737 C PHE A 48 5.962 -4.785 -5.904 1.00 0.00 C ATOM 738 O PHE A 48 6.367 -4.466 -4.785 1.00 0.00 O ATOM 739 CB PHE A 48 3.739 -3.799 -6.488 1.00 0.00 C ATOM 740 CG PHE A 48 3.177 -3.095 -5.286 1.00 0.00 C ATOM 741 CD1 PHE A 48 2.073 -3.605 -4.621 1.00 0.00 C ATOM 742 CD2 PHE A 48 3.753 -1.924 -4.820 1.00 0.00 C ATOM 743 CE1 PHE A 48 1.554 -2.960 -3.514 1.00 0.00 C ATOM 744 CE2 PHE A 48 3.239 -1.275 -3.714 1.00 0.00 C ATOM 745 CZ PHE A 48 2.138 -1.793 -3.060 1.00 0.00 C ATOM 0 H PHE A 48 4.044 -5.232 -4.102 1.00 0.00 H new ATOM 0 HA PHE A 48 4.410 -5.779 -6.987 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.416 -3.124 -7.011 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.926 -4.031 -7.176 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.613 -4.517 -4.972 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.614 -1.514 -5.327 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.693 -3.368 -3.005 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.698 -0.363 -3.361 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.734 -1.287 -2.196 1.00 0.00 H new ATOM 755 N THR A 49 6.763 -4.887 -6.960 1.00 0.00 N ATOM 756 CA THR A 49 8.194 -4.626 -6.863 1.00 0.00 C ATOM 757 C THR A 49 8.465 -3.159 -6.548 1.00 0.00 C ATOM 758 O THR A 49 7.613 -2.299 -6.770 1.00 0.00 O ATOM 759 CB THR A 49 8.924 -5.003 -8.166 1.00 0.00 C ATOM 760 OG1 THR A 49 8.355 -4.289 -9.270 1.00 0.00 O ATOM 761 CG2 THR A 49 8.834 -6.499 -8.423 1.00 0.00 C ATOM 0 H THR A 49 6.445 -5.149 -7.893 1.00 0.00 H new ATOM 0 HA THR A 49 8.574 -5.246 -6.051 1.00 0.00 H new ATOM 0 HB THR A 49 9.974 -4.731 -8.060 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.825 -4.533 -10.094 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.357 -6.741 -9.348 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.293 -7.039 -7.595 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.787 -6.791 -8.510 1.00 0.00 H new ATOM 769 N GLY A 50 9.657 -2.880 -6.029 1.00 0.00 N ATOM 770 CA GLY A 50 10.018 -1.516 -5.693 1.00 0.00 C ATOM 771 C GLY A 50 9.998 -0.597 -6.898 1.00 0.00 C ATOM 772 O GLY A 50 9.698 0.590 -6.776 1.00 0.00 O ATOM 0 H GLY A 50 10.379 -3.574 -5.835 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.329 -1.136 -4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.013 -1.506 -5.249 1.00 0.00 H new ATOM 776 N ASN A 51 10.319 -1.146 -8.065 1.00 0.00 N ATOM 777 CA ASN A 51 10.339 -0.366 -9.297 1.00 0.00 C ATOM 778 C ASN A 51 8.933 0.091 -9.674 1.00 0.00 C ATOM 779 O ASN A 51 8.690 1.280 -9.880 1.00 0.00 O ATOM 780 CB ASN A 51 10.942 -1.190 -10.436 1.00 0.00 C ATOM 781 CG ASN A 51 10.851 -0.480 -11.774 1.00 0.00 C ATOM 782 OD1 ASN A 51 11.685 0.364 -12.100 1.00 0.00 O ATOM 783 ND2 ASN A 51 9.833 -0.821 -12.556 1.00 0.00 N ATOM 0 H ASN A 51 10.569 -2.128 -8.183 1.00 0.00 H new ATOM 0 HA ASN A 51 10.956 0.517 -9.129 1.00 0.00 H new ATOM 0 HB2 ASN A 51 11.987 -1.405 -10.212 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.426 -2.148 -10.500 1.00 0.00 H new ATOM 0 HD21 ASN A 51 9.719 -0.378 -13.468 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.165 -1.526 -12.245 1.00 0.00 H new ATOM 790 N CYS A 52 8.011 -0.862 -9.761 1.00 0.00 N ATOM 791 CA CYS A 52 6.628 -0.558 -10.113 1.00 0.00 C ATOM 792 C CYS A 52 6.185 0.760 -9.487 1.00 0.00 C ATOM 793 O CYS A 52 5.585 1.605 -10.152 1.00 0.00 O ATOM 794 CB CYS A 52 5.704 -1.689 -9.659 1.00 0.00 C ATOM 795 SG CYS A 52 4.238 -1.905 -10.695 1.00 0.00 S ATOM 0 H CYS A 52 8.196 -1.851 -9.593 1.00 0.00 H new ATOM 0 HA CYS A 52 6.567 -0.463 -11.197 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.268 -2.622 -9.647 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.386 -1.495 -8.634 1.00 0.00 H new ATOM 0 HG CYS A 52 3.521 -2.886 -10.233 1.00 0.00 H new ATOM 801 N VAL A 53 6.483 0.929 -8.203 1.00 0.00 N ATOM 802 CA VAL A 53 6.114 2.144 -7.485 1.00 0.00 C ATOM 803 C VAL A 53 6.742 3.374 -8.131 1.00 0.00 C ATOM 804 O VAL A 53 6.042 4.313 -8.512 1.00 0.00 O ATOM 805 CB VAL A 53 6.545 2.076 -6.008 1.00 0.00 C ATOM 806 CG1 VAL A 53 6.198 3.372 -5.291 1.00 0.00 C ATOM 807 CG2 VAL A 53 5.897 0.885 -5.319 1.00 0.00 C ATOM 0 H VAL A 53 6.979 0.240 -7.638 1.00 0.00 H new ATOM 0 HA VAL A 53 5.028 2.225 -7.535 1.00 0.00 H new ATOM 0 HB VAL A 53 7.626 1.945 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.510 3.306 -4.249 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.714 4.203 -5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.122 3.537 -5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.212 0.852 -4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.812 0.983 -5.367 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.201 -0.034 -5.819 1.00 0.00 H new ATOM 817 N ILE A 54 8.066 3.363 -8.250 1.00 0.00 N ATOM 818 CA ILE A 54 8.788 4.477 -8.851 1.00 0.00 C ATOM 819 C ILE A 54 8.253 4.792 -10.244 1.00 0.00 C ATOM 820 O ILE A 54 7.797 5.905 -10.508 1.00 0.00 O ATOM 821 CB ILE A 54 10.296 4.184 -8.947 1.00 0.00 C ATOM 822 CG1 ILE A 54 10.826 3.675 -7.605 1.00 0.00 C ATOM 823 CG2 ILE A 54 11.052 5.432 -9.381 1.00 0.00 C ATOM 824 CD1 ILE A 54 10.395 4.519 -6.426 1.00 0.00 C ATOM 0 H ILE A 54 8.660 2.595 -7.938 1.00 0.00 H new ATOM 0 HA ILE A 54 8.634 5.339 -8.202 1.00 0.00 H new ATOM 0 HB ILE A 54 10.453 3.408 -9.696 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.484 2.651 -7.453 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.915 3.645 -7.641 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.117 5.209 -9.444 1.00 0.00 H new ATOM 0 HG22 ILE A 54 10.690 5.755 -10.357 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.891 6.227 -8.653 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.807 4.099 -5.508 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.760 5.538 -6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.307 4.529 -6.364 1.00 0.00 H new ATOM 836 N ASP A 55 8.310 3.804 -11.130 1.00 0.00 N ATOM 837 CA ASP A 55 7.828 3.974 -12.496 1.00 0.00 C ATOM 838 C ASP A 55 6.386 4.473 -12.506 1.00 0.00 C ATOM 839 O ASP A 55 6.059 5.442 -13.191 1.00 0.00 O ATOM 840 CB ASP A 55 7.930 2.655 -13.264 1.00 0.00 C ATOM 841 CG ASP A 55 7.771 2.842 -14.760 1.00 0.00 C ATOM 842 OD1 ASP A 55 6.936 3.676 -15.168 1.00 0.00 O ATOM 843 OD2 ASP A 55 8.481 2.154 -15.522 1.00 0.00 O ATOM 0 H ASP A 55 8.685 2.877 -10.927 1.00 0.00 H new ATOM 0 HA ASP A 55 8.455 4.720 -12.986 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.896 2.193 -13.059 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.165 1.968 -12.903 1.00 0.00 H new ATOM 848 N TRP A 56 5.530 3.804 -11.743 1.00 0.00 N ATOM 849 CA TRP A 56 4.122 4.179 -11.665 1.00 0.00 C ATOM 850 C TRP A 56 3.970 5.682 -11.461 1.00 0.00 C ATOM 851 O TRP A 56 3.142 6.326 -12.107 1.00 0.00 O ATOM 852 CB TRP A 56 3.435 3.424 -10.526 1.00 0.00 C ATOM 853 CG TRP A 56 1.959 3.674 -10.454 1.00 0.00 C ATOM 854 CD1 TRP A 56 0.967 2.875 -10.945 1.00 0.00 C ATOM 855 CD2 TRP A 56 1.309 4.801 -9.856 1.00 0.00 C ATOM 856 NE1 TRP A 56 -0.261 3.437 -10.689 1.00 0.00 N ATOM 857 CE2 TRP A 56 -0.078 4.619 -10.021 1.00 0.00 C ATOM 858 CE3 TRP A 56 1.764 5.946 -9.196 1.00 0.00 C ATOM 859 CZ2 TRP A 56 -1.011 5.539 -9.551 1.00 0.00 C ATOM 860 CZ3 TRP A 56 0.837 6.859 -8.730 1.00 0.00 C ATOM 861 CH2 TRP A 56 -0.538 6.651 -8.909 1.00 0.00 C ATOM 0 H TRP A 56 5.785 3.000 -11.170 1.00 0.00 H new ATOM 0 HA TRP A 56 3.646 3.910 -12.608 1.00 0.00 H new ATOM 0 HB2 TRP A 56 3.610 2.355 -10.650 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.892 3.714 -9.580 1.00 0.00 H new ATOM 0 HD1 TRP A 56 1.124 1.938 -11.459 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -1.162 3.039 -10.953 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.821 6.114 -9.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.070 5.381 -9.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.177 7.748 -8.219 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -1.238 7.383 -8.533 1.00 0.00 H new ATOM 872 N LEU A 57 4.771 6.236 -10.558 1.00 0.00 N ATOM 873 CA LEU A 57 4.725 7.665 -10.269 1.00 0.00 C ATOM 874 C LEU A 57 5.139 8.481 -11.489 1.00 0.00 C ATOM 875 O LEU A 57 4.654 9.594 -11.698 1.00 0.00 O ATOM 876 CB LEU A 57 5.638 7.996 -9.086 1.00 0.00 C ATOM 877 CG LEU A 57 5.240 7.389 -7.741 1.00 0.00 C ATOM 878 CD1 LEU A 57 6.467 7.175 -6.867 1.00 0.00 C ATOM 879 CD2 LEU A 57 4.228 8.278 -7.033 1.00 0.00 C ATOM 0 H LEU A 57 5.460 5.718 -10.013 1.00 0.00 H new ATOM 0 HA LEU A 57 3.698 7.926 -10.012 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.647 7.663 -9.328 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.678 9.080 -8.975 1.00 0.00 H new ATOM 0 HG LEU A 57 4.777 6.420 -7.925 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.164 6.742 -5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.158 6.498 -7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.960 8.131 -6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.956 7.830 -6.077 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.665 9.262 -6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.337 8.380 -7.652 1.00 0.00 H new ATOM 891 N VAL A 58 6.036 7.921 -12.293 1.00 0.00 N ATOM 892 CA VAL A 58 6.512 8.595 -13.495 1.00 0.00 C ATOM 893 C VAL A 58 5.476 8.526 -14.611 1.00 0.00 C ATOM 894 O VAL A 58 5.218 9.517 -15.294 1.00 0.00 O ATOM 895 CB VAL A 58 7.832 7.981 -13.997 1.00 0.00 C ATOM 896 CG1 VAL A 58 8.360 8.755 -15.196 1.00 0.00 C ATOM 897 CG2 VAL A 58 8.863 7.947 -12.879 1.00 0.00 C ATOM 0 H VAL A 58 6.448 7.002 -12.134 1.00 0.00 H new ATOM 0 HA VAL A 58 6.683 9.637 -13.226 1.00 0.00 H new ATOM 0 HB VAL A 58 7.638 6.956 -14.313 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.293 8.306 -15.536 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.627 8.723 -16.002 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.539 9.791 -14.910 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.789 7.510 -13.252 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.055 8.962 -12.530 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.484 7.345 -12.053 1.00 0.00 H new ATOM 907 N SER A 59 4.884 7.350 -14.790 1.00 0.00 N ATOM 908 CA SER A 59 3.877 7.150 -15.826 1.00 0.00 C ATOM 909 C SER A 59 2.618 7.956 -15.522 1.00 0.00 C ATOM 910 O SER A 59 1.848 8.288 -16.422 1.00 0.00 O ATOM 911 CB SER A 59 3.529 5.665 -15.949 1.00 0.00 C ATOM 912 OG SER A 59 2.817 5.406 -17.147 1.00 0.00 O ATOM 0 H SER A 59 5.084 6.521 -14.231 1.00 0.00 H new ATOM 0 HA SER A 59 4.291 7.498 -16.772 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.443 5.071 -15.930 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.930 5.356 -15.092 1.00 0.00 H new ATOM 0 HG SER A 59 2.608 4.450 -17.203 1.00 0.00 H new ATOM 918 N ASN A 60 2.416 8.267 -14.246 1.00 0.00 N ATOM 919 CA ASN A 60 1.250 9.034 -13.821 1.00 0.00 C ATOM 920 C ASN A 60 1.515 10.532 -13.930 1.00 0.00 C ATOM 921 O ASN A 60 0.691 11.349 -13.520 1.00 0.00 O ATOM 922 CB ASN A 60 0.874 8.674 -12.382 1.00 0.00 C ATOM 923 CG ASN A 60 -0.100 7.514 -12.312 1.00 0.00 C ATOM 924 OD1 ASN A 60 -1.278 7.696 -12.000 1.00 0.00 O ATOM 925 ND2 ASN A 60 0.387 6.314 -12.602 1.00 0.00 N ATOM 0 H ASN A 60 3.044 8.000 -13.488 1.00 0.00 H new ATOM 0 HA ASN A 60 0.420 8.781 -14.480 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.777 8.421 -11.826 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.434 9.545 -11.896 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.221 5.496 -12.572 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.370 6.210 -12.855 1.00 0.00 H new ATOM 932 N GLN A 61 2.670 10.884 -14.486 1.00 0.00 N ATOM 933 CA GLN A 61 3.043 12.284 -14.649 1.00 0.00 C ATOM 934 C GLN A 61 3.105 12.992 -13.299 1.00 0.00 C ATOM 935 O GLN A 61 2.882 14.199 -13.209 1.00 0.00 O ATOM 936 CB GLN A 61 2.048 12.996 -15.566 1.00 0.00 C ATOM 937 CG GLN A 61 1.837 12.294 -16.897 1.00 0.00 C ATOM 938 CD GLN A 61 0.552 12.714 -17.582 1.00 0.00 C ATOM 939 OE1 GLN A 61 -0.272 13.421 -17.001 1.00 0.00 O ATOM 940 NE2 GLN A 61 0.374 12.281 -18.825 1.00 0.00 N ATOM 0 H GLN A 61 3.363 10.220 -14.831 1.00 0.00 H new ATOM 0 HA GLN A 61 4.033 12.319 -15.103 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.090 13.080 -15.053 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.400 14.011 -15.752 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.681 12.507 -17.554 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.823 11.216 -16.736 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.083 11.697 -19.268 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.472 12.533 -19.336 1.00 0.00 H new ATOM 949 N SER A 62 3.409 12.232 -12.251 1.00 0.00 N ATOM 950 CA SER A 62 3.496 12.785 -10.905 1.00 0.00 C ATOM 951 C SER A 62 4.912 13.265 -10.605 1.00 0.00 C ATOM 952 O SER A 62 5.111 14.226 -9.862 1.00 0.00 O ATOM 953 CB SER A 62 3.070 11.740 -9.873 1.00 0.00 C ATOM 954 OG SER A 62 1.683 11.465 -9.967 1.00 0.00 O ATOM 0 H SER A 62 3.599 11.232 -12.309 1.00 0.00 H new ATOM 0 HA SER A 62 2.822 13.639 -10.846 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.637 10.822 -10.026 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.306 12.097 -8.871 1.00 0.00 H new ATOM 0 HG SER A 62 1.437 10.793 -9.298 1.00 0.00 H new ATOM 960 N VAL A 63 5.896 12.588 -11.190 1.00 0.00 N ATOM 961 CA VAL A 63 7.295 12.944 -10.987 1.00 0.00 C ATOM 962 C VAL A 63 7.992 13.211 -12.316 1.00 0.00 C ATOM 963 O VAL A 63 7.545 12.751 -13.367 1.00 0.00 O ATOM 964 CB VAL A 63 8.054 11.834 -10.236 1.00 0.00 C ATOM 965 CG1 VAL A 63 7.670 11.826 -8.764 1.00 0.00 C ATOM 966 CG2 VAL A 63 7.783 10.479 -10.873 1.00 0.00 C ATOM 0 H VAL A 63 5.749 11.790 -11.808 1.00 0.00 H new ATOM 0 HA VAL A 63 7.306 13.852 -10.385 1.00 0.00 H new ATOM 0 HB VAL A 63 9.123 12.037 -10.307 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.216 11.035 -8.250 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.919 12.789 -8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.599 11.648 -8.668 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.327 9.706 -10.330 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.715 10.266 -10.834 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.113 10.493 -11.912 1.00 0.00 H new ATOM 976 N ARG A 64 9.091 13.958 -12.263 1.00 0.00 N ATOM 977 CA ARG A 64 9.850 14.287 -13.463 1.00 0.00 C ATOM 978 C ARG A 64 10.650 13.081 -13.947 1.00 0.00 C ATOM 979 O ARG A 64 10.873 12.913 -15.145 1.00 0.00 O ATOM 980 CB ARG A 64 10.791 15.461 -13.190 1.00 0.00 C ATOM 981 CG ARG A 64 10.092 16.680 -12.609 1.00 0.00 C ATOM 982 CD ARG A 64 11.021 17.883 -12.560 1.00 0.00 C ATOM 983 NE ARG A 64 11.942 17.817 -11.428 1.00 0.00 N ATOM 984 CZ ARG A 64 12.821 18.771 -11.140 1.00 0.00 C ATOM 985 NH1 ARG A 64 12.897 19.858 -11.895 1.00 0.00 N ATOM 986 NH2 ARG A 64 13.626 18.638 -10.093 1.00 0.00 N ATOM 0 H ARG A 64 9.475 14.346 -11.402 1.00 0.00 H new ATOM 0 HA ARG A 64 9.144 14.570 -14.244 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.571 15.138 -12.501 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.284 15.744 -14.120 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.216 16.920 -13.211 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.736 16.452 -11.604 1.00 0.00 H new ATOM 0 HD2 ARG A 64 11.590 17.940 -13.488 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.429 18.796 -12.493 1.00 0.00 H new ATOM 0 HE ARG A 64 11.909 16.994 -10.826 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.280 19.964 -12.700 1.00 0.00 H new ATOM 0 HH12 ARG A 64 13.573 20.588 -11.671 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.570 17.803 -9.509 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.301 19.370 -9.872 1.00 0.00 H new ATOM 1000 N ASN A 65 11.080 12.246 -13.007 1.00 0.00 N ATOM 1001 CA ASN A 65 11.857 11.057 -13.338 1.00 0.00 C ATOM 1002 C ASN A 65 11.748 10.011 -12.233 1.00 0.00 C ATOM 1003 O ASN A 65 11.055 10.216 -11.236 1.00 0.00 O ATOM 1004 CB ASN A 65 13.325 11.427 -13.562 1.00 0.00 C ATOM 1005 CG ASN A 65 14.112 11.482 -12.267 1.00 0.00 C ATOM 1006 OD1 ASN A 65 14.926 10.603 -11.986 1.00 0.00 O ATOM 1007 ND2 ASN A 65 13.871 12.517 -11.472 1.00 0.00 N ATOM 0 H ASN A 65 10.904 12.371 -12.010 1.00 0.00 H new ATOM 0 HA ASN A 65 11.452 10.633 -14.257 1.00 0.00 H new ATOM 0 HB2 ASN A 65 13.782 10.698 -14.231 1.00 0.00 H new ATOM 0 HB3 ASN A 65 13.381 12.395 -14.059 1.00 0.00 H new ATOM 0 HD21 ASN A 65 14.370 12.607 -10.587 1.00 0.00 H new ATOM 0 HD22 ASN A 65 13.187 13.222 -11.746 1.00 0.00 H new ATOM 1014 N ARG A 66 12.438 8.890 -12.416 1.00 0.00 N ATOM 1015 CA ARG A 66 12.418 7.812 -11.436 1.00 0.00 C ATOM 1016 C ARG A 66 12.837 8.321 -10.059 1.00 0.00 C ATOM 1017 O ARG A 66 12.056 8.284 -9.110 1.00 0.00 O ATOM 1018 CB ARG A 66 13.345 6.677 -11.875 1.00 0.00 C ATOM 1019 CG ARG A 66 12.667 5.646 -12.762 1.00 0.00 C ATOM 1020 CD ARG A 66 12.437 6.183 -14.166 1.00 0.00 C ATOM 1021 NE ARG A 66 11.379 5.457 -14.863 1.00 0.00 N ATOM 1022 CZ ARG A 66 10.908 5.809 -16.054 1.00 0.00 C ATOM 1023 NH1 ARG A 66 11.399 6.871 -16.677 1.00 0.00 N ATOM 1024 NH2 ARG A 66 9.944 5.097 -16.625 1.00 0.00 N ATOM 0 H ARG A 66 13.018 8.705 -13.234 1.00 0.00 H new ATOM 0 HA ARG A 66 11.398 7.434 -11.370 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.196 7.100 -12.409 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.740 6.179 -10.990 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.281 4.747 -12.811 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.713 5.357 -12.321 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.176 7.240 -14.112 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.362 6.112 -14.737 1.00 0.00 H new ATOM 0 HE ARG A 66 10.980 4.635 -14.411 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.140 7.420 -16.242 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.036 7.139 -17.592 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.564 4.279 -16.149 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.583 5.368 -17.540 1.00 0.00 H new ATOM 1038 N GLN A 67 14.075 8.794 -9.961 1.00 0.00 N ATOM 1039 CA GLN A 67 14.598 9.309 -8.701 1.00 0.00 C ATOM 1040 C GLN A 67 13.566 10.189 -8.002 1.00 0.00 C ATOM 1041 O GLN A 67 13.317 10.038 -6.807 1.00 0.00 O ATOM 1042 CB GLN A 67 15.882 10.104 -8.944 1.00 0.00 C ATOM 1043 CG GLN A 67 17.132 9.241 -8.992 1.00 0.00 C ATOM 1044 CD GLN A 67 18.368 9.976 -8.512 1.00 0.00 C ATOM 1045 OE1 GLN A 67 18.973 10.749 -9.256 1.00 0.00 O ATOM 1046 NE2 GLN A 67 18.750 9.738 -7.263 1.00 0.00 N ATOM 0 H GLN A 67 14.734 8.831 -10.738 1.00 0.00 H new ATOM 0 HA GLN A 67 14.822 8.460 -8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 67 15.790 10.648 -9.884 1.00 0.00 H new ATOM 0 HB3 GLN A 67 15.994 10.847 -8.155 1.00 0.00 H new ATOM 0 HG2 GLN A 67 16.980 8.354 -8.377 1.00 0.00 H new ATOM 0 HG3 GLN A 67 17.292 8.897 -10.014 1.00 0.00 H new ATOM 0 HE21 GLN A 67 18.219 9.090 -6.682 1.00 0.00 H new ATOM 0 HE22 GLN A 67 19.575 10.204 -6.884 1.00 0.00 H new ATOM 1055 N GLU A 68 12.969 11.106 -8.757 1.00 0.00 N ATOM 1056 CA GLU A 68 11.965 12.010 -8.209 1.00 0.00 C ATOM 1057 C GLU A 68 10.891 11.235 -7.451 1.00 0.00 C ATOM 1058 O GLU A 68 10.386 11.693 -6.427 1.00 0.00 O ATOM 1059 CB GLU A 68 11.322 12.832 -9.327 1.00 0.00 C ATOM 1060 CG GLU A 68 12.038 14.143 -9.609 1.00 0.00 C ATOM 1061 CD GLU A 68 12.058 15.066 -8.406 1.00 0.00 C ATOM 1062 OE1 GLU A 68 10.967 15.426 -7.917 1.00 0.00 O ATOM 1063 OE2 GLU A 68 13.164 15.429 -7.955 1.00 0.00 O ATOM 0 H GLU A 68 13.163 11.242 -9.749 1.00 0.00 H new ATOM 0 HA GLU A 68 12.463 12.684 -7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.302 12.236 -10.239 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.286 13.043 -9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.062 13.934 -9.919 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.549 14.648 -10.442 1.00 0.00 H new ATOM 1070 N GLY A 69 10.547 10.057 -7.962 1.00 0.00 N ATOM 1071 CA GLY A 69 9.536 9.237 -7.322 1.00 0.00 C ATOM 1072 C GLY A 69 10.039 8.581 -6.052 1.00 0.00 C ATOM 1073 O GLY A 69 9.253 8.229 -5.172 1.00 0.00 O ATOM 0 H GLY A 69 10.951 9.656 -8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.667 9.853 -7.089 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.204 8.467 -8.018 1.00 0.00 H new ATOM 1077 N LEU A 70 11.354 8.415 -5.955 1.00 0.00 N ATOM 1078 CA LEU A 70 11.962 7.795 -4.783 1.00 0.00 C ATOM 1079 C LEU A 70 11.457 8.445 -3.499 1.00 0.00 C ATOM 1080 O LEU A 70 11.022 7.759 -2.574 1.00 0.00 O ATOM 1081 CB LEU A 70 13.486 7.903 -4.858 1.00 0.00 C ATOM 1082 CG LEU A 70 14.271 6.703 -4.326 1.00 0.00 C ATOM 1083 CD1 LEU A 70 13.685 6.224 -3.007 1.00 0.00 C ATOM 1084 CD2 LEU A 70 14.280 5.577 -5.349 1.00 0.00 C ATOM 0 H LEU A 70 12.019 8.701 -6.674 1.00 0.00 H new ATOM 0 HA LEU A 70 11.678 6.743 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.768 8.064 -5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.795 8.789 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 70 15.300 7.015 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.256 5.370 -2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.732 7.030 -2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.646 5.929 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.843 4.731 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.256 5.266 -5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.747 5.926 -6.270 1.00 0.00 H new ATOM 1096 N MET A 71 11.516 9.772 -3.451 1.00 0.00 N ATOM 1097 CA MET A 71 11.062 10.515 -2.281 1.00 0.00 C ATOM 1098 C MET A 71 9.596 10.216 -1.984 1.00 0.00 C ATOM 1099 O MET A 71 9.256 9.753 -0.895 1.00 0.00 O ATOM 1100 CB MET A 71 11.254 12.017 -2.498 1.00 0.00 C ATOM 1101 CG MET A 71 12.561 12.368 -3.190 1.00 0.00 C ATOM 1102 SD MET A 71 13.984 11.548 -2.445 1.00 0.00 S ATOM 1103 CE MET A 71 15.046 11.349 -3.873 1.00 0.00 C ATOM 0 H MET A 71 11.873 10.354 -4.208 1.00 0.00 H new ATOM 0 HA MET A 71 11.660 10.200 -1.426 1.00 0.00 H new ATOM 0 HB2 MET A 71 10.424 12.399 -3.092 1.00 0.00 H new ATOM 0 HB3 MET A 71 11.216 12.523 -1.533 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.496 12.090 -4.242 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.708 13.447 -3.154 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.835 10.633 -3.643 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.459 10.983 -4.715 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.491 12.310 -4.132 1.00 0.00 H new ATOM 1113 N ILE A 72 8.732 10.484 -2.958 1.00 0.00 N ATOM 1114 CA ILE A 72 7.304 10.242 -2.799 1.00 0.00 C ATOM 1115 C ILE A 72 7.039 8.841 -2.260 1.00 0.00 C ATOM 1116 O ILE A 72 6.161 8.643 -1.422 1.00 0.00 O ATOM 1117 CB ILE A 72 6.552 10.418 -4.132 1.00 0.00 C ATOM 1118 CG1 ILE A 72 6.753 11.835 -4.673 1.00 0.00 C ATOM 1119 CG2 ILE A 72 5.071 10.120 -3.948 1.00 0.00 C ATOM 1120 CD1 ILE A 72 6.096 12.903 -3.828 1.00 0.00 C ATOM 0 H ILE A 72 8.997 10.869 -3.865 1.00 0.00 H new ATOM 0 HA ILE A 72 6.937 10.978 -2.084 1.00 0.00 H new ATOM 0 HB ILE A 72 6.957 9.712 -4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.821 12.042 -4.739 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.354 11.888 -5.686 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.553 10.249 -4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.947 9.094 -3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.651 10.804 -3.211 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.280 13.882 -4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.022 12.721 -3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.512 12.877 -2.821 1.00 0.00 H new ATOM 1132 N ALA A 73 7.807 7.871 -2.746 1.00 0.00 N ATOM 1133 CA ALA A 73 7.659 6.488 -2.310 1.00 0.00 C ATOM 1134 C ALA A 73 8.041 6.331 -0.842 1.00 0.00 C ATOM 1135 O ALA A 73 7.392 5.597 -0.097 1.00 0.00 O ATOM 1136 CB ALA A 73 8.504 5.568 -3.179 1.00 0.00 C ATOM 0 H ALA A 73 8.538 8.018 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 73 6.611 6.209 -2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.384 4.538 -2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.182 5.650 -4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.553 5.855 -3.101 1.00 0.00 H new ATOM 1142 N SER A 74 9.098 7.025 -0.433 1.00 0.00 N ATOM 1143 CA SER A 74 9.569 6.959 0.945 1.00 0.00 C ATOM 1144 C SER A 74 8.505 7.475 1.908 1.00 0.00 C ATOM 1145 O SER A 74 8.170 6.815 2.893 1.00 0.00 O ATOM 1146 CB SER A 74 10.856 7.772 1.106 1.00 0.00 C ATOM 1147 OG SER A 74 10.576 9.158 1.188 1.00 0.00 O ATOM 0 H SER A 74 9.644 7.640 -1.036 1.00 0.00 H new ATOM 0 HA SER A 74 9.774 5.915 1.183 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.383 7.450 2.004 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.519 7.581 0.262 1.00 0.00 H new ATOM 0 HG SER A 74 10.239 9.475 0.324 1.00 0.00 H new ATOM 1153 N SER A 75 7.975 8.659 1.617 1.00 0.00 N ATOM 1154 CA SER A 75 6.951 9.266 2.458 1.00 0.00 C ATOM 1155 C SER A 75 5.776 8.314 2.657 1.00 0.00 C ATOM 1156 O SER A 75 5.273 8.151 3.770 1.00 0.00 O ATOM 1157 CB SER A 75 6.462 10.576 1.838 1.00 0.00 C ATOM 1158 OG SER A 75 6.553 10.536 0.424 1.00 0.00 O ATOM 0 H SER A 75 8.238 9.217 0.805 1.00 0.00 H new ATOM 0 HA SER A 75 7.394 9.476 3.432 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.429 10.759 2.134 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.055 11.407 2.220 1.00 0.00 H new ATOM 0 HG SER A 75 6.266 9.656 0.103 1.00 0.00 H new ATOM 1164 N LEU A 76 5.341 7.686 1.569 1.00 0.00 N ATOM 1165 CA LEU A 76 4.225 6.748 1.622 1.00 0.00 C ATOM 1166 C LEU A 76 4.445 5.699 2.707 1.00 0.00 C ATOM 1167 O LEU A 76 3.500 5.265 3.366 1.00 0.00 O ATOM 1168 CB LEU A 76 4.043 6.065 0.265 1.00 0.00 C ATOM 1169 CG LEU A 76 3.363 6.900 -0.821 1.00 0.00 C ATOM 1170 CD1 LEU A 76 3.589 6.279 -2.191 1.00 0.00 C ATOM 1171 CD2 LEU A 76 1.875 7.038 -0.534 1.00 0.00 C ATOM 0 H LEU A 76 5.744 7.810 0.640 1.00 0.00 H new ATOM 0 HA LEU A 76 3.322 7.309 1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.024 5.760 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.461 5.155 0.414 1.00 0.00 H new ATOM 0 HG LEU A 76 3.807 7.896 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.098 6.886 -2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.658 6.233 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.173 5.272 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.407 7.635 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.416 6.050 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.734 7.528 0.429 1.00 0.00 H new ATOM 1183 N LEU A 77 5.698 5.298 2.889 1.00 0.00 N ATOM 1184 CA LEU A 77 6.043 4.301 3.896 1.00 0.00 C ATOM 1185 C LEU A 77 6.081 4.924 5.288 1.00 0.00 C ATOM 1186 O LEU A 77 5.816 4.255 6.285 1.00 0.00 O ATOM 1187 CB LEU A 77 7.397 3.667 3.571 1.00 0.00 C ATOM 1188 CG LEU A 77 7.374 2.508 2.573 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.775 2.219 2.059 1.00 0.00 C ATOM 1190 CD2 LEU A 77 6.770 1.266 3.212 1.00 0.00 C ATOM 0 H LEU A 77 6.492 5.648 2.353 1.00 0.00 H new ATOM 0 HA LEU A 77 5.275 3.528 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.055 4.443 3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.841 3.311 4.500 1.00 0.00 H new ATOM 0 HG LEU A 77 6.751 2.795 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.739 1.392 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.170 3.105 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.422 1.953 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.762 0.452 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.366 0.976 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.749 1.480 3.529 1.00 0.00 H new ATOM 1202 N ASN A 78 6.411 6.210 5.346 1.00 0.00 N ATOM 1203 CA ASN A 78 6.482 6.924 6.616 1.00 0.00 C ATOM 1204 C ASN A 78 5.090 7.122 7.207 1.00 0.00 C ATOM 1205 O ASN A 78 4.918 7.122 8.426 1.00 0.00 O ATOM 1206 CB ASN A 78 7.165 8.280 6.424 1.00 0.00 C ATOM 1207 CG ASN A 78 8.667 8.204 6.618 1.00 0.00 C ATOM 1208 OD1 ASN A 78 9.158 7.462 7.469 1.00 0.00 O ATOM 1209 ND2 ASN A 78 9.405 8.973 5.826 1.00 0.00 N ATOM 0 H ASN A 78 6.633 6.779 4.529 1.00 0.00 H new ATOM 0 HA ASN A 78 7.070 6.323 7.310 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.949 8.654 5.423 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.746 8.998 7.129 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.422 8.964 5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.955 9.573 5.134 1.00 0.00 H new ATOM 1216 N GLU A 79 4.101 7.289 6.335 1.00 0.00 N ATOM 1217 CA GLU A 79 2.724 7.487 6.772 1.00 0.00 C ATOM 1218 C GLU A 79 2.028 6.149 7.005 1.00 0.00 C ATOM 1219 O GLU A 79 1.191 6.019 7.897 1.00 0.00 O ATOM 1220 CB GLU A 79 1.949 8.304 5.736 1.00 0.00 C ATOM 1221 CG GLU A 79 2.450 9.730 5.587 1.00 0.00 C ATOM 1222 CD GLU A 79 1.935 10.647 6.680 1.00 0.00 C ATOM 1223 OE1 GLU A 79 0.802 11.154 6.543 1.00 0.00 O ATOM 1224 OE2 GLU A 79 2.664 10.856 7.672 1.00 0.00 O ATOM 0 H GLU A 79 4.227 7.291 5.323 1.00 0.00 H new ATOM 0 HA GLU A 79 2.745 8.034 7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.012 7.803 4.770 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.896 8.325 6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.540 9.731 5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.143 10.119 4.616 1.00 0.00 H new ATOM 1231 N GLY A 80 2.382 5.156 6.194 1.00 0.00 N ATOM 1232 CA GLY A 80 1.782 3.841 6.326 1.00 0.00 C ATOM 1233 C GLY A 80 1.069 3.400 5.064 1.00 0.00 C ATOM 1234 O GLY A 80 0.679 2.239 4.936 1.00 0.00 O ATOM 0 H GLY A 80 3.073 5.239 5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.556 3.115 6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.075 3.849 7.155 1.00 0.00 H new ATOM 1238 N TYR A 81 0.895 4.327 4.129 1.00 0.00 N ATOM 1239 CA TYR A 81 0.219 4.029 2.872 1.00 0.00 C ATOM 1240 C TYR A 81 0.772 2.752 2.246 1.00 0.00 C ATOM 1241 O TYR A 81 0.047 2.004 1.590 1.00 0.00 O ATOM 1242 CB TYR A 81 0.374 5.196 1.896 1.00 0.00 C ATOM 1243 CG TYR A 81 -0.309 6.465 2.356 1.00 0.00 C ATOM 1244 CD1 TYR A 81 -1.694 6.539 2.443 1.00 0.00 C ATOM 1245 CD2 TYR A 81 0.430 7.589 2.703 1.00 0.00 C ATOM 1246 CE1 TYR A 81 -2.323 7.695 2.862 1.00 0.00 C ATOM 1247 CE2 TYR A 81 -0.190 8.749 3.125 1.00 0.00 C ATOM 1248 CZ TYR A 81 -1.566 8.798 3.202 1.00 0.00 C ATOM 1249 OH TYR A 81 -2.187 9.952 3.620 1.00 0.00 O ATOM 0 H TYR A 81 1.213 5.292 4.218 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.840 3.880 3.085 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.435 5.397 1.749 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.033 4.905 0.927 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.289 5.677 2.178 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.508 7.555 2.642 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.400 7.736 2.923 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.400 9.613 3.393 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.511 10.632 3.822 1.00 0.00 H new ATOM 1259 N LEU A 82 2.061 2.509 2.455 1.00 0.00 N ATOM 1260 CA LEU A 82 2.714 1.322 1.913 1.00 0.00 C ATOM 1261 C LEU A 82 3.428 0.543 3.013 1.00 0.00 C ATOM 1262 O LEU A 82 3.995 1.130 3.934 1.00 0.00 O ATOM 1263 CB LEU A 82 3.711 1.717 0.823 1.00 0.00 C ATOM 1264 CG LEU A 82 3.114 2.345 -0.437 1.00 0.00 C ATOM 1265 CD1 LEU A 82 4.198 3.021 -1.262 1.00 0.00 C ATOM 1266 CD2 LEU A 82 2.389 1.294 -1.265 1.00 0.00 C ATOM 0 H LEU A 82 2.675 3.118 2.996 1.00 0.00 H new ATOM 0 HA LEU A 82 1.946 0.681 1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.427 2.419 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.271 0.828 0.532 1.00 0.00 H new ATOM 0 HG LEU A 82 2.391 3.102 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.754 3.462 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.673 3.803 -0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.945 2.284 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.971 1.759 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.091 0.513 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.585 0.856 -0.674 1.00 0.00 H new ATOM 1278 N GLN A 83 3.398 -0.782 2.908 1.00 0.00 N ATOM 1279 CA GLN A 83 4.044 -1.640 3.894 1.00 0.00 C ATOM 1280 C GLN A 83 5.152 -2.469 3.251 1.00 0.00 C ATOM 1281 O GLN A 83 4.961 -3.109 2.217 1.00 0.00 O ATOM 1282 CB GLN A 83 3.015 -2.564 4.549 1.00 0.00 C ATOM 1283 CG GLN A 83 1.894 -1.820 5.257 1.00 0.00 C ATOM 1284 CD GLN A 83 2.328 -1.244 6.591 1.00 0.00 C ATOM 1285 OE1 GLN A 83 2.753 -1.974 7.487 1.00 0.00 O ATOM 1286 NE2 GLN A 83 2.223 0.072 6.730 1.00 0.00 N ATOM 0 H GLN A 83 2.934 -1.284 2.151 1.00 0.00 H new ATOM 0 HA GLN A 83 4.488 -1.002 4.658 1.00 0.00 H new ATOM 0 HB2 GLN A 83 2.584 -3.213 3.787 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.522 -3.208 5.267 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.537 -1.014 4.616 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.055 -2.498 5.414 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.865 0.639 5.961 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.500 0.516 7.606 1.00 0.00 H new ATOM 1295 N PRO A 84 6.338 -2.456 3.876 1.00 0.00 N ATOM 1296 CA PRO A 84 7.501 -3.201 3.382 1.00 0.00 C ATOM 1297 C PRO A 84 7.328 -4.709 3.530 1.00 0.00 C ATOM 1298 O PRO A 84 6.711 -5.182 4.484 1.00 0.00 O ATOM 1299 CB PRO A 84 8.644 -2.704 4.270 1.00 0.00 C ATOM 1300 CG PRO A 84 7.980 -2.251 5.525 1.00 0.00 C ATOM 1301 CD PRO A 84 6.637 -1.714 5.112 1.00 0.00 C ATOM 0 HA PRO A 84 7.668 -3.037 2.317 1.00 0.00 H new ATOM 0 HB2 PRO A 84 9.365 -3.497 4.468 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.189 -1.889 3.794 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.871 -3.076 6.229 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.571 -1.483 6.024 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.882 -1.889 5.878 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.671 -0.639 4.937 1.00 0.00 H new ATOM 1309 N ALA A 85 7.877 -5.459 2.580 1.00 0.00 N ATOM 1310 CA ALA A 85 7.786 -6.914 2.607 1.00 0.00 C ATOM 1311 C ALA A 85 9.133 -7.554 2.292 1.00 0.00 C ATOM 1312 O ALA A 85 9.624 -7.470 1.167 1.00 0.00 O ATOM 1313 CB ALA A 85 6.728 -7.394 1.624 1.00 0.00 C ATOM 0 H ALA A 85 8.389 -5.083 1.782 1.00 0.00 H new ATOM 0 HA ALA A 85 7.496 -7.217 3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.670 -8.482 1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.761 -6.972 1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.994 -7.073 0.617 1.00 0.00 H new ATOM 1319 N GLY A 86 9.728 -8.194 3.295 1.00 0.00 N ATOM 1320 CA GLY A 86 11.014 -8.838 3.104 1.00 0.00 C ATOM 1321 C GLY A 86 12.137 -8.115 3.820 1.00 0.00 C ATOM 1322 O GLY A 86 12.084 -6.898 4.003 1.00 0.00 O ATOM 0 H GLY A 86 9.342 -8.278 4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.959 -9.865 3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.238 -8.886 2.038 1.00 0.00 H new ATOM 1326 N ASP A 87 13.157 -8.863 4.227 1.00 0.00 N ATOM 1327 CA ASP A 87 14.298 -8.285 4.928 1.00 0.00 C ATOM 1328 C ASP A 87 14.902 -7.136 4.127 1.00 0.00 C ATOM 1329 O ASP A 87 15.474 -6.206 4.694 1.00 0.00 O ATOM 1330 CB ASP A 87 15.359 -9.356 5.188 1.00 0.00 C ATOM 1331 CG ASP A 87 16.212 -9.042 6.402 1.00 0.00 C ATOM 1332 OD1 ASP A 87 15.775 -9.350 7.530 1.00 0.00 O ATOM 1333 OD2 ASP A 87 17.317 -8.490 6.222 1.00 0.00 O ATOM 0 H ASP A 87 13.217 -9.871 4.083 1.00 0.00 H new ATOM 0 HA ASP A 87 13.947 -7.893 5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.871 -10.320 5.330 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.000 -9.449 4.311 1.00 0.00 H new ATOM 1338 N MET A 88 14.772 -7.209 2.806 1.00 0.00 N ATOM 1339 CA MET A 88 15.306 -6.175 1.928 1.00 0.00 C ATOM 1340 C MET A 88 14.852 -4.790 2.380 1.00 0.00 C ATOM 1341 O MET A 88 15.643 -4.011 2.913 1.00 0.00 O ATOM 1342 CB MET A 88 14.863 -6.423 0.485 1.00 0.00 C ATOM 1343 CG MET A 88 15.506 -5.480 -0.519 1.00 0.00 C ATOM 1344 SD MET A 88 15.686 -6.222 -2.152 1.00 0.00 S ATOM 1345 CE MET A 88 16.407 -4.860 -3.065 1.00 0.00 C ATOM 0 H MET A 88 14.302 -7.973 2.321 1.00 0.00 H new ATOM 0 HA MET A 88 16.394 -6.216 1.979 1.00 0.00 H new ATOM 0 HB2 MET A 88 15.103 -7.450 0.211 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.779 -6.322 0.424 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.903 -4.575 -0.600 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.487 -5.178 -0.151 1.00 0.00 H new ATOM 0 HE1 MET A 88 16.578 -5.164 -4.098 1.00 0.00 H new ATOM 0 HE2 MET A 88 15.727 -4.009 -3.046 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.355 -4.577 -2.608 1.00 0.00 H new ATOM 1355 N SER A 89 13.576 -4.491 2.164 1.00 0.00 N ATOM 1356 CA SER A 89 13.018 -3.199 2.546 1.00 0.00 C ATOM 1357 C SER A 89 12.931 -3.072 4.064 1.00 0.00 C ATOM 1358 O SER A 89 13.142 -1.995 4.623 1.00 0.00 O ATOM 1359 CB SER A 89 11.632 -3.014 1.927 1.00 0.00 C ATOM 1360 OG SER A 89 11.596 -3.509 0.599 1.00 0.00 O ATOM 0 H SER A 89 12.908 -5.126 1.726 1.00 0.00 H new ATOM 0 HA SER A 89 13.682 -2.420 2.171 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.888 -3.532 2.532 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.366 -1.957 1.932 1.00 0.00 H new ATOM 0 HG SER A 89 11.129 -2.868 0.023 1.00 0.00 H new ATOM 1366 N LYS A 90 12.617 -4.180 4.727 1.00 0.00 N ATOM 1367 CA LYS A 90 12.502 -4.197 6.180 1.00 0.00 C ATOM 1368 C LYS A 90 13.794 -3.717 6.834 1.00 0.00 C ATOM 1369 O LYS A 90 13.796 -3.291 7.989 1.00 0.00 O ATOM 1370 CB LYS A 90 12.163 -5.607 6.670 1.00 0.00 C ATOM 1371 CG LYS A 90 10.685 -5.945 6.573 1.00 0.00 C ATOM 1372 CD LYS A 90 10.329 -7.139 7.442 1.00 0.00 C ATOM 1373 CE LYS A 90 8.911 -7.621 7.174 1.00 0.00 C ATOM 1374 NZ LYS A 90 8.517 -8.724 8.092 1.00 0.00 N ATOM 0 H LYS A 90 12.437 -5.079 4.280 1.00 0.00 H new ATOM 0 HA LYS A 90 11.698 -3.518 6.463 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.732 -6.332 6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.483 -5.709 7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.093 -5.082 6.878 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.427 -6.159 5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.032 -7.950 7.253 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.430 -6.868 8.493 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.217 -6.788 7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.833 -7.962 6.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.545 -9.024 7.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.164 -9.529 7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.567 -8.391 9.076 1.00 0.00 H new ATOM 1388 N SER A 91 14.892 -3.789 6.087 1.00 0.00 N ATOM 1389 CA SER A 91 16.191 -3.364 6.595 1.00 0.00 C ATOM 1390 C SER A 91 16.413 -1.876 6.343 1.00 0.00 C ATOM 1391 O SER A 91 17.124 -1.207 7.092 1.00 0.00 O ATOM 1392 CB SER A 91 17.309 -4.176 5.940 1.00 0.00 C ATOM 1393 OG SER A 91 18.537 -4.000 6.625 1.00 0.00 O ATOM 0 H SER A 91 14.907 -4.138 5.129 1.00 0.00 H new ATOM 0 HA SER A 91 16.207 -3.539 7.671 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.040 -5.232 5.935 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.423 -3.871 4.900 1.00 0.00 H new ATOM 0 HG SER A 91 19.235 -4.531 6.187 1.00 0.00 H new ATOM 1399 N ALA A 92 15.798 -1.364 5.282 1.00 0.00 N ATOM 1400 CA ALA A 92 15.926 0.045 4.930 1.00 0.00 C ATOM 1401 C ALA A 92 15.021 0.912 5.799 1.00 0.00 C ATOM 1402 O ALA A 92 15.401 2.009 6.208 1.00 0.00 O ATOM 1403 CB ALA A 92 15.605 0.253 3.458 1.00 0.00 C ATOM 0 H ALA A 92 15.206 -1.904 4.651 1.00 0.00 H new ATOM 0 HA ALA A 92 16.958 0.347 5.111 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.705 1.310 3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 92 16.296 -0.330 2.849 1.00 0.00 H new ATOM 0 HB3 ALA A 92 14.584 -0.072 3.259 1.00 0.00 H new ATOM 1409 N VAL A 93 13.820 0.412 6.077 1.00 0.00 N ATOM 1410 CA VAL A 93 12.860 1.141 6.897 1.00 0.00 C ATOM 1411 C VAL A 93 13.273 1.133 8.364 1.00 0.00 C ATOM 1412 O VAL A 93 12.957 2.056 9.114 1.00 0.00 O ATOM 1413 CB VAL A 93 11.446 0.545 6.769 1.00 0.00 C ATOM 1414 CG1 VAL A 93 10.921 0.714 5.352 1.00 0.00 C ATOM 1415 CG2 VAL A 93 11.448 -0.921 7.174 1.00 0.00 C ATOM 0 H VAL A 93 13.490 -0.495 5.746 1.00 0.00 H new ATOM 0 HA VAL A 93 12.847 2.168 6.532 1.00 0.00 H new ATOM 0 HB VAL A 93 10.781 1.084 7.444 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.921 0.287 5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.881 1.774 5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 93 11.584 0.202 4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.441 -1.326 7.078 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.126 -1.476 6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.778 -1.012 8.209 1.00 0.00 H new ATOM 1425 N ASP A 94 13.982 0.084 8.768 1.00 0.00 N ATOM 1426 CA ASP A 94 14.440 -0.045 10.146 1.00 0.00 C ATOM 1427 C ASP A 94 14.914 1.300 10.689 1.00 0.00 C ATOM 1428 O ASP A 94 14.360 1.819 11.657 1.00 0.00 O ATOM 1429 CB ASP A 94 15.570 -1.072 10.236 1.00 0.00 C ATOM 1430 CG ASP A 94 15.055 -2.496 10.302 1.00 0.00 C ATOM 1431 OD1 ASP A 94 13.949 -2.701 10.844 1.00 0.00 O ATOM 1432 OD2 ASP A 94 15.758 -3.405 9.812 1.00 0.00 O ATOM 0 H ASP A 94 14.252 -0.689 8.160 1.00 0.00 H new ATOM 0 HA ASP A 94 13.600 -0.386 10.752 1.00 0.00 H new ATOM 0 HB2 ASP A 94 16.224 -0.965 9.370 1.00 0.00 H new ATOM 0 HB3 ASP A 94 16.174 -0.866 11.119 1.00 0.00 H new ATOM 1437 N GLY A 95 15.943 1.858 10.060 1.00 0.00 N ATOM 1438 CA GLY A 95 16.475 3.136 10.495 1.00 0.00 C ATOM 1439 C GLY A 95 17.730 3.529 9.742 1.00 0.00 C ATOM 1440 O GLY A 95 17.779 4.582 9.106 1.00 0.00 O ATOM 0 H GLY A 95 16.418 1.448 9.256 1.00 0.00 H new ATOM 0 HA2 GLY A 95 15.717 3.907 10.358 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.694 3.090 11.562 1.00 0.00 H new ATOM 1444 N THR A 96 18.751 2.680 9.814 1.00 0.00 N ATOM 1445 CA THR A 96 20.014 2.945 9.137 1.00 0.00 C ATOM 1446 C THR A 96 19.846 2.902 7.623 1.00 0.00 C ATOM 1447 O THR A 96 20.283 1.958 6.966 1.00 0.00 O ATOM 1448 CB THR A 96 21.097 1.930 9.550 1.00 0.00 C ATOM 1449 OG1 THR A 96 22.308 2.185 8.831 1.00 0.00 O ATOM 1450 CG2 THR A 96 20.634 0.506 9.283 1.00 0.00 C ATOM 0 H THR A 96 18.727 1.803 10.335 1.00 0.00 H new ATOM 0 HA THR A 96 20.329 3.944 9.437 1.00 0.00 H new ATOM 0 HB THR A 96 21.279 2.042 10.619 1.00 0.00 H new ATOM 0 HG1 THR A 96 22.991 1.536 9.101 1.00 0.00 H new ATOM 0 HG21 THR A 96 21.415 -0.193 9.582 1.00 0.00 H new ATOM 0 HG22 THR A 96 19.728 0.305 9.855 1.00 0.00 H new ATOM 0 HG23 THR A 96 20.426 0.384 8.220 1.00 0.00 H new ATOM 1458 N ALA A 97 19.210 3.932 7.074 1.00 0.00 N ATOM 1459 CA ALA A 97 18.986 4.013 5.636 1.00 0.00 C ATOM 1460 C ALA A 97 18.377 5.357 5.250 1.00 0.00 C ATOM 1461 O ALA A 97 17.237 5.656 5.602 1.00 0.00 O ATOM 1462 CB ALA A 97 18.088 2.874 5.176 1.00 0.00 C ATOM 0 H ALA A 97 18.841 4.722 7.604 1.00 0.00 H new ATOM 0 HA ALA A 97 19.951 3.924 5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 97 17.929 2.947 4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 97 18.562 1.920 5.409 1.00 0.00 H new ATOM 0 HB3 ALA A 97 17.128 2.937 5.689 1.00 0.00 H new ATOM 1468 N GLU A 98 19.146 6.163 4.524 1.00 0.00 N ATOM 1469 CA GLU A 98 18.682 7.476 4.093 1.00 0.00 C ATOM 1470 C GLU A 98 17.212 7.427 3.686 1.00 0.00 C ATOM 1471 O GLU A 98 16.398 8.217 4.164 1.00 0.00 O ATOM 1472 CB GLU A 98 19.529 7.982 2.923 1.00 0.00 C ATOM 1473 CG GLU A 98 19.762 6.939 1.844 1.00 0.00 C ATOM 1474 CD GLU A 98 20.812 7.365 0.837 1.00 0.00 C ATOM 1475 OE1 GLU A 98 20.449 8.037 -0.151 1.00 0.00 O ATOM 1476 OE2 GLU A 98 21.997 7.027 1.037 1.00 0.00 O ATOM 0 H GLU A 98 20.092 5.930 4.222 1.00 0.00 H new ATOM 0 HA GLU A 98 18.786 8.163 4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 98 19.039 8.849 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 98 20.493 8.321 3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 98 20.070 6.003 2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.824 6.744 1.324 1.00 0.00 H new ATOM 1483 N ASN A 99 16.880 6.493 2.801 1.00 0.00 N ATOM 1484 CA ASN A 99 15.508 6.341 2.329 1.00 0.00 C ATOM 1485 C ASN A 99 14.985 4.938 2.622 1.00 0.00 C ATOM 1486 O ASN A 99 15.576 3.933 2.228 1.00 0.00 O ATOM 1487 CB ASN A 99 15.430 6.623 0.827 1.00 0.00 C ATOM 1488 CG ASN A 99 15.988 7.985 0.464 1.00 0.00 C ATOM 1489 OD1 ASN A 99 17.066 8.091 -0.121 1.00 0.00 O ATOM 1490 ND2 ASN A 99 15.255 9.036 0.812 1.00 0.00 N ATOM 0 H ASN A 99 17.541 5.830 2.396 1.00 0.00 H new ATOM 0 HA ASN A 99 14.885 7.060 2.860 1.00 0.00 H new ATOM 0 HB2 ASN A 99 15.980 5.853 0.287 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.391 6.561 0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.580 9.978 0.595 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.367 8.901 1.296 1.00 0.00 H new ATOM 1497 N PRO A 100 13.848 4.867 3.331 1.00 0.00 N ATOM 1498 CA PRO A 100 13.219 3.593 3.692 1.00 0.00 C ATOM 1499 C PRO A 100 12.626 2.876 2.484 1.00 0.00 C ATOM 1500 O PRO A 100 12.152 1.745 2.591 1.00 0.00 O ATOM 1501 CB PRO A 100 12.112 4.008 4.664 1.00 0.00 C ATOM 1502 CG PRO A 100 11.795 5.417 4.300 1.00 0.00 C ATOM 1503 CD PRO A 100 13.089 6.025 3.833 1.00 0.00 C ATOM 0 HA PRO A 100 13.936 2.890 4.115 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.236 3.367 4.563 1.00 0.00 H new ATOM 0 HB3 PRO A 100 12.445 3.932 5.699 1.00 0.00 H new ATOM 0 HG2 PRO A 100 11.039 5.457 3.515 1.00 0.00 H new ATOM 0 HG3 PRO A 100 11.395 5.961 5.156 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.925 6.768 3.052 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.613 6.528 4.646 1.00 0.00 H new ATOM 1511 N PHE A 101 12.655 3.542 1.334 1.00 0.00 N ATOM 1512 CA PHE A 101 12.120 2.968 0.105 1.00 0.00 C ATOM 1513 C PHE A 101 13.226 2.761 -0.926 1.00 0.00 C ATOM 1514 O PHE A 101 14.042 3.652 -1.165 1.00 0.00 O ATOM 1515 CB PHE A 101 11.031 3.873 -0.474 1.00 0.00 C ATOM 1516 CG PHE A 101 10.140 3.181 -1.465 1.00 0.00 C ATOM 1517 CD1 PHE A 101 10.620 2.819 -2.714 1.00 0.00 C ATOM 1518 CD2 PHE A 101 8.822 2.891 -1.149 1.00 0.00 C ATOM 1519 CE1 PHE A 101 9.803 2.183 -3.628 1.00 0.00 C ATOM 1520 CE2 PHE A 101 8.000 2.255 -2.060 1.00 0.00 C ATOM 1521 CZ PHE A 101 8.491 1.899 -3.301 1.00 0.00 C ATOM 0 H PHE A 101 13.043 4.479 1.228 1.00 0.00 H new ATOM 0 HA PHE A 101 11.686 1.998 0.346 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.421 4.261 0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 101 11.501 4.730 -0.957 1.00 0.00 H new ATOM 0 HD1 PHE A 101 11.645 3.037 -2.975 1.00 0.00 H new ATOM 0 HD2 PHE A 101 8.433 3.165 -0.180 1.00 0.00 H new ATOM 0 HE1 PHE A 101 10.190 1.908 -4.598 1.00 0.00 H new ATOM 0 HE2 PHE A 101 6.974 2.036 -1.802 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.851 1.400 -4.014 1.00 0.00 H new ATOM 1531 N LEU A 102 13.247 1.580 -1.534 1.00 0.00 N ATOM 1532 CA LEU A 102 14.253 1.255 -2.539 1.00 0.00 C ATOM 1533 C LEU A 102 13.613 1.079 -3.912 1.00 0.00 C ATOM 1534 O LEU A 102 12.611 0.378 -4.056 1.00 0.00 O ATOM 1535 CB LEU A 102 15.002 -0.020 -2.146 1.00 0.00 C ATOM 1536 CG LEU A 102 15.607 -0.036 -0.741 1.00 0.00 C ATOM 1537 CD1 LEU A 102 14.617 -0.612 0.259 1.00 0.00 C ATOM 1538 CD2 LEU A 102 16.905 -0.831 -0.729 1.00 0.00 C ATOM 0 H LEU A 102 12.579 0.832 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 102 14.960 2.083 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.316 -0.863 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.803 -0.184 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 102 15.830 0.990 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.064 -0.616 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.714 -0.002 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 102 14.362 -1.632 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 102 17.322 -0.832 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 102 16.706 -1.856 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 102 17.618 -0.375 -1.416 1.00 0.00 H new ATOM 1550 N ASP A 103 14.200 1.717 -4.919 1.00 0.00 N ATOM 1551 CA ASP A 103 13.689 1.628 -6.282 1.00 0.00 C ATOM 1552 C ASP A 103 14.128 0.326 -6.943 1.00 0.00 C ATOM 1553 O ASP A 103 14.079 0.192 -8.165 1.00 0.00 O ATOM 1554 CB ASP A 103 14.170 2.822 -7.108 1.00 0.00 C ATOM 1555 CG ASP A 103 13.847 2.674 -8.582 1.00 0.00 C ATOM 1556 OD1 ASP A 103 12.799 2.075 -8.903 1.00 0.00 O ATOM 1557 OD2 ASP A 103 14.643 3.157 -9.414 1.00 0.00 O ATOM 0 H ASP A 103 15.030 2.301 -4.817 1.00 0.00 H new ATOM 0 HA ASP A 103 12.600 1.642 -6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.708 3.733 -6.727 1.00 0.00 H new ATOM 0 HB3 ASP A 103 15.247 2.935 -6.985 1.00 0.00 H new ATOM 1562 N ASN A 104 14.559 -0.631 -6.127 1.00 0.00 N ATOM 1563 CA ASN A 104 15.009 -1.922 -6.633 1.00 0.00 C ATOM 1564 C ASN A 104 13.827 -2.765 -7.101 1.00 0.00 C ATOM 1565 O ASN A 104 12.742 -2.734 -6.520 1.00 0.00 O ATOM 1566 CB ASN A 104 15.789 -2.673 -5.552 1.00 0.00 C ATOM 1567 CG ASN A 104 17.254 -2.284 -5.521 1.00 0.00 C ATOM 1568 OD1 ASN A 104 17.974 -2.452 -6.505 1.00 0.00 O ATOM 1569 ND2 ASN A 104 17.703 -1.761 -4.385 1.00 0.00 N ATOM 0 H ASN A 104 14.606 -0.536 -5.112 1.00 0.00 H new ATOM 0 HA ASN A 104 15.664 -1.742 -7.485 1.00 0.00 H new ATOM 0 HB2 ASN A 104 15.342 -2.471 -4.579 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.704 -3.746 -5.726 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.680 -1.481 -4.304 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.070 -1.640 -3.594 1.00 0.00 H new ATOM 1576 N PRO A 105 14.039 -3.537 -8.177 1.00 0.00 N ATOM 1577 CA PRO A 105 13.004 -4.404 -8.747 1.00 0.00 C ATOM 1578 C PRO A 105 12.675 -5.586 -7.842 1.00 0.00 C ATOM 1579 O PRO A 105 11.659 -6.256 -8.025 1.00 0.00 O ATOM 1580 CB PRO A 105 13.629 -4.891 -10.056 1.00 0.00 C ATOM 1581 CG PRO A 105 15.099 -4.803 -9.830 1.00 0.00 C ATOM 1582 CD PRO A 105 15.308 -3.624 -8.920 1.00 0.00 C ATOM 0 HA PRO A 105 12.059 -3.877 -8.880 1.00 0.00 H new ATOM 0 HB2 PRO A 105 13.324 -5.912 -10.284 1.00 0.00 H new ATOM 0 HB3 PRO A 105 13.320 -4.270 -10.897 1.00 0.00 H new ATOM 0 HG2 PRO A 105 15.480 -5.718 -9.377 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.631 -4.668 -10.772 1.00 0.00 H new ATOM 0 HD2 PRO A 105 16.155 -3.778 -8.252 1.00 0.00 H new ATOM 0 HD3 PRO A 105 15.507 -2.712 -9.483 1.00 0.00 H new ATOM 1590 N ASP A 106 13.541 -5.837 -6.866 1.00 0.00 N ATOM 1591 CA ASP A 106 13.341 -6.938 -5.931 1.00 0.00 C ATOM 1592 C ASP A 106 12.464 -6.505 -4.760 1.00 0.00 C ATOM 1593 O ASP A 106 11.572 -7.239 -4.336 1.00 0.00 O ATOM 1594 CB ASP A 106 14.688 -7.446 -5.414 1.00 0.00 C ATOM 1595 CG ASP A 106 15.348 -8.416 -6.374 1.00 0.00 C ATOM 1596 OD1 ASP A 106 15.425 -8.097 -7.579 1.00 0.00 O ATOM 1597 OD2 ASP A 106 15.787 -9.494 -5.921 1.00 0.00 O ATOM 0 H ASP A 106 14.388 -5.293 -6.702 1.00 0.00 H new ATOM 0 HA ASP A 106 12.835 -7.745 -6.461 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.352 -6.598 -5.245 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.543 -7.935 -4.451 1.00 0.00 H new ATOM 1602 N ALA A 107 12.724 -5.308 -4.243 1.00 0.00 N ATOM 1603 CA ALA A 107 11.958 -4.777 -3.123 1.00 0.00 C ATOM 1604 C ALA A 107 10.462 -4.981 -3.335 1.00 0.00 C ATOM 1605 O ALA A 107 9.933 -4.695 -4.410 1.00 0.00 O ATOM 1606 CB ALA A 107 12.268 -3.301 -2.923 1.00 0.00 C ATOM 0 H ALA A 107 13.459 -4.688 -4.583 1.00 0.00 H new ATOM 0 HA ALA A 107 12.249 -5.323 -2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 107 11.688 -2.918 -2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 107 13.331 -3.177 -2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 107 12.007 -2.749 -3.826 1.00 0.00 H new ATOM 1612 N PHE A 108 9.785 -5.478 -2.305 1.00 0.00 N ATOM 1613 CA PHE A 108 8.349 -5.722 -2.380 1.00 0.00 C ATOM 1614 C PHE A 108 7.586 -4.759 -1.475 1.00 0.00 C ATOM 1615 O PHE A 108 8.084 -4.348 -0.427 1.00 0.00 O ATOM 1616 CB PHE A 108 8.034 -7.167 -1.987 1.00 0.00 C ATOM 1617 CG PHE A 108 8.967 -8.171 -2.601 1.00 0.00 C ATOM 1618 CD1 PHE A 108 8.913 -8.450 -3.957 1.00 0.00 C ATOM 1619 CD2 PHE A 108 9.899 -8.837 -1.820 1.00 0.00 C ATOM 1620 CE1 PHE A 108 9.771 -9.373 -4.524 1.00 0.00 C ATOM 1621 CE2 PHE A 108 10.759 -9.762 -2.383 1.00 0.00 C ATOM 1622 CZ PHE A 108 10.694 -10.031 -3.736 1.00 0.00 C ATOM 0 H PHE A 108 10.208 -5.720 -1.409 1.00 0.00 H new ATOM 0 HA PHE A 108 8.031 -5.555 -3.409 1.00 0.00 H new ATOM 0 HB2 PHE A 108 8.078 -7.258 -0.902 1.00 0.00 H new ATOM 0 HB3 PHE A 108 7.012 -7.402 -2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.192 -7.940 -4.578 1.00 0.00 H new ATOM 0 HD2 PHE A 108 9.954 -8.631 -0.761 1.00 0.00 H new ATOM 0 HE1 PHE A 108 9.720 -9.579 -5.583 1.00 0.00 H new ATOM 0 HE2 PHE A 108 11.481 -10.274 -1.765 1.00 0.00 H new ATOM 0 HZ PHE A 108 11.364 -10.755 -4.177 1.00 0.00 H new ATOM 1632 N TYR A 109 6.374 -4.403 -1.888 1.00 0.00 N ATOM 1633 CA TYR A 109 5.543 -3.487 -1.117 1.00 0.00 C ATOM 1634 C TYR A 109 4.064 -3.818 -1.288 1.00 0.00 C ATOM 1635 O TYR A 109 3.627 -4.225 -2.365 1.00 0.00 O ATOM 1636 CB TYR A 109 5.806 -2.042 -1.546 1.00 0.00 C ATOM 1637 CG TYR A 109 7.221 -1.580 -1.280 1.00 0.00 C ATOM 1638 CD1 TYR A 109 7.700 -1.454 0.018 1.00 0.00 C ATOM 1639 CD2 TYR A 109 8.080 -1.270 -2.328 1.00 0.00 C ATOM 1640 CE1 TYR A 109 8.992 -1.032 0.265 1.00 0.00 C ATOM 1641 CE2 TYR A 109 9.374 -0.848 -2.090 1.00 0.00 C ATOM 1642 CZ TYR A 109 9.825 -0.730 -0.792 1.00 0.00 C ATOM 1643 OH TYR A 109 11.113 -0.310 -0.550 1.00 0.00 O ATOM 0 H TYR A 109 5.946 -4.735 -2.752 1.00 0.00 H new ATOM 0 HA TYR A 109 5.803 -3.600 -0.064 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.595 -1.944 -2.611 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.113 -1.384 -1.021 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.051 -1.690 0.848 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.730 -1.361 -3.346 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.348 -0.939 1.280 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.029 -0.612 -2.916 1.00 0.00 H new ATOM 0 HH TYR A 109 11.272 -0.281 0.417 1.00 0.00 H new ATOM 1653 N TYR A 110 3.297 -3.640 -0.218 1.00 0.00 N ATOM 1654 CA TYR A 110 1.866 -3.922 -0.248 1.00 0.00 C ATOM 1655 C TYR A 110 1.084 -2.848 0.503 1.00 0.00 C ATOM 1656 O TYR A 110 1.607 -2.206 1.414 1.00 0.00 O ATOM 1657 CB TYR A 110 1.583 -5.296 0.362 1.00 0.00 C ATOM 1658 CG TYR A 110 1.938 -5.392 1.829 1.00 0.00 C ATOM 1659 CD1 TYR A 110 3.207 -5.786 2.233 1.00 0.00 C ATOM 1660 CD2 TYR A 110 1.003 -5.087 2.811 1.00 0.00 C ATOM 1661 CE1 TYR A 110 3.535 -5.876 3.572 1.00 0.00 C ATOM 1662 CE2 TYR A 110 1.323 -5.172 4.153 1.00 0.00 C ATOM 1663 CZ TYR A 110 2.590 -5.568 4.528 1.00 0.00 C ATOM 1664 OH TYR A 110 2.913 -5.655 5.862 1.00 0.00 O ATOM 0 H TYR A 110 3.642 -3.302 0.681 1.00 0.00 H new ATOM 0 HA TYR A 110 1.542 -3.921 -1.289 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.526 -5.529 0.237 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.143 -6.051 -0.189 1.00 0.00 H new ATOM 0 HD1 TYR A 110 3.950 -6.026 1.487 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.010 -4.778 2.521 1.00 0.00 H new ATOM 0 HE1 TYR A 110 4.526 -6.186 3.868 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.585 -4.930 4.904 1.00 0.00 H new ATOM 0 HH TYR A 110 2.136 -5.403 6.404 1.00 0.00 H new ATOM 1674 N PHE A 111 -0.172 -2.660 0.114 1.00 0.00 N ATOM 1675 CA PHE A 111 -1.028 -1.665 0.749 1.00 0.00 C ATOM 1676 C PHE A 111 -1.694 -2.237 1.997 1.00 0.00 C ATOM 1677 O PHE A 111 -1.981 -3.430 2.087 1.00 0.00 O ATOM 1678 CB PHE A 111 -2.095 -1.177 -0.234 1.00 0.00 C ATOM 1679 CG PHE A 111 -1.527 -0.627 -1.510 1.00 0.00 C ATOM 1680 CD1 PHE A 111 -0.838 0.575 -1.516 1.00 0.00 C ATOM 1681 CD2 PHE A 111 -1.683 -1.311 -2.705 1.00 0.00 C ATOM 1682 CE1 PHE A 111 -0.315 1.085 -2.689 1.00 0.00 C ATOM 1683 CE2 PHE A 111 -1.162 -0.807 -3.882 1.00 0.00 C ATOM 1684 CZ PHE A 111 -0.476 0.392 -3.874 1.00 0.00 C ATOM 0 H PHE A 111 -0.620 -3.184 -0.638 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.404 -0.822 1.046 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.765 -2.004 -0.470 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.697 -0.407 0.248 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.708 1.120 -0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.218 -2.249 -2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.219 2.024 -2.680 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.291 -1.350 -4.807 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.066 0.787 -4.792 1.00 0.00 H new ATOM 1694 N PRO A 112 -1.945 -1.365 2.985 1.00 0.00 N ATOM 1695 CA PRO A 112 -2.579 -1.759 4.247 1.00 0.00 C ATOM 1696 C PRO A 112 -4.048 -2.128 4.067 1.00 0.00 C ATOM 1697 O PRO A 112 -4.577 -2.976 4.785 1.00 0.00 O ATOM 1698 CB PRO A 112 -2.445 -0.507 5.118 1.00 0.00 C ATOM 1699 CG PRO A 112 -2.349 0.620 4.148 1.00 0.00 C ATOM 1700 CD PRO A 112 -1.629 0.073 2.947 1.00 0.00 C ATOM 0 HA PRO A 112 -2.114 -2.646 4.677 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -3.305 -0.390 5.778 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -1.561 -0.559 5.753 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.339 0.986 3.876 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.806 1.461 4.579 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.977 0.537 2.024 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.555 0.250 3.007 1.00 0.00 H new ATOM 1708 N ASP A 113 -4.700 -1.487 3.104 1.00 0.00 N ATOM 1709 CA ASP A 113 -6.108 -1.749 2.829 1.00 0.00 C ATOM 1710 C ASP A 113 -6.271 -3.007 1.982 1.00 0.00 C ATOM 1711 O ASP A 113 -7.235 -3.755 2.143 1.00 0.00 O ATOM 1712 CB ASP A 113 -6.741 -0.554 2.115 1.00 0.00 C ATOM 1713 CG ASP A 113 -6.828 0.672 3.003 1.00 0.00 C ATOM 1714 OD1 ASP A 113 -6.062 0.747 3.986 1.00 0.00 O ATOM 1715 OD2 ASP A 113 -7.662 1.556 2.715 1.00 0.00 O ATOM 0 H ASP A 113 -4.276 -0.782 2.501 1.00 0.00 H new ATOM 0 HA ASP A 113 -6.616 -1.905 3.781 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.157 -0.315 1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.741 -0.825 1.776 1.00 0.00 H new ATOM 1720 N SER A 114 -5.322 -3.234 1.079 1.00 0.00 N ATOM 1721 CA SER A 114 -5.363 -4.399 0.204 1.00 0.00 C ATOM 1722 C SER A 114 -5.330 -5.691 1.016 1.00 0.00 C ATOM 1723 O SER A 114 -4.851 -5.712 2.149 1.00 0.00 O ATOM 1724 CB SER A 114 -4.188 -4.369 -0.776 1.00 0.00 C ATOM 1725 OG SER A 114 -4.430 -3.459 -1.835 1.00 0.00 O ATOM 0 H SER A 114 -4.516 -2.626 0.935 1.00 0.00 H new ATOM 0 HA SER A 114 -6.297 -4.367 -0.358 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.278 -4.084 -0.248 1.00 0.00 H new ATOM 0 HB3 SER A 114 -4.023 -5.367 -1.181 1.00 0.00 H new ATOM 0 HG SER A 114 -3.744 -3.572 -2.526 1.00 0.00 H new ATOM 1731 N GLY A 115 -5.843 -6.767 0.427 1.00 0.00 N ATOM 1732 CA GLY A 115 -5.862 -8.047 1.109 1.00 0.00 C ATOM 1733 C GLY A 115 -4.565 -8.813 0.942 1.00 0.00 C ATOM 1734 O GLY A 115 -4.517 -9.821 0.236 1.00 0.00 O ATOM 0 H GLY A 115 -6.246 -6.775 -0.510 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.051 -7.887 2.170 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.687 -8.647 0.725 1.00 0.00 H new ATOM 1738 N PHE A 116 -3.509 -8.335 1.592 1.00 0.00 N ATOM 1739 CA PHE A 116 -2.204 -8.980 1.510 1.00 0.00 C ATOM 1740 C PHE A 116 -2.100 -10.126 2.512 1.00 0.00 C ATOM 1741 O PHE A 116 -2.783 -10.134 3.536 1.00 0.00 O ATOM 1742 CB PHE A 116 -1.091 -7.961 1.766 1.00 0.00 C ATOM 1743 CG PHE A 116 0.202 -8.585 2.207 1.00 0.00 C ATOM 1744 CD1 PHE A 116 0.456 -8.808 3.551 1.00 0.00 C ATOM 1745 CD2 PHE A 116 1.164 -8.947 1.278 1.00 0.00 C ATOM 1746 CE1 PHE A 116 1.645 -9.382 3.960 1.00 0.00 C ATOM 1747 CE2 PHE A 116 2.354 -9.522 1.681 1.00 0.00 C ATOM 1748 CZ PHE A 116 2.596 -9.738 3.024 1.00 0.00 C ATOM 0 H PHE A 116 -3.532 -7.503 2.182 1.00 0.00 H new ATOM 0 HA PHE A 116 -2.090 -9.388 0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -0.917 -7.388 0.855 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.423 -7.255 2.528 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -0.284 -8.530 4.287 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.982 -8.778 0.227 1.00 0.00 H new ATOM 0 HE1 PHE A 116 1.830 -9.552 5.010 1.00 0.00 H new ATOM 0 HE2 PHE A 116 3.095 -9.802 0.947 1.00 0.00 H new ATOM 0 HZ PHE A 116 3.527 -10.184 3.341 1.00 0.00 H new ATOM 1758 N PHE A 117 -1.241 -11.093 2.208 1.00 0.00 N ATOM 1759 CA PHE A 117 -1.048 -12.246 3.080 1.00 0.00 C ATOM 1760 C PHE A 117 0.211 -13.016 2.693 1.00 0.00 C ATOM 1761 O PHE A 117 0.360 -13.450 1.550 1.00 0.00 O ATOM 1762 CB PHE A 117 -2.265 -13.171 3.015 1.00 0.00 C ATOM 1763 CG PHE A 117 -2.304 -14.025 1.780 1.00 0.00 C ATOM 1764 CD1 PHE A 117 -1.544 -15.180 1.696 1.00 0.00 C ATOM 1765 CD2 PHE A 117 -3.100 -13.672 0.702 1.00 0.00 C ATOM 1766 CE1 PHE A 117 -1.577 -15.967 0.561 1.00 0.00 C ATOM 1767 CE2 PHE A 117 -3.138 -14.456 -0.436 1.00 0.00 C ATOM 1768 CZ PHE A 117 -2.376 -15.605 -0.506 1.00 0.00 C ATOM 0 H PHE A 117 -0.667 -11.101 1.365 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.931 -11.882 4.101 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.268 -13.816 3.893 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.172 -12.568 3.059 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -0.918 -15.469 2.528 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -3.698 -12.774 0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -0.979 -16.864 0.508 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -3.763 -14.170 -1.269 1.00 0.00 H new ATOM 0 HZ PHE A 117 -2.405 -16.220 -1.393 1.00 0.00 H new ATOM 1778 N CYS A 118 1.115 -13.180 3.652 1.00 0.00 N ATOM 1779 CA CYS A 118 2.363 -13.896 3.413 1.00 0.00 C ATOM 1780 C CYS A 118 2.194 -15.388 3.679 1.00 0.00 C ATOM 1781 O CYS A 118 1.507 -15.786 4.619 1.00 0.00 O ATOM 1782 CB CYS A 118 3.477 -13.332 4.296 1.00 0.00 C ATOM 1783 SG CYS A 118 3.282 -13.699 6.055 1.00 0.00 S ATOM 0 H CYS A 118 1.007 -12.827 4.603 1.00 0.00 H new ATOM 0 HA CYS A 118 2.635 -13.760 2.366 1.00 0.00 H new ATOM 0 HB2 CYS A 118 4.433 -13.732 3.956 1.00 0.00 H new ATOM 0 HB3 CYS A 118 3.518 -12.251 4.164 1.00 0.00 H new ATOM 0 HG CYS A 118 2.456 -14.692 6.202 1.00 0.00 H new ATOM 1789 N GLU A 119 2.823 -16.209 2.843 1.00 0.00 N ATOM 1790 CA GLU A 119 2.739 -17.657 2.988 1.00 0.00 C ATOM 1791 C GLU A 119 4.126 -18.291 2.932 1.00 0.00 C ATOM 1792 O GLU A 119 4.824 -18.192 1.924 1.00 0.00 O ATOM 1793 CB GLU A 119 1.850 -18.251 1.893 1.00 0.00 C ATOM 1794 CG GLU A 119 2.166 -17.726 0.502 1.00 0.00 C ATOM 1795 CD GLU A 119 1.546 -18.570 -0.594 1.00 0.00 C ATOM 1796 OE1 GLU A 119 1.941 -19.748 -0.730 1.00 0.00 O ATOM 1797 OE2 GLU A 119 0.668 -18.055 -1.317 1.00 0.00 O ATOM 0 H GLU A 119 3.396 -15.896 2.059 1.00 0.00 H new ATOM 0 HA GLU A 119 2.298 -17.874 3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.959 -19.336 1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.807 -18.035 2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 119 1.806 -16.701 0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 119 3.247 -17.697 0.366 1.00 0.00 H new ATOM 1804 N GLU A 120 4.518 -18.942 4.023 1.00 0.00 N ATOM 1805 CA GLU A 120 5.822 -19.590 4.098 1.00 0.00 C ATOM 1806 C GLU A 120 5.786 -20.962 3.430 1.00 0.00 C ATOM 1807 O GLU A 120 5.000 -21.828 3.808 1.00 0.00 O ATOM 1808 CB GLU A 120 6.262 -19.733 5.557 1.00 0.00 C ATOM 1809 CG GLU A 120 6.698 -18.424 6.191 1.00 0.00 C ATOM 1810 CD GLU A 120 6.489 -18.405 7.693 1.00 0.00 C ATOM 1811 OE1 GLU A 120 6.413 -19.497 8.295 1.00 0.00 O ATOM 1812 OE2 GLU A 120 6.401 -17.299 8.267 1.00 0.00 O ATOM 0 H GLU A 120 3.952 -19.034 4.866 1.00 0.00 H new ATOM 0 HA GLU A 120 6.541 -18.965 3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.439 -20.152 6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 120 7.085 -20.445 5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 120 7.752 -18.252 5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 120 6.141 -17.603 5.740 1.00 0.00 H new ATOM 1819 N ASN A 121 6.645 -21.149 2.432 1.00 0.00 N ATOM 1820 CA ASN A 121 6.712 -22.414 1.710 1.00 0.00 C ATOM 1821 C ASN A 121 7.917 -23.235 2.160 1.00 0.00 C ATOM 1822 O ASN A 121 9.027 -23.050 1.661 1.00 0.00 O ATOM 1823 CB ASN A 121 6.787 -22.161 0.203 1.00 0.00 C ATOM 1824 CG ASN A 121 5.415 -22.044 -0.433 1.00 0.00 C ATOM 1825 OD1 ASN A 121 5.060 -22.825 -1.316 1.00 0.00 O ATOM 1826 ND2 ASN A 121 4.638 -21.065 0.014 1.00 0.00 N ATOM 0 H ASN A 121 7.303 -20.441 2.106 1.00 0.00 H new ATOM 0 HA ASN A 121 5.807 -22.979 1.933 1.00 0.00 H new ATOM 0 HB2 ASN A 121 7.349 -21.245 0.019 1.00 0.00 H new ATOM 0 HB3 ASN A 121 7.337 -22.974 -0.272 1.00 0.00 H new ATOM 0 HD21 ASN A 121 3.704 -20.936 -0.376 1.00 0.00 H new ATOM 0 HD22 ASN A 121 4.975 -20.441 0.748 1.00 0.00 H new ATOM 1833 N SER A 122 7.689 -24.142 3.104 1.00 0.00 N ATOM 1834 CA SER A 122 8.756 -24.989 3.624 1.00 0.00 C ATOM 1835 C SER A 122 8.208 -26.340 4.071 1.00 0.00 C ATOM 1836 O SER A 122 7.092 -26.433 4.581 1.00 0.00 O ATOM 1837 CB SER A 122 9.460 -24.298 4.794 1.00 0.00 C ATOM 1838 OG SER A 122 10.603 -25.029 5.205 1.00 0.00 O ATOM 0 H SER A 122 6.775 -24.309 3.525 1.00 0.00 H new ATOM 0 HA SER A 122 9.477 -25.156 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 122 9.755 -23.290 4.501 1.00 0.00 H new ATOM 0 HB3 SER A 122 8.768 -24.197 5.631 1.00 0.00 H new ATOM 0 HG SER A 122 11.036 -24.566 5.952 1.00 0.00 H new ATOM 1844 N GLY A 123 9.003 -27.388 3.875 1.00 0.00 N ATOM 1845 CA GLY A 123 8.581 -28.722 4.263 1.00 0.00 C ATOM 1846 C GLY A 123 8.577 -28.914 5.767 1.00 0.00 C ATOM 1847 O GLY A 123 9.315 -28.256 6.500 1.00 0.00 O ATOM 0 H GLY A 123 9.931 -27.337 3.455 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.581 -28.911 3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 123 9.245 -29.457 3.808 1.00 0.00 H new ATOM 1851 N PRO A 124 7.727 -29.834 6.247 1.00 0.00 N ATOM 1852 CA PRO A 124 7.608 -30.132 7.677 1.00 0.00 C ATOM 1853 C PRO A 124 8.841 -30.842 8.226 1.00 0.00 C ATOM 1854 O PRO A 124 9.658 -31.364 7.468 1.00 0.00 O ATOM 1855 CB PRO A 124 6.387 -31.051 7.748 1.00 0.00 C ATOM 1856 CG PRO A 124 6.311 -31.685 6.402 1.00 0.00 C ATOM 1857 CD PRO A 124 6.818 -30.655 5.430 1.00 0.00 C ATOM 0 HA PRO A 124 7.512 -29.226 8.275 1.00 0.00 H new ATOM 0 HB2 PRO A 124 6.500 -31.799 8.532 1.00 0.00 H new ATOM 0 HB3 PRO A 124 5.481 -30.489 7.972 1.00 0.00 H new ATOM 0 HG2 PRO A 124 6.917 -32.590 6.362 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.288 -31.975 6.165 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.338 -31.116 4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 124 6.005 -30.061 5.013 1.00 0.00 H new ATOM 1865 N SER A 125 8.970 -30.857 9.549 1.00 0.00 N ATOM 1866 CA SER A 125 10.106 -31.500 10.200 1.00 0.00 C ATOM 1867 C SER A 125 10.383 -32.867 9.581 1.00 0.00 C ATOM 1868 O SER A 125 11.508 -33.160 9.175 1.00 0.00 O ATOM 1869 CB SER A 125 9.844 -31.650 11.699 1.00 0.00 C ATOM 1870 OG SER A 125 9.876 -30.392 12.351 1.00 0.00 O ATOM 0 H SER A 125 8.302 -30.431 10.191 1.00 0.00 H new ATOM 0 HA SER A 125 10.983 -30.869 10.054 1.00 0.00 H new ATOM 0 HB2 SER A 125 8.873 -32.120 11.856 1.00 0.00 H new ATOM 0 HB3 SER A 125 10.592 -32.310 12.138 1.00 0.00 H new ATOM 0 HG SER A 125 9.704 -30.515 13.308 1.00 0.00 H new ATOM 1876 N SER A 126 9.349 -33.699 9.513 1.00 0.00 N ATOM 1877 CA SER A 126 9.481 -35.037 8.948 1.00 0.00 C ATOM 1878 C SER A 126 8.258 -35.396 8.110 1.00 0.00 C ATOM 1879 O SER A 126 7.138 -35.449 8.616 1.00 0.00 O ATOM 1880 CB SER A 126 9.670 -36.068 10.062 1.00 0.00 C ATOM 1881 OG SER A 126 11.035 -36.181 10.427 1.00 0.00 O ATOM 0 H SER A 126 8.411 -33.471 9.842 1.00 0.00 H new ATOM 0 HA SER A 126 10.359 -35.046 8.301 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.080 -35.780 10.932 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.297 -37.038 9.731 1.00 0.00 H new ATOM 0 HG SER A 126 11.129 -36.845 11.142 1.00 0.00 H new ATOM 1887 N GLY A 127 8.482 -35.642 6.822 1.00 0.00 N ATOM 1888 CA GLY A 127 7.389 -35.993 5.933 1.00 0.00 C ATOM 1889 C GLY A 127 6.462 -37.029 6.535 1.00 0.00 C ATOM 1890 O GLY A 127 5.484 -37.436 5.908 1.00 0.00 O ATOM 0 H GLY A 127 9.400 -35.605 6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 127 6.819 -35.096 5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 127 7.795 -36.374 4.996 1.00 0.00 H new TER 1894 GLY A 127