USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 810 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 65 MET CE :methyl -163:sc= -2.07! (180deg=-2.13!) USER MOD Set 1.2: A 70 ASN : amide:sc= -11.5! C(o=-14!,f=-20!) USER MOD Set 2.1: A 37 CYS SG : rot 132:sc= 0.974 USER MOD Set 2.2: A 40 CYS SG : rot 79:sc= -3.42 USER MOD Set 3.1: A 27 ASN : amide:sc= -1.34 X(o=-3.2,f=-3.4) USER MOD Set 3.2: A 59 ASN : amide:sc= -1.81 K(o=-3.2,f=-4.8) USER MOD Single : A 10 LYS NZ :NH3+ -147:sc= -2.7! (180deg=-4.37!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.884! K(o=-0.88!,f=-2.8) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -146:sc= 0.487 (180deg=-0.32) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0614 X(o=-0.061,f=-0.21) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.02) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 74:sc= 0.0319 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.916 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -4.92! C(o=-4.9!,f=-9.7!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 150:sc= 0 USER MOD Single : A 68 THR OG1 : rot -73:sc= -0.685! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= -0.624 K(o=-0.62,f=-1.6) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 105:sc= 0.903 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 37:sc= 0.0799 USER MOD Single : A 97 TYR OH : rot -75:sc= 0.755 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot -133:sc= 1.38 USER MOD Single : A 107 LYS NZ :NH3+ -146:sc= -0.072 (180deg=-1.59!) USER MOD Single : A 108 LYS NZ :NH3+ 137:sc= -0.191 (180deg=-1.04) USER MOD Single : A 112 SER OG : rot 84:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -5.117 -13.159 -2.329 1.00 0.00 N ATOM 67 CA PRO A 8 -3.894 -12.858 -1.578 1.00 0.00 C ATOM 68 C PRO A 8 -4.025 -11.591 -0.740 1.00 0.00 C ATOM 69 O PRO A 8 -3.675 -11.576 0.440 1.00 0.00 O ATOM 70 CB PRO A 8 -2.843 -12.668 -2.675 1.00 0.00 C ATOM 71 CG PRO A 8 -3.620 -12.255 -3.877 1.00 0.00 C ATOM 72 CD PRO A 8 -4.944 -12.962 -3.778 1.00 0.00 C ATOM 0 HA PRO A 8 -3.649 -13.645 -0.865 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.112 -11.909 -2.396 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.291 -13.590 -2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.756 -11.174 -3.901 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.098 -12.531 -4.793 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.751 -12.365 -4.202 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.934 -13.911 -4.314 1.00 0.00 H new ATOM 80 N VAL A 9 -4.532 -10.528 -1.358 1.00 0.00 N ATOM 81 CA VAL A 9 -4.711 -9.256 -0.668 1.00 0.00 C ATOM 82 C VAL A 9 -6.170 -8.816 -0.697 1.00 0.00 C ATOM 83 O VAL A 9 -6.822 -8.856 -1.741 1.00 0.00 O ATOM 84 CB VAL A 9 -3.840 -8.151 -1.294 1.00 0.00 C ATOM 85 CG1 VAL A 9 -3.792 -8.301 -2.807 1.00 0.00 C ATOM 86 CG2 VAL A 9 -4.360 -6.777 -0.902 1.00 0.00 C ATOM 0 H VAL A 9 -4.826 -10.523 -2.335 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.402 -9.410 0.366 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.825 -8.252 -0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.172 -7.511 -3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.368 -9.272 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.801 -8.227 -3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.733 -6.008 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.385 -6.662 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.336 -6.675 0.183 1.00 0.00 H new ATOM 96 N LYS A 10 -6.678 -8.394 0.456 1.00 0.00 N ATOM 97 CA LYS A 10 -8.060 -7.943 0.564 1.00 0.00 C ATOM 98 C LYS A 10 -8.285 -6.677 -0.256 1.00 0.00 C ATOM 99 O LYS A 10 -7.378 -5.862 -0.421 1.00 0.00 O ATOM 100 CB LYS A 10 -8.421 -7.685 2.029 1.00 0.00 C ATOM 101 CG LYS A 10 -9.025 -8.890 2.728 1.00 0.00 C ATOM 102 CD LYS A 10 -9.993 -8.473 3.823 1.00 0.00 C ATOM 103 CE LYS A 10 -11.410 -8.331 3.289 1.00 0.00 C ATOM 104 NZ LYS A 10 -11.570 -7.106 2.458 1.00 0.00 N ATOM 0 H LYS A 10 -6.153 -8.355 1.329 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.704 -8.729 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.524 -7.376 2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.126 -6.855 2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.545 -9.512 1.999 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.230 -9.499 3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.977 -9.211 4.625 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.669 -7.526 4.255 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.664 -9.209 2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.111 -8.298 4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.534 -6.732 2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.881 -6.388 2.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.407 -7.341 1.458 1.00 0.00 H new ATOM 118 N VAL A 11 -9.502 -6.517 -0.768 1.00 0.00 N ATOM 119 CA VAL A 11 -9.847 -5.349 -1.569 1.00 0.00 C ATOM 120 C VAL A 11 -10.893 -4.491 -0.867 1.00 0.00 C ATOM 121 O VAL A 11 -12.090 -4.775 -0.930 1.00 0.00 O ATOM 122 CB VAL A 11 -10.381 -5.757 -2.955 1.00 0.00 C ATOM 123 CG1 VAL A 11 -10.654 -4.526 -3.806 1.00 0.00 C ATOM 124 CG2 VAL A 11 -9.399 -6.689 -3.651 1.00 0.00 C ATOM 0 H VAL A 11 -10.265 -7.182 -0.642 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.932 -4.771 -1.696 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.321 -6.292 -2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.031 -4.834 -4.781 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.396 -3.899 -3.312 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.731 -3.961 -3.935 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.792 -6.967 -4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.442 -6.182 -3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.259 -7.586 -3.048 1.00 0.00 H new ATOM 134 N LEU A 12 -10.434 -3.439 -0.197 1.00 0.00 N ATOM 135 CA LEU A 12 -11.330 -2.537 0.518 1.00 0.00 C ATOM 136 C LEU A 12 -11.921 -1.495 -0.427 1.00 0.00 C ATOM 137 O LEU A 12 -11.287 -1.095 -1.403 1.00 0.00 O ATOM 138 CB LEU A 12 -10.583 -1.842 1.658 1.00 0.00 C ATOM 139 CG LEU A 12 -9.634 -2.722 2.472 1.00 0.00 C ATOM 140 CD1 LEU A 12 -8.680 -1.864 3.289 1.00 0.00 C ATOM 141 CD2 LEU A 12 -10.420 -3.659 3.377 1.00 0.00 C ATOM 0 H LEU A 12 -9.447 -3.190 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.146 -3.129 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.010 -1.015 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.318 -1.409 2.337 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.046 -3.326 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.012 -2.507 3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.093 -1.235 2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.251 -1.234 3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.728 -4.278 3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.034 -3.074 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.062 -4.298 2.770 1.00 0.00 H new ATOM 153 N VAL A 13 -13.140 -1.057 -0.128 1.00 0.00 N ATOM 154 CA VAL A 13 -13.816 -0.059 -0.948 1.00 0.00 C ATOM 155 C VAL A 13 -14.321 1.101 -0.097 1.00 0.00 C ATOM 156 O VAL A 13 -14.353 1.017 1.129 1.00 0.00 O ATOM 157 CB VAL A 13 -15.003 -0.673 -1.715 1.00 0.00 C ATOM 158 CG1 VAL A 13 -14.509 -1.476 -2.909 1.00 0.00 C ATOM 159 CG2 VAL A 13 -15.843 -1.540 -0.790 1.00 0.00 C ATOM 0 H VAL A 13 -13.679 -1.378 0.676 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.083 0.312 -1.664 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.631 0.137 -2.087 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.361 -1.902 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.953 -0.823 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.858 -2.279 -2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.677 -1.966 -1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.228 -2.344 -0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.227 -0.932 0.029 1.00 0.00 H new ATOM 169 N GLY A 14 -14.714 2.186 -0.759 1.00 0.00 N ATOM 170 CA GLY A 14 -15.213 3.348 -0.047 1.00 0.00 C ATOM 171 C GLY A 14 -16.553 3.093 0.614 1.00 0.00 C ATOM 172 O GLY A 14 -17.125 3.985 1.241 1.00 0.00 O ATOM 0 H GLY A 14 -14.696 2.280 -1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.488 3.644 0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.307 4.183 -0.742 1.00 0.00 H new ATOM 176 N LYS A 15 -17.057 1.872 0.473 1.00 0.00 N ATOM 177 CA LYS A 15 -18.339 1.500 1.061 1.00 0.00 C ATOM 178 C LYS A 15 -18.138 0.744 2.370 1.00 0.00 C ATOM 179 O LYS A 15 -18.796 1.031 3.370 1.00 0.00 O ATOM 180 CB LYS A 15 -19.142 0.641 0.081 1.00 0.00 C ATOM 181 CG LYS A 15 -20.566 0.372 0.536 1.00 0.00 C ATOM 182 CD LYS A 15 -21.283 -0.576 -0.411 1.00 0.00 C ATOM 183 CE LYS A 15 -21.019 -2.030 -0.050 1.00 0.00 C ATOM 184 NZ LYS A 15 -21.657 -2.966 -1.016 1.00 0.00 N ATOM 0 H LYS A 15 -16.597 1.122 -0.044 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.893 2.414 1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -19.167 1.138 -0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.629 -0.310 -0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -20.554 -0.054 1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -21.114 1.312 0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -22.355 -0.381 -0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -20.954 -0.388 -1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -19.944 -2.209 -0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -21.397 -2.230 0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -21.454 -3.947 -0.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -22.686 -2.813 -1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -21.278 -2.793 -1.969 1.00 0.00 H new ATOM 198 N ASN A 16 -17.225 -0.221 2.357 1.00 0.00 N ATOM 199 CA ASN A 16 -16.937 -1.017 3.545 1.00 0.00 C ATOM 200 C ASN A 16 -15.445 -1.003 3.861 1.00 0.00 C ATOM 201 O ASN A 16 -14.892 -1.991 4.346 1.00 0.00 O ATOM 202 CB ASN A 16 -17.414 -2.457 3.346 1.00 0.00 C ATOM 203 CG ASN A 16 -16.629 -3.184 2.271 1.00 0.00 C ATOM 204 OD1 ASN A 16 -17.065 -3.275 1.123 1.00 0.00 O ATOM 205 ND2 ASN A 16 -15.464 -3.705 2.639 1.00 0.00 N ATOM 0 H ASN A 16 -16.672 -0.471 1.537 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.472 -0.576 4.386 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.324 -3.000 4.287 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.471 -2.453 3.080 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -14.891 -4.205 1.959 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -15.142 -3.605 3.602 1.00 0.00 H new ATOM 212 N PHE A 17 -14.797 0.124 3.584 1.00 0.00 N ATOM 213 CA PHE A 17 -13.369 0.267 3.838 1.00 0.00 C ATOM 214 C PHE A 17 -13.072 0.189 5.333 1.00 0.00 C ATOM 215 O PHE A 17 -12.406 -0.737 5.795 1.00 0.00 O ATOM 216 CB PHE A 17 -12.860 1.596 3.275 1.00 0.00 C ATOM 217 CG PHE A 17 -11.706 2.171 4.045 1.00 0.00 C ATOM 218 CD1 PHE A 17 -10.457 1.572 3.998 1.00 0.00 C ATOM 219 CD2 PHE A 17 -11.869 3.311 4.815 1.00 0.00 C ATOM 220 CE1 PHE A 17 -9.394 2.098 4.707 1.00 0.00 C ATOM 221 CE2 PHE A 17 -10.809 3.842 5.526 1.00 0.00 C ATOM 222 CZ PHE A 17 -9.570 3.236 5.471 1.00 0.00 C ATOM 0 H PHE A 17 -15.239 0.951 3.183 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.853 -0.553 3.339 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.558 1.450 2.238 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.678 2.316 3.270 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.313 0.684 3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.836 3.791 4.860 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.426 1.620 4.664 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.950 4.730 6.124 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.740 3.650 6.024 1.00 0.00 H new ATOM 232 N GLU A 18 -13.571 1.167 6.081 1.00 0.00 N ATOM 233 CA GLU A 18 -13.358 1.210 7.523 1.00 0.00 C ATOM 234 C GLU A 18 -13.864 -0.068 8.186 1.00 0.00 C ATOM 235 O GLU A 18 -13.403 -0.446 9.263 1.00 0.00 O ATOM 236 CB GLU A 18 -14.061 2.425 8.130 1.00 0.00 C ATOM 237 CG GLU A 18 -13.794 3.720 7.380 1.00 0.00 C ATOM 238 CD GLU A 18 -14.818 3.987 6.294 1.00 0.00 C ATOM 239 OE1 GLU A 18 -15.830 3.257 6.239 1.00 0.00 O ATOM 240 OE2 GLU A 18 -14.607 4.927 5.499 1.00 0.00 O ATOM 0 H GLU A 18 -14.125 1.940 5.713 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.286 1.293 7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.135 2.241 8.149 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.739 2.541 9.165 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.793 4.551 8.086 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.800 3.679 6.935 1.00 0.00 H new ATOM 247 N ASP A 19 -14.816 -0.728 7.535 1.00 0.00 N ATOM 248 CA ASP A 19 -15.386 -1.963 8.059 1.00 0.00 C ATOM 249 C ASP A 19 -14.330 -3.061 8.131 1.00 0.00 C ATOM 250 O ASP A 19 -14.205 -3.752 9.142 1.00 0.00 O ATOM 251 CB ASP A 19 -16.556 -2.420 7.187 1.00 0.00 C ATOM 252 CG ASP A 19 -17.882 -1.850 7.652 1.00 0.00 C ATOM 253 OD1 ASP A 19 -18.000 -1.523 8.852 1.00 0.00 O ATOM 254 OD2 ASP A 19 -18.802 -1.731 6.816 1.00 0.00 O ATOM 0 H ASP A 19 -15.209 -0.428 6.643 1.00 0.00 H new ATOM 0 HA ASP A 19 -15.750 -1.767 9.068 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.376 -2.118 6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.609 -3.509 7.196 1.00 0.00 H new ATOM 259 N VAL A 20 -13.571 -3.218 7.050 1.00 0.00 N ATOM 260 CA VAL A 20 -12.526 -4.232 6.991 1.00 0.00 C ATOM 261 C VAL A 20 -11.183 -3.663 7.436 1.00 0.00 C ATOM 262 O VAL A 20 -10.520 -4.221 8.310 1.00 0.00 O ATOM 263 CB VAL A 20 -12.382 -4.807 5.569 1.00 0.00 C ATOM 264 CG1 VAL A 20 -11.149 -5.692 5.473 1.00 0.00 C ATOM 265 CG2 VAL A 20 -13.633 -5.577 5.177 1.00 0.00 C ATOM 0 H VAL A 20 -13.661 -2.655 6.204 1.00 0.00 H new ATOM 0 HA VAL A 20 -12.822 -5.032 7.670 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.260 -3.978 4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.064 -6.089 4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.261 -5.105 5.708 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.237 -6.517 6.180 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.514 -5.976 4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -13.789 -6.398 5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -14.494 -4.909 5.203 1.00 0.00 H new ATOM 275 N ALA A 21 -10.787 -2.550 6.828 1.00 0.00 N ATOM 276 CA ALA A 21 -9.524 -1.904 7.163 1.00 0.00 C ATOM 277 C ALA A 21 -9.398 -1.694 8.668 1.00 0.00 C ATOM 278 O ALA A 21 -8.517 -2.264 9.312 1.00 0.00 O ATOM 279 CB ALA A 21 -9.400 -0.576 6.430 1.00 0.00 C ATOM 0 H ALA A 21 -11.323 -2.077 6.101 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.713 -2.559 6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.452 -0.104 6.689 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.437 -0.749 5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.222 0.078 6.720 1.00 0.00 H new ATOM 285 N PHE A 22 -10.282 -0.871 9.222 1.00 0.00 N ATOM 286 CA PHE A 22 -10.268 -0.585 10.652 1.00 0.00 C ATOM 287 C PHE A 22 -10.893 -1.730 11.443 1.00 0.00 C ATOM 288 O PHE A 22 -12.106 -1.768 11.648 1.00 0.00 O ATOM 289 CB PHE A 22 -11.018 0.718 10.940 1.00 0.00 C ATOM 290 CG PHE A 22 -10.213 1.951 10.644 1.00 0.00 C ATOM 291 CD1 PHE A 22 -8.935 2.100 11.158 1.00 0.00 C ATOM 292 CD2 PHE A 22 -10.734 2.960 9.851 1.00 0.00 C ATOM 293 CE1 PHE A 22 -8.193 3.235 10.888 1.00 0.00 C ATOM 294 CE2 PHE A 22 -9.997 4.097 9.577 1.00 0.00 C ATOM 295 CZ PHE A 22 -8.724 4.233 10.095 1.00 0.00 C ATOM 0 H PHE A 22 -11.017 -0.391 8.703 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.230 -0.476 10.965 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -11.933 0.740 10.347 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.317 0.732 11.988 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.514 1.321 11.776 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.728 2.857 9.442 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.199 3.341 11.297 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -10.416 4.877 8.959 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.145 5.119 9.880 1.00 0.00 H new ATOM 305 N ASP A 23 -10.055 -2.663 11.884 1.00 0.00 N ATOM 306 CA ASP A 23 -10.524 -3.810 12.652 1.00 0.00 C ATOM 307 C ASP A 23 -9.744 -3.946 13.956 1.00 0.00 C ATOM 308 O ASP A 23 -8.516 -3.867 13.966 1.00 0.00 O ATOM 309 CB ASP A 23 -10.392 -5.091 11.828 1.00 0.00 C ATOM 310 CG ASP A 23 -11.138 -6.257 12.447 1.00 0.00 C ATOM 311 OD1 ASP A 23 -11.099 -6.396 13.687 1.00 0.00 O ATOM 312 OD2 ASP A 23 -11.762 -7.030 11.690 1.00 0.00 O ATOM 0 H ASP A 23 -9.048 -2.647 11.722 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.575 -3.650 12.893 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.772 -4.913 10.822 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.338 -5.349 11.729 1.00 0.00 H new ATOM 317 N GLU A 24 -10.466 -4.148 15.054 1.00 0.00 N ATOM 318 CA GLU A 24 -9.841 -4.293 16.363 1.00 0.00 C ATOM 319 C GLU A 24 -9.143 -5.644 16.486 1.00 0.00 C ATOM 320 O GLU A 24 -9.545 -6.624 15.857 1.00 0.00 O ATOM 321 CB GLU A 24 -10.886 -4.143 17.471 1.00 0.00 C ATOM 322 CG GLU A 24 -10.399 -4.608 18.833 1.00 0.00 C ATOM 323 CD GLU A 24 -11.140 -3.942 19.976 1.00 0.00 C ATOM 324 OE1 GLU A 24 -12.389 -3.968 19.969 1.00 0.00 O ATOM 325 OE2 GLU A 24 -10.471 -3.395 20.878 1.00 0.00 O ATOM 0 H GLU A 24 -11.484 -4.215 15.063 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.094 -3.507 16.470 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.184 -3.097 17.539 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.776 -4.711 17.199 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.519 -5.689 18.908 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.333 -4.398 18.925 1.00 0.00 H new ATOM 332 N LYS A 25 -8.095 -5.690 17.302 1.00 0.00 N ATOM 333 CA LYS A 25 -7.340 -6.920 17.510 1.00 0.00 C ATOM 334 C LYS A 25 -6.849 -7.488 16.182 1.00 0.00 C ATOM 335 O LYS A 25 -6.748 -8.704 16.015 1.00 0.00 O ATOM 336 CB LYS A 25 -8.203 -7.957 18.232 1.00 0.00 C ATOM 337 CG LYS A 25 -8.446 -7.632 19.696 1.00 0.00 C ATOM 338 CD LYS A 25 -7.155 -7.667 20.497 1.00 0.00 C ATOM 339 CE LYS A 25 -7.411 -7.431 21.977 1.00 0.00 C ATOM 340 NZ LYS A 25 -7.660 -8.705 22.708 1.00 0.00 N ATOM 0 H LYS A 25 -7.749 -4.889 17.830 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.473 -6.684 18.127 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.163 -8.037 17.722 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.721 -8.932 18.160 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.901 -6.645 19.780 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.155 -8.346 20.115 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.667 -8.632 20.360 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.471 -6.907 20.119 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.554 -6.922 22.417 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.270 -6.770 22.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.830 -8.501 23.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.493 -9.179 22.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.831 -9.326 22.616 1.00 0.00 H new ATOM 354 N LYS A 26 -6.543 -6.601 15.241 1.00 0.00 N ATOM 355 CA LYS A 26 -6.059 -7.014 13.929 1.00 0.00 C ATOM 356 C LYS A 26 -5.271 -5.891 13.262 1.00 0.00 C ATOM 357 O LYS A 26 -5.781 -4.787 13.077 1.00 0.00 O ATOM 358 CB LYS A 26 -7.232 -7.427 13.037 1.00 0.00 C ATOM 359 CG LYS A 26 -6.874 -7.517 11.564 1.00 0.00 C ATOM 360 CD LYS A 26 -6.225 -8.850 11.229 1.00 0.00 C ATOM 361 CE LYS A 26 -7.248 -9.975 11.196 1.00 0.00 C ATOM 362 NZ LYS A 26 -6.601 -11.308 11.049 1.00 0.00 N ATOM 0 H LYS A 26 -6.622 -5.591 15.363 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.396 -7.868 14.066 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.608 -8.394 13.371 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.043 -6.709 13.162 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.773 -7.387 10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.195 -6.705 11.303 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.727 -8.781 10.262 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.456 -9.077 11.967 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.838 -9.957 12.112 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.939 -9.813 10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.212 -11.930 10.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.683 -11.198 10.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.455 -11.729 11.989 1.00 0.00 H new ATOM 376 N ASN A 27 -4.025 -6.182 12.902 1.00 0.00 N ATOM 377 CA ASN A 27 -3.167 -5.196 12.255 1.00 0.00 C ATOM 378 C ASN A 27 -3.317 -5.257 10.738 1.00 0.00 C ATOM 379 O ASN A 27 -2.627 -6.023 10.065 1.00 0.00 O ATOM 380 CB ASN A 27 -1.705 -5.428 12.644 1.00 0.00 C ATOM 381 CG ASN A 27 -1.508 -5.483 14.146 1.00 0.00 C ATOM 382 OD1 ASN A 27 -1.360 -4.452 14.802 1.00 0.00 O ATOM 383 ND2 ASN A 27 -1.505 -6.691 14.699 1.00 0.00 N ATOM 0 H ASN A 27 -3.587 -7.092 13.047 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.473 -4.206 12.593 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.358 -6.361 12.200 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.090 -4.629 12.229 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.376 -6.791 15.706 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.631 -7.519 14.117 1.00 0.00 H new ATOM 390 N VAL A 28 -4.223 -4.443 10.206 1.00 0.00 N ATOM 391 CA VAL A 28 -4.464 -4.403 8.768 1.00 0.00 C ATOM 392 C VAL A 28 -3.606 -3.336 8.098 1.00 0.00 C ATOM 393 O VAL A 28 -3.571 -2.186 8.536 1.00 0.00 O ATOM 394 CB VAL A 28 -5.946 -4.126 8.454 1.00 0.00 C ATOM 395 CG1 VAL A 28 -6.186 -4.143 6.952 1.00 0.00 C ATOM 396 CG2 VAL A 28 -6.837 -5.139 9.157 1.00 0.00 C ATOM 0 H VAL A 28 -4.802 -3.802 10.749 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.195 -5.383 8.374 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.200 -3.133 8.826 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.239 -3.945 6.749 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.575 -3.375 6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.917 -5.120 6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.881 -4.929 8.924 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.585 -6.143 8.817 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.685 -5.072 10.234 1.00 0.00 H new ATOM 406 N PHE A 29 -2.914 -3.724 7.031 1.00 0.00 N ATOM 407 CA PHE A 29 -2.055 -2.801 6.299 1.00 0.00 C ATOM 408 C PHE A 29 -2.658 -2.458 4.940 1.00 0.00 C ATOM 409 O PHE A 29 -2.552 -3.232 3.989 1.00 0.00 O ATOM 410 CB PHE A 29 -0.662 -3.405 6.114 1.00 0.00 C ATOM 411 CG PHE A 29 0.322 -2.462 5.483 1.00 0.00 C ATOM 412 CD1 PHE A 29 0.115 -1.093 5.527 1.00 0.00 C ATOM 413 CD2 PHE A 29 1.454 -2.944 4.846 1.00 0.00 C ATOM 414 CE1 PHE A 29 1.019 -0.221 4.948 1.00 0.00 C ATOM 415 CE2 PHE A 29 2.361 -2.078 4.266 1.00 0.00 C ATOM 416 CZ PHE A 29 2.143 -0.715 4.316 1.00 0.00 C ATOM 0 H PHE A 29 -2.932 -4.672 6.654 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.971 -1.883 6.881 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.280 -3.720 7.085 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.742 -4.300 5.497 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.763 -0.702 6.019 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.629 -4.009 4.802 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.846 0.844 4.990 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.240 -2.467 3.774 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.850 -0.037 3.862 1.00 0.00 H new ATOM 426 N VAL A 30 -3.292 -1.293 4.858 1.00 0.00 N ATOM 427 CA VAL A 30 -3.912 -0.846 3.616 1.00 0.00 C ATOM 428 C VAL A 30 -2.883 -0.214 2.684 1.00 0.00 C ATOM 429 O VAL A 30 -1.814 0.209 3.121 1.00 0.00 O ATOM 430 CB VAL A 30 -5.038 0.170 3.884 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.792 0.484 2.601 1.00 0.00 C ATOM 432 CG2 VAL A 30 -5.984 -0.354 4.954 1.00 0.00 C ATOM 0 H VAL A 30 -3.390 -0.641 5.637 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.336 -1.729 3.139 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.590 1.095 4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.583 1.203 2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.104 0.905 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.230 -0.431 2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.774 0.376 5.131 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.426 -1.293 4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.431 -0.522 5.878 1.00 0.00 H new ATOM 442 N GLU A 31 -3.216 -0.153 1.399 1.00 0.00 N ATOM 443 CA GLU A 31 -2.320 0.428 0.406 1.00 0.00 C ATOM 444 C GLU A 31 -3.098 1.266 -0.605 1.00 0.00 C ATOM 445 O GLU A 31 -3.774 0.730 -1.483 1.00 0.00 O ATOM 446 CB GLU A 31 -1.543 -0.674 -0.319 1.00 0.00 C ATOM 447 CG GLU A 31 -0.983 -0.239 -1.663 1.00 0.00 C ATOM 448 CD GLU A 31 -0.422 -1.399 -2.463 1.00 0.00 C ATOM 449 OE1 GLU A 31 0.778 -1.705 -2.305 1.00 0.00 O ATOM 450 OE2 GLU A 31 -1.185 -2.001 -3.248 1.00 0.00 O ATOM 0 H GLU A 31 -4.098 -0.498 1.021 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.616 1.078 0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.723 -1.007 0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.199 -1.532 -0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.769 0.249 -2.239 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.199 0.501 -1.504 1.00 0.00 H new ATOM 457 N PHE A 32 -2.997 2.584 -0.474 1.00 0.00 N ATOM 458 CA PHE A 32 -3.692 3.497 -1.374 1.00 0.00 C ATOM 459 C PHE A 32 -2.920 3.668 -2.679 1.00 0.00 C ATOM 460 O PHE A 32 -1.994 4.474 -2.764 1.00 0.00 O ATOM 461 CB PHE A 32 -3.888 4.858 -0.702 1.00 0.00 C ATOM 462 CG PHE A 32 -4.760 4.805 0.520 1.00 0.00 C ATOM 463 CD1 PHE A 32 -6.140 4.840 0.404 1.00 0.00 C ATOM 464 CD2 PHE A 32 -4.199 4.719 1.784 1.00 0.00 C ATOM 465 CE1 PHE A 32 -6.945 4.790 1.526 1.00 0.00 C ATOM 466 CE2 PHE A 32 -4.999 4.669 2.909 1.00 0.00 C ATOM 467 CZ PHE A 32 -6.374 4.705 2.781 1.00 0.00 C ATOM 0 H PHE A 32 -2.441 3.044 0.247 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.668 3.069 -1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.914 5.261 -0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.327 5.549 -1.422 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.592 4.907 -0.575 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.125 4.691 1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.020 4.817 1.422 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.549 4.602 3.889 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.001 4.667 3.660 1.00 0.00 H new ATOM 477 N TYR A 33 -3.308 2.902 -3.693 1.00 0.00 N ATOM 478 CA TYR A 33 -2.652 2.965 -4.993 1.00 0.00 C ATOM 479 C TYR A 33 -3.496 3.750 -5.992 1.00 0.00 C ATOM 480 O TYR A 33 -4.647 4.089 -5.718 1.00 0.00 O ATOM 481 CB TYR A 33 -2.391 1.555 -5.525 1.00 0.00 C ATOM 482 CG TYR A 33 -3.651 0.810 -5.907 1.00 0.00 C ATOM 483 CD1 TYR A 33 -4.280 1.047 -7.123 1.00 0.00 C ATOM 484 CD2 TYR A 33 -4.210 -0.132 -5.052 1.00 0.00 C ATOM 485 CE1 TYR A 33 -5.431 0.369 -7.475 1.00 0.00 C ATOM 486 CE2 TYR A 33 -5.360 -0.815 -5.397 1.00 0.00 C ATOM 487 CZ TYR A 33 -5.967 -0.561 -6.609 1.00 0.00 C ATOM 488 OH TYR A 33 -7.112 -1.240 -6.958 1.00 0.00 O ATOM 0 H TYR A 33 -4.074 2.230 -3.639 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.700 3.480 -4.866 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.738 1.619 -6.396 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.856 0.983 -4.767 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.862 1.773 -7.804 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.737 -0.333 -4.102 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.909 0.566 -8.423 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.782 -1.544 -4.721 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.357 -1.859 -6.239 1.00 0.00 H new ATOM 498 N ALA A 34 -2.914 4.035 -7.153 1.00 0.00 N ATOM 499 CA ALA A 34 -3.612 4.778 -8.195 1.00 0.00 C ATOM 500 C ALA A 34 -3.540 4.047 -9.531 1.00 0.00 C ATOM 501 O ALA A 34 -2.493 3.540 -9.933 1.00 0.00 O ATOM 502 CB ALA A 34 -3.031 6.178 -8.325 1.00 0.00 C ATOM 0 H ALA A 34 -1.961 3.763 -7.395 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.661 4.858 -7.910 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.562 6.721 -9.107 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.140 6.707 -7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.974 6.111 -8.584 1.00 0.00 H new ATOM 508 N PRO A 35 -4.679 3.990 -10.237 1.00 0.00 N ATOM 509 CA PRO A 35 -4.771 3.323 -11.540 1.00 0.00 C ATOM 510 C PRO A 35 -4.017 4.075 -12.631 1.00 0.00 C ATOM 511 O PRO A 35 -3.901 3.598 -13.759 1.00 0.00 O ATOM 512 CB PRO A 35 -6.273 3.320 -11.832 1.00 0.00 C ATOM 513 CG PRO A 35 -6.812 4.473 -11.058 1.00 0.00 C ATOM 514 CD PRO A 35 -5.965 4.572 -9.819 1.00 0.00 C ATOM 0 HA PRO A 35 -4.325 2.329 -11.521 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.469 3.433 -12.898 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.735 2.383 -11.520 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.760 5.393 -11.641 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.860 4.316 -10.803 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.851 5.605 -9.492 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.404 4.021 -8.987 1.00 0.00 H new ATOM 522 N TRP A 36 -3.508 5.252 -12.286 1.00 0.00 N ATOM 523 CA TRP A 36 -2.765 6.071 -13.238 1.00 0.00 C ATOM 524 C TRP A 36 -1.334 6.297 -12.761 1.00 0.00 C ATOM 525 O TRP A 36 -0.393 6.264 -13.555 1.00 0.00 O ATOM 526 CB TRP A 36 -3.465 7.415 -13.442 1.00 0.00 C ATOM 527 CG TRP A 36 -4.228 7.876 -12.237 1.00 0.00 C ATOM 528 CD1 TRP A 36 -5.546 7.644 -11.963 1.00 0.00 C ATOM 529 CD2 TRP A 36 -3.719 8.650 -11.145 1.00 0.00 C ATOM 530 NE1 TRP A 36 -5.887 8.227 -10.767 1.00 0.00 N ATOM 531 CE2 TRP A 36 -4.784 8.850 -10.245 1.00 0.00 C ATOM 532 CE3 TRP A 36 -2.468 9.192 -10.840 1.00 0.00 C ATOM 533 CZ2 TRP A 36 -4.633 9.569 -9.062 1.00 0.00 C ATOM 534 CZ3 TRP A 36 -2.320 9.906 -9.666 1.00 0.00 C ATOM 535 CH2 TRP A 36 -3.397 10.088 -8.788 1.00 0.00 C ATOM 0 H TRP A 36 -3.596 5.661 -11.356 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.732 5.539 -14.189 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.721 8.168 -13.702 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.148 7.336 -14.288 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.221 7.084 -12.594 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.812 8.200 -10.337 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.632 9.055 -11.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.462 9.712 -8.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.358 10.331 -9.421 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.248 10.649 -7.877 1.00 0.00 H new ATOM 546 N CYS A 37 -1.177 6.524 -11.462 1.00 0.00 N ATOM 547 CA CYS A 37 0.140 6.756 -10.880 1.00 0.00 C ATOM 548 C CYS A 37 1.122 5.670 -11.306 1.00 0.00 C ATOM 549 O CYS A 37 0.931 4.493 -11.003 1.00 0.00 O ATOM 550 CB CYS A 37 0.045 6.804 -9.354 1.00 0.00 C ATOM 551 SG CYS A 37 1.587 7.271 -8.533 1.00 0.00 S ATOM 0 H CYS A 37 -1.945 6.552 -10.792 1.00 0.00 H new ATOM 0 HA CYS A 37 0.507 7.715 -11.245 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.734 7.512 -9.071 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.267 5.825 -8.989 1.00 0.00 H new ATOM 0 HG CYS A 37 1.346 8.195 -7.651 1.00 0.00 H new ATOM 557 N GLY A 38 2.173 6.073 -12.014 1.00 0.00 N ATOM 558 CA GLY A 38 3.168 5.121 -12.472 1.00 0.00 C ATOM 559 C GLY A 38 3.705 4.258 -11.349 1.00 0.00 C ATOM 560 O GLY A 38 3.453 3.053 -11.307 1.00 0.00 O ATOM 0 H GLY A 38 2.353 7.042 -12.278 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.729 4.482 -13.239 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.993 5.659 -12.939 1.00 0.00 H new ATOM 564 N HIS A 39 4.449 4.873 -10.435 1.00 0.00 N ATOM 565 CA HIS A 39 5.025 4.151 -9.306 1.00 0.00 C ATOM 566 C HIS A 39 4.039 3.125 -8.758 1.00 0.00 C ATOM 567 O HIS A 39 4.411 1.988 -8.462 1.00 0.00 O ATOM 568 CB HIS A 39 5.429 5.129 -8.202 1.00 0.00 C ATOM 569 CG HIS A 39 6.707 5.856 -8.483 1.00 0.00 C ATOM 570 ND1 HIS A 39 7.811 5.249 -9.045 1.00 0.00 N ATOM 571 CD2 HIS A 39 7.054 7.148 -8.279 1.00 0.00 C ATOM 572 CE1 HIS A 39 8.781 6.136 -9.172 1.00 0.00 C ATOM 573 NE2 HIS A 39 8.348 7.297 -8.716 1.00 0.00 N ATOM 0 H HIS A 39 4.667 5.869 -10.454 1.00 0.00 H new ATOM 0 HA HIS A 39 5.912 3.624 -9.657 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.630 5.857 -8.063 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.530 4.583 -7.264 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.430 7.919 -7.852 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.762 5.944 -9.580 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.886 8.163 -8.692 1.00 0.00 H new ATOM 582 N CYS A 40 2.782 3.532 -8.623 1.00 0.00 N ATOM 583 CA CYS A 40 1.742 2.648 -8.108 1.00 0.00 C ATOM 584 C CYS A 40 1.617 1.396 -8.971 1.00 0.00 C ATOM 585 O CYS A 40 1.475 0.286 -8.457 1.00 0.00 O ATOM 586 CB CYS A 40 0.401 3.381 -8.055 1.00 0.00 C ATOM 587 SG CYS A 40 0.295 4.632 -6.754 1.00 0.00 S ATOM 0 H CYS A 40 2.458 4.469 -8.863 1.00 0.00 H new ATOM 0 HA CYS A 40 2.023 2.346 -7.099 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.221 3.858 -9.018 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.395 2.651 -7.908 1.00 0.00 H new ATOM 0 HG CYS A 40 0.917 5.708 -7.135 1.00 0.00 H new ATOM 593 N LYS A 41 1.670 1.582 -10.285 1.00 0.00 N ATOM 594 CA LYS A 41 1.562 0.469 -11.221 1.00 0.00 C ATOM 595 C LYS A 41 2.619 -0.591 -10.929 1.00 0.00 C ATOM 596 O LYS A 41 2.453 -1.759 -11.280 1.00 0.00 O ATOM 597 CB LYS A 41 1.709 0.969 -12.660 1.00 0.00 C ATOM 598 CG LYS A 41 0.575 1.873 -13.109 1.00 0.00 C ATOM 599 CD LYS A 41 0.648 2.162 -14.599 1.00 0.00 C ATOM 600 CE LYS A 41 -0.703 2.590 -15.151 1.00 0.00 C ATOM 601 NZ LYS A 41 -1.549 1.421 -15.516 1.00 0.00 N ATOM 0 H LYS A 41 1.787 2.494 -10.727 1.00 0.00 H new ATOM 0 HA LYS A 41 0.577 0.018 -11.099 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.651 1.509 -12.754 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.765 0.111 -13.330 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.380 1.403 -12.875 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.614 2.810 -12.553 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.382 2.946 -14.783 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.993 1.273 -15.127 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.223 3.197 -14.409 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.554 3.218 -16.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.461 1.755 -15.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.065 0.856 -16.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.713 0.834 -14.673 1.00 0.00 H new ATOM 615 N GLN A 42 3.705 -0.176 -10.284 1.00 0.00 N ATOM 616 CA GLN A 42 4.788 -1.091 -9.945 1.00 0.00 C ATOM 617 C GLN A 42 4.533 -1.762 -8.599 1.00 0.00 C ATOM 618 O GLN A 42 5.083 -2.825 -8.309 1.00 0.00 O ATOM 619 CB GLN A 42 6.123 -0.345 -9.912 1.00 0.00 C ATOM 620 CG GLN A 42 6.415 0.436 -11.183 1.00 0.00 C ATOM 621 CD GLN A 42 6.493 -0.452 -12.409 1.00 0.00 C ATOM 622 OE1 GLN A 42 5.931 -0.133 -13.457 1.00 0.00 O ATOM 623 NE2 GLN A 42 7.190 -1.575 -12.284 1.00 0.00 N ATOM 0 H GLN A 42 3.858 0.787 -9.986 1.00 0.00 H new ATOM 0 HA GLN A 42 4.831 -1.864 -10.713 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.125 0.341 -9.065 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.926 -1.062 -9.743 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.638 1.186 -11.331 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.357 0.972 -11.067 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.640 -1.800 -11.397 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.276 -2.213 -13.075 1.00 0.00 H new ATOM 632 N LEU A 43 3.696 -1.134 -7.780 1.00 0.00 N ATOM 633 CA LEU A 43 3.368 -1.669 -6.464 1.00 0.00 C ATOM 634 C LEU A 43 2.256 -2.709 -6.560 1.00 0.00 C ATOM 635 O LEU A 43 2.054 -3.504 -5.643 1.00 0.00 O ATOM 636 CB LEU A 43 2.946 -0.540 -5.523 1.00 0.00 C ATOM 637 CG LEU A 43 3.054 -0.837 -4.026 1.00 0.00 C ATOM 638 CD1 LEU A 43 4.511 -0.980 -3.614 1.00 0.00 C ATOM 639 CD2 LEU A 43 2.373 0.256 -3.215 1.00 0.00 C ATOM 0 H LEU A 43 3.232 -0.254 -8.005 1.00 0.00 H new ATOM 0 HA LEU A 43 4.259 -2.153 -6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.555 0.337 -5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.913 -0.275 -5.747 1.00 0.00 H new ATOM 0 HG LEU A 43 2.547 -1.781 -3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.568 -1.191 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.968 -1.798 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.043 -0.053 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.460 0.028 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.851 1.214 -3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.320 0.310 -3.490 1.00 0.00 H new ATOM 651 N ALA A 44 1.538 -2.697 -7.679 1.00 0.00 N ATOM 652 CA ALA A 44 0.449 -3.641 -7.897 1.00 0.00 C ATOM 653 C ALA A 44 0.897 -5.071 -7.614 1.00 0.00 C ATOM 654 O ALA A 44 0.289 -5.793 -6.823 1.00 0.00 O ATOM 655 CB ALA A 44 -0.075 -3.523 -9.321 1.00 0.00 C ATOM 0 H ALA A 44 1.691 -2.044 -8.448 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.355 -3.396 -7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.888 -4.234 -9.470 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.442 -2.511 -9.491 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.729 -3.740 -10.024 1.00 0.00 H new ATOM 661 N PRO A 45 1.985 -5.493 -8.275 1.00 0.00 N ATOM 662 CA PRO A 45 2.539 -6.841 -8.110 1.00 0.00 C ATOM 663 C PRO A 45 3.173 -7.043 -6.738 1.00 0.00 C ATOM 664 O PRO A 45 2.868 -8.011 -6.040 1.00 0.00 O ATOM 665 CB PRO A 45 3.602 -6.924 -9.209 1.00 0.00 C ATOM 666 CG PRO A 45 3.997 -5.510 -9.461 1.00 0.00 C ATOM 667 CD PRO A 45 2.760 -4.687 -9.233 1.00 0.00 C ATOM 0 HA PRO A 45 1.770 -7.610 -8.183 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.455 -7.523 -8.890 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.204 -7.391 -10.110 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.799 -5.203 -8.789 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.368 -5.384 -10.478 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.001 -3.704 -8.829 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.209 -4.525 -10.159 1.00 0.00 H new ATOM 675 N ILE A 46 4.055 -6.125 -6.358 1.00 0.00 N ATOM 676 CA ILE A 46 4.731 -6.204 -5.069 1.00 0.00 C ATOM 677 C ILE A 46 3.725 -6.294 -3.926 1.00 0.00 C ATOM 678 O ILE A 46 3.945 -7.008 -2.948 1.00 0.00 O ATOM 679 CB ILE A 46 5.646 -4.986 -4.838 1.00 0.00 C ATOM 680 CG1 ILE A 46 6.676 -4.875 -5.963 1.00 0.00 C ATOM 681 CG2 ILE A 46 6.338 -5.093 -3.487 1.00 0.00 C ATOM 682 CD1 ILE A 46 7.100 -3.452 -6.256 1.00 0.00 C ATOM 0 H ILE A 46 4.318 -5.318 -6.924 1.00 0.00 H new ATOM 0 HA ILE A 46 5.340 -7.108 -5.086 1.00 0.00 H new ATOM 0 HB ILE A 46 5.034 -4.084 -4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.556 -5.461 -5.698 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.261 -5.316 -6.869 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.981 -4.226 -3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.589 -5.129 -2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.941 -6.001 -3.458 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.831 -3.449 -7.064 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.230 -2.867 -6.552 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.545 -3.014 -5.363 1.00 0.00 H new ATOM 694 N TRP A 47 2.622 -5.567 -4.058 1.00 0.00 N ATOM 695 CA TRP A 47 1.580 -5.566 -3.037 1.00 0.00 C ATOM 696 C TRP A 47 0.831 -6.894 -3.022 1.00 0.00 C ATOM 697 O TRP A 47 0.434 -7.382 -1.964 1.00 0.00 O ATOM 698 CB TRP A 47 0.601 -4.417 -3.279 1.00 0.00 C ATOM 699 CG TRP A 47 -0.302 -4.150 -2.112 1.00 0.00 C ATOM 700 CD1 TRP A 47 -1.662 -4.268 -2.085 1.00 0.00 C ATOM 701 CD2 TRP A 47 0.092 -3.717 -0.806 1.00 0.00 C ATOM 702 NE1 TRP A 47 -2.137 -3.936 -0.839 1.00 0.00 N ATOM 703 CE2 TRP A 47 -1.081 -3.595 -0.036 1.00 0.00 C ATOM 704 CE3 TRP A 47 1.322 -3.424 -0.210 1.00 0.00 C ATOM 705 CZ2 TRP A 47 -1.058 -3.191 1.296 1.00 0.00 C ATOM 706 CZ3 TRP A 47 1.343 -3.022 1.112 1.00 0.00 C ATOM 707 CH2 TRP A 47 0.159 -2.909 1.854 1.00 0.00 C ATOM 0 H TRP A 47 2.426 -4.970 -4.862 1.00 0.00 H new ATOM 0 HA TRP A 47 2.057 -5.429 -2.067 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.164 -3.512 -3.508 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -0.007 -4.645 -4.155 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.274 -4.577 -2.920 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.117 -3.942 -0.558 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.240 -3.510 -0.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.969 -3.103 1.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.288 -2.791 1.582 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.208 -2.593 2.886 1.00 0.00 H new ATOM 718 N ASP A 48 0.642 -7.474 -4.202 1.00 0.00 N ATOM 719 CA ASP A 48 -0.059 -8.748 -4.324 1.00 0.00 C ATOM 720 C ASP A 48 0.809 -9.896 -3.820 1.00 0.00 C ATOM 721 O ASP A 48 0.300 -10.923 -3.370 1.00 0.00 O ATOM 722 CB ASP A 48 -0.461 -8.996 -5.779 1.00 0.00 C ATOM 723 CG ASP A 48 -0.528 -10.472 -6.117 1.00 0.00 C ATOM 724 OD1 ASP A 48 -1.423 -11.162 -5.585 1.00 0.00 O ATOM 725 OD2 ASP A 48 0.314 -10.938 -6.914 1.00 0.00 O ATOM 0 H ASP A 48 0.964 -7.083 -5.087 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.958 -8.700 -3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.432 -8.539 -5.968 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.255 -8.507 -6.439 1.00 0.00 H new ATOM 730 N LYS A 49 2.123 -9.717 -3.899 1.00 0.00 N ATOM 731 CA LYS A 49 3.064 -10.737 -3.451 1.00 0.00 C ATOM 732 C LYS A 49 3.176 -10.743 -1.930 1.00 0.00 C ATOM 733 O LYS A 49 3.430 -11.783 -1.320 1.00 0.00 O ATOM 734 CB LYS A 49 4.441 -10.499 -4.074 1.00 0.00 C ATOM 735 CG LYS A 49 4.522 -10.889 -5.540 1.00 0.00 C ATOM 736 CD LYS A 49 5.548 -10.051 -6.284 1.00 0.00 C ATOM 737 CE LYS A 49 6.968 -10.470 -5.936 1.00 0.00 C ATOM 738 NZ LYS A 49 7.981 -9.628 -6.631 1.00 0.00 N ATOM 0 H LYS A 49 2.561 -8.874 -4.270 1.00 0.00 H new ATOM 0 HA LYS A 49 2.689 -11.708 -3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.699 -9.445 -3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.186 -11.065 -3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.783 -11.944 -5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.544 -10.766 -6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.391 -10.151 -7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.407 -8.999 -6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.114 -10.398 -4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.115 -11.515 -6.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.936 -9.945 -6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.858 -9.716 -7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.857 -8.634 -6.351 1.00 0.00 H new ATOM 752 N LEU A 50 2.985 -9.577 -1.323 1.00 0.00 N ATOM 753 CA LEU A 50 3.063 -9.449 0.128 1.00 0.00 C ATOM 754 C LEU A 50 1.755 -9.879 0.785 1.00 0.00 C ATOM 755 O LEU A 50 1.756 -10.485 1.855 1.00 0.00 O ATOM 756 CB LEU A 50 3.390 -8.005 0.515 1.00 0.00 C ATOM 757 CG LEU A 50 2.877 -7.543 1.879 1.00 0.00 C ATOM 758 CD1 LEU A 50 3.716 -8.143 2.997 1.00 0.00 C ATOM 759 CD2 LEU A 50 2.881 -6.024 1.964 1.00 0.00 C ATOM 0 H LEU A 50 2.775 -8.707 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 50 3.859 -10.104 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.473 -7.881 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.980 -7.344 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 50 1.851 -7.891 1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.336 -7.803 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.662 -9.231 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.753 -7.826 2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.513 -5.713 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.897 -5.654 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.236 -5.614 1.187 1.00 0.00 H new ATOM 771 N GLY A 51 0.640 -9.562 0.133 1.00 0.00 N ATOM 772 CA GLY A 51 -0.659 -9.926 0.667 1.00 0.00 C ATOM 773 C GLY A 51 -0.806 -11.421 0.869 1.00 0.00 C ATOM 774 O GLY A 51 -1.294 -11.868 1.906 1.00 0.00 O ATOM 0 H GLY A 51 0.614 -9.060 -0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.812 -9.417 1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.438 -9.576 -0.011 1.00 0.00 H new ATOM 778 N GLU A 52 -0.384 -12.195 -0.126 1.00 0.00 N ATOM 779 CA GLU A 52 -0.473 -13.649 -0.053 1.00 0.00 C ATOM 780 C GLU A 52 0.322 -14.184 1.135 1.00 0.00 C ATOM 781 O GLU A 52 -0.010 -15.225 1.702 1.00 0.00 O ATOM 782 CB GLU A 52 0.039 -14.279 -1.349 1.00 0.00 C ATOM 783 CG GLU A 52 1.552 -14.250 -1.485 1.00 0.00 C ATOM 784 CD GLU A 52 2.078 -15.351 -2.385 1.00 0.00 C ATOM 785 OE1 GLU A 52 1.534 -15.518 -3.497 1.00 0.00 O ATOM 786 OE2 GLU A 52 3.033 -16.045 -1.978 1.00 0.00 O ATOM 0 H GLU A 52 0.023 -11.840 -0.991 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.521 -13.917 0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.302 -15.313 -1.400 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.403 -13.756 -2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.859 -13.283 -1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.004 -14.346 -0.498 1.00 0.00 H new ATOM 793 N THR A 53 1.377 -13.464 1.506 1.00 0.00 N ATOM 794 CA THR A 53 2.221 -13.865 2.623 1.00 0.00 C ATOM 795 C THR A 53 1.459 -13.796 3.942 1.00 0.00 C ATOM 796 O THR A 53 1.586 -14.678 4.791 1.00 0.00 O ATOM 797 CB THR A 53 3.479 -12.981 2.723 1.00 0.00 C ATOM 798 OG1 THR A 53 4.250 -13.088 1.521 1.00 0.00 O ATOM 799 CG2 THR A 53 4.332 -13.386 3.916 1.00 0.00 C ATOM 0 H THR A 53 1.666 -12.600 1.048 1.00 0.00 H new ATOM 0 HA THR A 53 2.524 -14.895 2.435 1.00 0.00 H new ATOM 0 HB THR A 53 3.160 -11.948 2.859 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.802 -12.598 0.800 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.214 -12.748 3.966 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.752 -13.275 4.832 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.642 -14.425 3.806 1.00 0.00 H new ATOM 807 N TYR A 54 0.667 -12.742 4.106 1.00 0.00 N ATOM 808 CA TYR A 54 -0.115 -12.557 5.323 1.00 0.00 C ATOM 809 C TYR A 54 -1.608 -12.676 5.034 1.00 0.00 C ATOM 810 O TYR A 54 -2.429 -11.997 5.651 1.00 0.00 O ATOM 811 CB TYR A 54 0.188 -11.193 5.946 1.00 0.00 C ATOM 812 CG TYR A 54 1.656 -10.969 6.227 1.00 0.00 C ATOM 813 CD1 TYR A 54 2.533 -10.616 5.209 1.00 0.00 C ATOM 814 CD2 TYR A 54 2.167 -11.108 7.512 1.00 0.00 C ATOM 815 CE1 TYR A 54 3.875 -10.410 5.461 1.00 0.00 C ATOM 816 CE2 TYR A 54 3.508 -10.903 7.774 1.00 0.00 C ATOM 817 CZ TYR A 54 4.358 -10.555 6.745 1.00 0.00 C ATOM 818 OH TYR A 54 5.695 -10.350 7.001 1.00 0.00 O ATOM 0 H TYR A 54 0.550 -12.003 3.412 1.00 0.00 H new ATOM 0 HA TYR A 54 0.164 -13.341 6.027 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.169 -10.410 5.277 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.371 -11.096 6.877 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.159 -10.501 4.203 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.504 -11.381 8.320 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.543 -10.137 4.657 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.888 -11.015 8.779 1.00 0.00 H new ATOM 0 HH TYR A 54 5.871 -10.491 7.955 1.00 0.00 H new ATOM 828 N LYS A 55 -1.954 -13.546 4.091 1.00 0.00 N ATOM 829 CA LYS A 55 -3.348 -13.759 3.719 1.00 0.00 C ATOM 830 C LYS A 55 -4.061 -14.624 4.753 1.00 0.00 C ATOM 831 O LYS A 55 -5.261 -14.471 4.983 1.00 0.00 O ATOM 832 CB LYS A 55 -3.435 -14.417 2.340 1.00 0.00 C ATOM 833 CG LYS A 55 -3.052 -15.887 2.343 1.00 0.00 C ATOM 834 CD LYS A 55 -2.873 -16.418 0.931 1.00 0.00 C ATOM 835 CE LYS A 55 -1.874 -17.565 0.889 1.00 0.00 C ATOM 836 NZ LYS A 55 -2.128 -18.480 -0.257 1.00 0.00 N ATOM 0 H LYS A 55 -1.287 -14.116 3.570 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.841 -12.787 3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.452 -14.316 1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.783 -13.882 1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.127 -16.022 2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.822 -16.464 2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.834 -16.757 0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.533 -15.614 0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.863 -17.164 0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.927 -18.127 1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.426 -19.248 -0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.083 -18.883 -0.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.052 -17.949 -1.148 1.00 0.00 H new ATOM 850 N ASP A 56 -3.315 -15.532 5.374 1.00 0.00 N ATOM 851 CA ASP A 56 -3.876 -16.420 6.385 1.00 0.00 C ATOM 852 C ASP A 56 -3.238 -16.164 7.747 1.00 0.00 C ATOM 853 O ASP A 56 -3.174 -17.057 8.593 1.00 0.00 O ATOM 854 CB ASP A 56 -3.674 -17.881 5.980 1.00 0.00 C ATOM 855 CG ASP A 56 -2.330 -18.424 6.424 1.00 0.00 C ATOM 856 OD1 ASP A 56 -1.308 -18.058 5.806 1.00 0.00 O ATOM 857 OD2 ASP A 56 -2.300 -19.215 7.390 1.00 0.00 O ATOM 0 H ASP A 56 -2.321 -15.672 5.195 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.944 -16.216 6.460 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.469 -18.488 6.413 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.759 -17.970 4.897 1.00 0.00 H new ATOM 862 N HIS A 57 -2.765 -14.938 7.953 1.00 0.00 N ATOM 863 CA HIS A 57 -2.131 -14.565 9.212 1.00 0.00 C ATOM 864 C HIS A 57 -3.153 -14.525 10.344 1.00 0.00 C ATOM 865 O HIS A 57 -4.315 -14.883 10.156 1.00 0.00 O ATOM 866 CB HIS A 57 -1.446 -13.204 9.079 1.00 0.00 C ATOM 867 CG HIS A 57 -0.145 -13.114 9.814 1.00 0.00 C ATOM 868 ND1 HIS A 57 -0.042 -12.649 11.108 1.00 0.00 N ATOM 869 CD2 HIS A 57 1.113 -13.434 9.430 1.00 0.00 C ATOM 870 CE1 HIS A 57 1.223 -12.685 11.488 1.00 0.00 C ATOM 871 NE2 HIS A 57 1.944 -13.158 10.488 1.00 0.00 N ATOM 0 H HIS A 57 -2.809 -14.187 7.264 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.381 -15.319 9.450 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.273 -12.995 8.023 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.118 -12.430 9.451 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.408 -13.832 8.470 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.602 -12.380 12.452 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.955 -13.296 10.499 1.00 0.00 H new ATOM 880 N GLU A 58 -2.711 -14.087 11.519 1.00 0.00 N ATOM 881 CA GLU A 58 -3.588 -14.002 12.681 1.00 0.00 C ATOM 882 C GLU A 58 -4.007 -12.558 12.942 1.00 0.00 C ATOM 883 O GLU A 58 -5.186 -12.269 13.138 1.00 0.00 O ATOM 884 CB GLU A 58 -2.890 -14.574 13.917 1.00 0.00 C ATOM 885 CG GLU A 58 -1.628 -13.822 14.306 1.00 0.00 C ATOM 886 CD GLU A 58 -0.641 -14.691 15.060 1.00 0.00 C ATOM 887 OE1 GLU A 58 0.088 -15.466 14.407 1.00 0.00 O ATOM 888 OE2 GLU A 58 -0.597 -14.595 16.305 1.00 0.00 O ATOM 0 H GLU A 58 -1.752 -13.786 11.691 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.482 -14.589 12.473 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.585 -14.559 14.756 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.638 -15.618 13.731 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.150 -13.432 13.407 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.896 -12.964 14.923 1.00 0.00 H new ATOM 895 N ASN A 59 -3.031 -11.656 12.944 1.00 0.00 N ATOM 896 CA ASN A 59 -3.297 -10.242 13.182 1.00 0.00 C ATOM 897 C ASN A 59 -2.896 -9.402 11.973 1.00 0.00 C ATOM 898 O ASN A 59 -3.437 -8.318 11.752 1.00 0.00 O ATOM 899 CB ASN A 59 -2.543 -9.762 14.424 1.00 0.00 C ATOM 900 CG ASN A 59 -1.042 -9.719 14.208 1.00 0.00 C ATOM 901 OD1 ASN A 59 -0.517 -8.782 13.607 1.00 0.00 O ATOM 902 ND2 ASN A 59 -0.345 -10.736 14.700 1.00 0.00 N ATOM 0 H ASN A 59 -2.049 -11.879 12.783 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.368 -10.122 13.346 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.896 -8.768 14.699 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.768 -10.423 15.261 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.668 -10.762 14.587 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.823 -11.491 15.191 1.00 0.00 H new ATOM 909 N ILE A 60 -1.947 -9.910 11.195 1.00 0.00 N ATOM 910 CA ILE A 60 -1.475 -9.207 10.008 1.00 0.00 C ATOM 911 C ILE A 60 -2.364 -9.503 8.805 1.00 0.00 C ATOM 912 O ILE A 60 -2.395 -10.627 8.304 1.00 0.00 O ATOM 913 CB ILE A 60 -0.023 -9.591 9.667 1.00 0.00 C ATOM 914 CG1 ILE A 60 0.887 -9.353 10.873 1.00 0.00 C ATOM 915 CG2 ILE A 60 0.465 -8.799 8.463 1.00 0.00 C ATOM 916 CD1 ILE A 60 2.313 -9.807 10.652 1.00 0.00 C ATOM 0 H ILE A 60 -1.490 -10.806 11.365 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.516 -8.141 10.234 1.00 0.00 H new ATOM 0 HB ILE A 60 0.008 -10.651 9.417 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.886 -8.290 11.115 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.477 -9.877 11.736 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.493 -9.081 8.234 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.170 -9.014 7.604 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.423 -7.733 8.687 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.901 -9.608 11.548 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.326 -10.876 10.440 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.741 -9.265 9.809 1.00 0.00 H new ATOM 928 N VAL A 61 -3.085 -8.486 8.344 1.00 0.00 N ATOM 929 CA VAL A 61 -3.973 -8.635 7.197 1.00 0.00 C ATOM 930 C VAL A 61 -3.729 -7.538 6.167 1.00 0.00 C ATOM 931 O VAL A 61 -4.007 -6.364 6.418 1.00 0.00 O ATOM 932 CB VAL A 61 -5.452 -8.604 7.625 1.00 0.00 C ATOM 933 CG1 VAL A 61 -6.337 -8.195 6.457 1.00 0.00 C ATOM 934 CG2 VAL A 61 -5.875 -9.956 8.177 1.00 0.00 C ATOM 0 H VAL A 61 -3.072 -7.549 8.748 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.753 -9.604 6.749 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.568 -7.862 8.415 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.379 -8.179 6.778 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.048 -7.202 6.112 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.219 -8.911 5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.923 -9.916 8.475 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.745 -10.719 7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.261 -10.204 9.043 1.00 0.00 H new ATOM 944 N ILE A 62 -3.209 -7.927 5.008 1.00 0.00 N ATOM 945 CA ILE A 62 -2.930 -6.976 3.939 1.00 0.00 C ATOM 946 C ILE A 62 -4.196 -6.635 3.162 1.00 0.00 C ATOM 947 O ILE A 62 -5.051 -7.493 2.940 1.00 0.00 O ATOM 948 CB ILE A 62 -1.872 -7.523 2.962 1.00 0.00 C ATOM 949 CG1 ILE A 62 -0.584 -7.868 3.710 1.00 0.00 C ATOM 950 CG2 ILE A 62 -1.597 -6.511 1.860 1.00 0.00 C ATOM 951 CD1 ILE A 62 0.090 -6.668 4.338 1.00 0.00 C ATOM 0 H ILE A 62 -2.972 -8.894 4.785 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.544 -6.073 4.412 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.258 -8.434 2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.810 -8.597 4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.111 -8.345 3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.847 -6.911 1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.518 -6.311 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.229 -5.585 2.300 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.997 -6.987 4.852 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.347 -5.948 3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.588 -6.203 5.054 1.00 0.00 H new ATOM 963 N ALA A 63 -4.310 -5.377 2.749 1.00 0.00 N ATOM 964 CA ALA A 63 -5.470 -4.923 1.993 1.00 0.00 C ATOM 965 C ALA A 63 -5.107 -3.762 1.074 1.00 0.00 C ATOM 966 O ALA A 63 -4.188 -2.993 1.360 1.00 0.00 O ATOM 967 CB ALA A 63 -6.591 -4.518 2.939 1.00 0.00 C ATOM 0 H ALA A 63 -3.613 -4.654 2.926 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.814 -5.750 1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.451 -4.181 2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.878 -5.373 3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.248 -3.709 3.584 1.00 0.00 H new ATOM 973 N LYS A 64 -5.832 -3.640 -0.033 1.00 0.00 N ATOM 974 CA LYS A 64 -5.587 -2.572 -0.995 1.00 0.00 C ATOM 975 C LYS A 64 -6.856 -1.765 -1.247 1.00 0.00 C ATOM 976 O LYS A 64 -7.964 -2.294 -1.173 1.00 0.00 O ATOM 977 CB LYS A 64 -5.070 -3.154 -2.313 1.00 0.00 C ATOM 978 CG LYS A 64 -6.085 -4.024 -3.034 1.00 0.00 C ATOM 979 CD LYS A 64 -5.614 -4.390 -4.431 1.00 0.00 C ATOM 980 CE LYS A 64 -6.698 -5.116 -5.212 1.00 0.00 C ATOM 981 NZ LYS A 64 -6.139 -5.866 -6.371 1.00 0.00 N ATOM 0 H LYS A 64 -6.595 -4.268 -0.286 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.832 -1.907 -0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.773 -2.336 -2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.175 -3.744 -2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.260 -4.933 -2.459 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.037 -3.498 -3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.322 -3.486 -4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.728 -5.021 -4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.221 -5.807 -4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.434 -4.395 -5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.910 -6.347 -6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.662 -5.204 -7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.455 -6.572 -6.031 1.00 0.00 H new ATOM 995 N MET A 65 -6.685 -0.481 -1.546 1.00 0.00 N ATOM 996 CA MET A 65 -7.818 0.398 -1.812 1.00 0.00 C ATOM 997 C MET A 65 -7.432 1.502 -2.791 1.00 0.00 C ATOM 998 O MET A 65 -6.446 2.210 -2.586 1.00 0.00 O ATOM 999 CB MET A 65 -8.330 1.014 -0.508 1.00 0.00 C ATOM 1000 CG MET A 65 -9.728 1.600 -0.620 1.00 0.00 C ATOM 1001 SD MET A 65 -10.387 2.134 0.971 1.00 0.00 S ATOM 1002 CE MET A 65 -10.667 3.875 0.654 1.00 0.00 C ATOM 0 H MET A 65 -5.774 -0.027 -1.610 1.00 0.00 H new ATOM 0 HA MET A 65 -8.612 -0.200 -2.260 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.326 0.251 0.271 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.641 1.797 -0.191 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.708 2.449 -1.304 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.396 0.856 -1.054 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.782 4.403 1.600 1.00 0.00 H new ATOM 0 HE2 MET A 65 -9.818 4.287 0.109 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.572 3.996 0.059 1.00 0.00 H new ATOM 1012 N ASP A 66 -8.214 1.642 -3.856 1.00 0.00 N ATOM 1013 CA ASP A 66 -7.954 2.660 -4.867 1.00 0.00 C ATOM 1014 C ASP A 66 -8.521 4.010 -4.438 1.00 0.00 C ATOM 1015 O ASP A 66 -9.703 4.290 -4.641 1.00 0.00 O ATOM 1016 CB ASP A 66 -8.557 2.242 -6.209 1.00 0.00 C ATOM 1017 CG ASP A 66 -8.232 3.222 -7.320 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -7.428 4.146 -7.079 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -8.783 3.064 -8.430 1.00 0.00 O ATOM 0 H ASP A 66 -9.033 1.063 -4.041 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.874 2.759 -4.978 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.185 1.254 -6.479 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.639 2.158 -6.108 1.00 0.00 H new ATOM 1024 N SER A 67 -7.672 4.841 -3.844 1.00 0.00 N ATOM 1025 CA SER A 67 -8.090 6.159 -3.381 1.00 0.00 C ATOM 1026 C SER A 67 -8.706 6.965 -4.521 1.00 0.00 C ATOM 1027 O SER A 67 -9.587 7.798 -4.304 1.00 0.00 O ATOM 1028 CB SER A 67 -6.899 6.918 -2.792 1.00 0.00 C ATOM 1029 OG SER A 67 -7.325 7.876 -1.839 1.00 0.00 O ATOM 0 H SER A 67 -6.690 4.625 -3.672 1.00 0.00 H new ATOM 0 HA SER A 67 -8.844 6.022 -2.606 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.212 6.214 -2.322 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.349 7.415 -3.591 1.00 0.00 H new ATOM 0 HG SER A 67 -6.627 7.996 -1.161 1.00 0.00 H new ATOM 1035 N THR A 68 -8.237 6.709 -5.739 1.00 0.00 N ATOM 1036 CA THR A 68 -8.740 7.410 -6.914 1.00 0.00 C ATOM 1037 C THR A 68 -10.153 6.955 -7.262 1.00 0.00 C ATOM 1038 O THR A 68 -10.850 7.604 -8.041 1.00 0.00 O ATOM 1039 CB THR A 68 -7.826 7.189 -8.134 1.00 0.00 C ATOM 1040 OG1 THR A 68 -8.234 6.015 -8.845 1.00 0.00 O ATOM 1041 CG2 THR A 68 -6.374 7.048 -7.703 1.00 0.00 C ATOM 0 H THR A 68 -7.510 6.022 -5.937 1.00 0.00 H new ATOM 0 HA THR A 68 -8.753 8.472 -6.668 1.00 0.00 H new ATOM 0 HB THR A 68 -7.912 8.057 -8.787 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.976 5.218 -8.336 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.747 6.893 -8.581 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.058 7.955 -7.187 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.275 6.195 -7.031 1.00 0.00 H new ATOM 1049 N ALA A 69 -10.569 5.835 -6.680 1.00 0.00 N ATOM 1050 CA ALA A 69 -11.901 5.295 -6.928 1.00 0.00 C ATOM 1051 C ALA A 69 -12.763 5.365 -5.672 1.00 0.00 C ATOM 1052 O ALA A 69 -13.990 5.306 -5.747 1.00 0.00 O ATOM 1053 CB ALA A 69 -11.804 3.861 -7.425 1.00 0.00 C ATOM 0 H ALA A 69 -10.004 5.284 -6.034 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.376 5.903 -7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.805 3.470 -7.606 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.231 3.835 -8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.306 3.248 -6.674 1.00 0.00 H new ATOM 1059 N ASN A 70 -12.114 5.490 -4.519 1.00 0.00 N ATOM 1060 CA ASN A 70 -12.822 5.566 -3.247 1.00 0.00 C ATOM 1061 C ASN A 70 -12.403 6.807 -2.464 1.00 0.00 C ATOM 1062 O ASN A 70 -11.220 7.141 -2.401 1.00 0.00 O ATOM 1063 CB ASN A 70 -12.556 4.310 -2.415 1.00 0.00 C ATOM 1064 CG ASN A 70 -11.193 3.708 -2.697 1.00 0.00 C ATOM 1065 OD1 ASN A 70 -10.165 4.265 -2.312 1.00 0.00 O ATOM 1066 ND2 ASN A 70 -11.180 2.564 -3.371 1.00 0.00 N ATOM 0 H ASN A 70 -11.098 5.541 -4.440 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.889 5.634 -3.458 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.629 4.557 -1.356 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.328 3.569 -2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.293 2.111 -3.589 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.057 2.138 -3.670 1.00 0.00 H new ATOM 1073 N GLU A 71 -13.380 7.483 -1.869 1.00 0.00 N ATOM 1074 CA GLU A 71 -13.111 8.686 -1.091 1.00 0.00 C ATOM 1075 C GLU A 71 -13.575 8.515 0.353 1.00 0.00 C ATOM 1076 O GLU A 71 -14.746 8.234 0.611 1.00 0.00 O ATOM 1077 CB GLU A 71 -13.806 9.895 -1.722 1.00 0.00 C ATOM 1078 CG GLU A 71 -13.092 11.211 -1.464 1.00 0.00 C ATOM 1079 CD GLU A 71 -11.929 11.439 -2.410 1.00 0.00 C ATOM 1080 OE1 GLU A 71 -12.178 11.765 -3.589 1.00 0.00 O ATOM 1081 OE2 GLU A 71 -10.770 11.291 -1.970 1.00 0.00 O ATOM 0 H GLU A 71 -14.364 7.218 -1.911 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.034 8.854 -1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.883 9.738 -2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.823 9.961 -1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.803 12.031 -1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.728 11.227 -0.437 1.00 0.00 H new ATOM 1088 N VAL A 72 -12.649 8.687 1.291 1.00 0.00 N ATOM 1089 CA VAL A 72 -12.962 8.553 2.708 1.00 0.00 C ATOM 1090 C VAL A 72 -12.335 9.681 3.519 1.00 0.00 C ATOM 1091 O VAL A 72 -11.218 10.114 3.237 1.00 0.00 O ATOM 1092 CB VAL A 72 -12.473 7.203 3.265 1.00 0.00 C ATOM 1093 CG1 VAL A 72 -13.318 6.062 2.718 1.00 0.00 C ATOM 1094 CG2 VAL A 72 -11.003 6.992 2.938 1.00 0.00 C ATOM 0 H VAL A 72 -11.675 8.920 1.095 1.00 0.00 H new ATOM 0 HA VAL A 72 -14.047 8.604 2.798 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.582 7.217 4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.958 5.116 3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.358 6.208 3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.244 6.043 1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.675 6.033 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.866 6.999 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.413 7.793 3.383 1.00 0.00 H new ATOM 1104 N GLU A 73 -13.061 10.153 4.527 1.00 0.00 N ATOM 1105 CA GLU A 73 -12.575 11.232 5.379 1.00 0.00 C ATOM 1106 C GLU A 73 -11.668 10.690 6.480 1.00 0.00 C ATOM 1107 O GLU A 73 -10.876 11.428 7.066 1.00 0.00 O ATOM 1108 CB GLU A 73 -13.750 11.991 5.999 1.00 0.00 C ATOM 1109 CG GLU A 73 -14.601 11.143 6.929 1.00 0.00 C ATOM 1110 CD GLU A 73 -15.972 11.742 7.174 1.00 0.00 C ATOM 1111 OE1 GLU A 73 -16.045 12.953 7.468 1.00 0.00 O ATOM 1112 OE2 GLU A 73 -16.971 10.999 7.074 1.00 0.00 O ATOM 0 H GLU A 73 -13.988 9.805 4.774 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.996 11.917 4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.366 12.848 6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.380 12.383 5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.715 10.146 6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.085 11.025 7.882 1.00 0.00 H new ATOM 1119 N ALA A 74 -11.791 9.396 6.756 1.00 0.00 N ATOM 1120 CA ALA A 74 -10.982 8.754 7.785 1.00 0.00 C ATOM 1121 C ALA A 74 -9.518 8.682 7.366 1.00 0.00 C ATOM 1122 O ALA A 74 -8.640 8.416 8.187 1.00 0.00 O ATOM 1123 CB ALA A 74 -11.517 7.361 8.083 1.00 0.00 C ATOM 0 H ALA A 74 -12.443 8.772 6.281 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.044 9.357 8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.904 6.893 8.853 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.547 7.434 8.434 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.484 6.757 7.176 1.00 0.00 H new ATOM 1129 N VAL A 75 -9.261 8.919 6.084 1.00 0.00 N ATOM 1130 CA VAL A 75 -7.902 8.882 5.556 1.00 0.00 C ATOM 1131 C VAL A 75 -7.743 9.838 4.380 1.00 0.00 C ATOM 1132 O VAL A 75 -8.417 9.702 3.359 1.00 0.00 O ATOM 1133 CB VAL A 75 -7.514 7.461 5.106 1.00 0.00 C ATOM 1134 CG1 VAL A 75 -6.321 7.507 4.163 1.00 0.00 C ATOM 1135 CG2 VAL A 75 -7.218 6.582 6.312 1.00 0.00 C ATOM 0 H VAL A 75 -9.976 9.139 5.391 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.239 9.193 6.364 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.356 7.026 4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.061 6.494 3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.575 8.099 3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.471 7.961 4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.946 5.582 5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.393 7.011 6.881 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.103 6.523 6.945 1.00 0.00 H new ATOM 1145 N LYS A 76 -6.845 10.806 4.529 1.00 0.00 N ATOM 1146 CA LYS A 76 -6.594 11.785 3.478 1.00 0.00 C ATOM 1147 C LYS A 76 -5.287 11.482 2.752 1.00 0.00 C ATOM 1148 O LYS A 76 -4.206 11.582 3.331 1.00 0.00 O ATOM 1149 CB LYS A 76 -6.546 13.196 4.069 1.00 0.00 C ATOM 1150 CG LYS A 76 -7.911 13.748 4.440 1.00 0.00 C ATOM 1151 CD LYS A 76 -8.657 14.259 3.218 1.00 0.00 C ATOM 1152 CE LYS A 76 -10.162 14.251 3.440 1.00 0.00 C ATOM 1153 NZ LYS A 76 -10.908 14.551 2.187 1.00 0.00 N ATOM 0 H LYS A 76 -6.279 10.933 5.368 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.411 11.726 2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.914 13.187 4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.076 13.866 3.349 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.499 12.970 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.794 14.557 5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.328 15.272 2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.412 13.639 2.355 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.468 13.276 3.821 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.421 14.986 4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.930 14.536 2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.635 15.492 1.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.681 13.835 1.468 1.00 0.00 H new ATOM 1167 N VAL A 77 -5.394 11.112 1.480 1.00 0.00 N ATOM 1168 CA VAL A 77 -4.221 10.796 0.674 1.00 0.00 C ATOM 1169 C VAL A 77 -4.014 11.832 -0.425 1.00 0.00 C ATOM 1170 O VAL A 77 -4.855 11.991 -1.310 1.00 0.00 O ATOM 1171 CB VAL A 77 -4.340 9.401 0.032 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -3.000 8.959 -0.536 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -4.857 8.391 1.046 1.00 0.00 C ATOM 0 H VAL A 77 -6.282 11.024 0.985 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.363 10.807 1.346 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.055 9.457 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.103 7.971 -0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.674 9.671 -1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.261 8.918 0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.935 7.411 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.167 8.336 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.839 8.702 1.401 1.00 0.00 H new ATOM 1183 N HIS A 78 -2.888 12.536 -0.362 1.00 0.00 N ATOM 1184 CA HIS A 78 -2.569 13.558 -1.353 1.00 0.00 C ATOM 1185 C HIS A 78 -1.355 13.150 -2.182 1.00 0.00 C ATOM 1186 O HIS A 78 -0.627 14.001 -2.694 1.00 0.00 O ATOM 1187 CB HIS A 78 -2.306 14.899 -0.667 1.00 0.00 C ATOM 1188 CG HIS A 78 -3.246 15.189 0.462 1.00 0.00 C ATOM 1189 ND1 HIS A 78 -2.834 15.719 1.667 1.00 0.00 N ATOM 1190 CD2 HIS A 78 -4.585 15.020 0.565 1.00 0.00 C ATOM 1191 CE1 HIS A 78 -3.879 15.863 2.462 1.00 0.00 C ATOM 1192 NE2 HIS A 78 -4.954 15.447 1.817 1.00 0.00 N ATOM 0 H HIS A 78 -2.182 12.418 0.364 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.424 13.662 -2.021 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -1.284 14.910 -0.289 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.382 15.697 -1.406 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -1.873 15.962 1.907 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.241 14.623 -0.196 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -3.858 16.254 3.468 1.00 0.00 H new ATOM 1201 N SER A 79 -1.143 11.844 -2.310 1.00 0.00 N ATOM 1202 CA SER A 79 -0.015 11.324 -3.073 1.00 0.00 C ATOM 1203 C SER A 79 -0.117 9.810 -3.231 1.00 0.00 C ATOM 1204 O SER A 79 -0.948 9.163 -2.593 1.00 0.00 O ATOM 1205 CB SER A 79 1.303 11.688 -2.387 1.00 0.00 C ATOM 1206 OG SER A 79 1.350 11.176 -1.066 1.00 0.00 O ATOM 0 H SER A 79 -1.738 11.127 -1.895 1.00 0.00 H new ATOM 0 HA SER A 79 -0.039 11.778 -4.064 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.138 11.291 -2.964 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.417 12.772 -2.364 1.00 0.00 H new ATOM 0 HG SER A 79 2.203 11.421 -0.650 1.00 0.00 H new ATOM 1212 N PHE A 80 0.733 9.252 -4.087 1.00 0.00 N ATOM 1213 CA PHE A 80 0.738 7.814 -4.331 1.00 0.00 C ATOM 1214 C PHE A 80 2.046 7.379 -4.985 1.00 0.00 C ATOM 1215 O PHE A 80 2.700 8.144 -5.693 1.00 0.00 O ATOM 1216 CB PHE A 80 -0.445 7.422 -5.218 1.00 0.00 C ATOM 1217 CG PHE A 80 -1.696 8.201 -4.929 1.00 0.00 C ATOM 1218 CD1 PHE A 80 -1.921 9.426 -5.536 1.00 0.00 C ATOM 1219 CD2 PHE A 80 -2.647 7.709 -4.050 1.00 0.00 C ATOM 1220 CE1 PHE A 80 -3.071 10.146 -5.271 1.00 0.00 C ATOM 1221 CE2 PHE A 80 -3.799 8.423 -3.781 1.00 0.00 C ATOM 1222 CZ PHE A 80 -4.012 9.643 -4.393 1.00 0.00 C ATOM 0 H PHE A 80 1.427 9.773 -4.623 1.00 0.00 H new ATOM 0 HA PHE A 80 0.646 7.307 -3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.169 7.567 -6.262 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.650 6.359 -5.087 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.189 9.823 -6.224 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.486 6.756 -3.569 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.234 11.100 -5.750 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.532 8.028 -3.093 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.912 10.203 -4.186 1.00 0.00 H new ATOM 1232 N PRO A 81 2.437 6.119 -4.743 1.00 0.00 N ATOM 1233 CA PRO A 81 1.666 5.199 -3.902 1.00 0.00 C ATOM 1234 C PRO A 81 1.697 5.595 -2.430 1.00 0.00 C ATOM 1235 O PRO A 81 2.715 6.070 -1.925 1.00 0.00 O ATOM 1236 CB PRO A 81 2.369 3.855 -4.109 1.00 0.00 C ATOM 1237 CG PRO A 81 3.763 4.212 -4.495 1.00 0.00 C ATOM 1238 CD PRO A 81 3.662 5.496 -5.272 1.00 0.00 C ATOM 0 HA PRO A 81 0.610 5.189 -4.171 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.352 3.255 -3.199 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.881 3.268 -4.887 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.392 4.338 -3.614 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.214 3.425 -5.099 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.535 6.130 -5.116 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.589 5.312 -6.344 1.00 0.00 H new ATOM 1246 N THR A 82 0.576 5.396 -1.744 1.00 0.00 N ATOM 1247 CA THR A 82 0.475 5.733 -0.330 1.00 0.00 C ATOM 1248 C THR A 82 0.143 4.503 0.507 1.00 0.00 C ATOM 1249 O THR A 82 -0.804 3.774 0.209 1.00 0.00 O ATOM 1250 CB THR A 82 -0.598 6.811 -0.085 1.00 0.00 C ATOM 1251 OG1 THR A 82 -0.100 8.096 -0.475 1.00 0.00 O ATOM 1252 CG2 THR A 82 -1.007 6.844 1.380 1.00 0.00 C ATOM 0 H THR A 82 -0.275 5.003 -2.145 1.00 0.00 H new ATOM 0 HA THR A 82 1.447 6.122 -0.028 1.00 0.00 H new ATOM 0 HB THR A 82 -1.474 6.564 -0.685 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.512 8.363 -1.323 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.765 7.613 1.529 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.413 5.874 1.666 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.136 7.069 1.996 1.00 0.00 H new ATOM 1260 N LEU A 83 0.927 4.277 1.554 1.00 0.00 N ATOM 1261 CA LEU A 83 0.716 3.133 2.436 1.00 0.00 C ATOM 1262 C LEU A 83 0.433 3.591 3.863 1.00 0.00 C ATOM 1263 O LEU A 83 1.090 4.496 4.378 1.00 0.00 O ATOM 1264 CB LEU A 83 1.939 2.215 2.415 1.00 0.00 C ATOM 1265 CG LEU A 83 2.397 1.738 1.036 1.00 0.00 C ATOM 1266 CD1 LEU A 83 3.626 0.851 1.159 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.272 0.998 0.327 1.00 0.00 C ATOM 0 H LEU A 83 1.715 4.870 1.814 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.151 2.580 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.769 2.738 2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.722 1.339 3.026 1.00 0.00 H new ATOM 0 HG LEU A 83 2.663 2.611 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.937 0.521 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.435 1.413 1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.388 -0.018 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.616 0.666 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.975 0.133 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.418 1.665 0.205 1.00 0.00 H new ATOM 1279 N LYS A 84 -0.546 2.957 4.499 1.00 0.00 N ATOM 1280 CA LYS A 84 -0.914 3.296 5.869 1.00 0.00 C ATOM 1281 C LYS A 84 -1.161 2.036 6.693 1.00 0.00 C ATOM 1282 O LYS A 84 -1.960 1.180 6.312 1.00 0.00 O ATOM 1283 CB LYS A 84 -2.165 4.178 5.879 1.00 0.00 C ATOM 1284 CG LYS A 84 -2.103 5.333 4.895 1.00 0.00 C ATOM 1285 CD LYS A 84 -2.895 6.531 5.390 1.00 0.00 C ATOM 1286 CE LYS A 84 -2.611 7.770 4.555 1.00 0.00 C ATOM 1287 NZ LYS A 84 -1.410 8.504 5.040 1.00 0.00 N ATOM 0 H LYS A 84 -1.099 2.205 4.088 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.086 3.845 6.316 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.035 3.563 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.311 4.575 6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.064 5.623 4.738 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.494 5.011 3.930 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.960 6.304 5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.645 6.728 6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.464 7.480 3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.476 8.432 4.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.251 9.342 4.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.560 8.803 6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.579 7.881 4.990 1.00 0.00 H new ATOM 1301 N PHE A 85 -0.472 1.930 7.824 1.00 0.00 N ATOM 1302 CA PHE A 85 -0.617 0.775 8.702 1.00 0.00 C ATOM 1303 C PHE A 85 -1.674 1.034 9.772 1.00 0.00 C ATOM 1304 O PHE A 85 -1.602 2.020 10.506 1.00 0.00 O ATOM 1305 CB PHE A 85 0.722 0.439 9.363 1.00 0.00 C ATOM 1306 CG PHE A 85 0.623 -0.640 10.403 1.00 0.00 C ATOM 1307 CD1 PHE A 85 0.689 -1.976 10.043 1.00 0.00 C ATOM 1308 CD2 PHE A 85 0.464 -0.317 11.741 1.00 0.00 C ATOM 1309 CE1 PHE A 85 0.597 -2.970 10.999 1.00 0.00 C ATOM 1310 CE2 PHE A 85 0.372 -1.307 12.702 1.00 0.00 C ATOM 1311 CZ PHE A 85 0.439 -2.636 12.330 1.00 0.00 C ATOM 0 H PHE A 85 0.192 2.630 8.154 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.938 -0.072 8.096 1.00 0.00 H new ATOM 0 HB2 PHE A 85 1.430 0.128 8.594 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.127 1.340 9.823 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.814 -2.244 9.004 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.411 0.720 12.037 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.649 -4.008 10.705 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.248 -1.042 13.742 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.368 -3.412 13.078 1.00 0.00 H new ATOM 1321 N PHE A 86 -2.655 0.142 9.853 1.00 0.00 N ATOM 1322 CA PHE A 86 -3.729 0.274 10.831 1.00 0.00 C ATOM 1323 C PHE A 86 -3.573 -0.751 11.951 1.00 0.00 C ATOM 1324 O PHE A 86 -3.849 -1.939 11.782 1.00 0.00 O ATOM 1325 CB PHE A 86 -5.090 0.102 10.153 1.00 0.00 C ATOM 1326 CG PHE A 86 -5.305 1.037 8.997 1.00 0.00 C ATOM 1327 CD1 PHE A 86 -4.465 2.121 8.799 1.00 0.00 C ATOM 1328 CD2 PHE A 86 -6.348 0.832 8.108 1.00 0.00 C ATOM 1329 CE1 PHE A 86 -4.661 2.983 7.737 1.00 0.00 C ATOM 1330 CE2 PHE A 86 -6.548 1.690 7.044 1.00 0.00 C ATOM 1331 CZ PHE A 86 -5.704 2.768 6.858 1.00 0.00 C ATOM 0 H PHE A 86 -2.729 -0.680 9.254 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.671 1.272 11.265 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.185 -0.925 9.802 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.877 0.261 10.890 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.647 2.294 9.483 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.012 -0.008 8.249 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.999 3.824 7.595 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.364 1.518 6.358 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.860 3.441 6.027 1.00 0.00 H new ATOM 1341 N PRO A 87 -3.120 -0.282 13.123 1.00 0.00 N ATOM 1342 CA PRO A 87 -2.917 -1.140 14.294 1.00 0.00 C ATOM 1343 C PRO A 87 -4.233 -1.631 14.888 1.00 0.00 C ATOM 1344 O PRO A 87 -5.310 -1.202 14.475 1.00 0.00 O ATOM 1345 CB PRO A 87 -2.192 -0.224 15.283 1.00 0.00 C ATOM 1346 CG PRO A 87 -2.595 1.155 14.888 1.00 0.00 C ATOM 1347 CD PRO A 87 -2.771 1.123 13.395 1.00 0.00 C ATOM 0 HA PRO A 87 -2.363 -2.045 14.045 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.483 -0.442 16.311 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.111 -0.353 15.223 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.520 1.448 15.384 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.835 1.881 15.176 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.558 1.803 13.068 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.859 1.418 12.876 1.00 0.00 H new ATOM 1355 N ALA A 88 -4.138 -2.533 15.859 1.00 0.00 N ATOM 1356 CA ALA A 88 -5.321 -3.080 16.512 1.00 0.00 C ATOM 1357 C ALA A 88 -5.927 -2.073 17.484 1.00 0.00 C ATOM 1358 O ALA A 88 -6.156 -2.385 18.653 1.00 0.00 O ATOM 1359 CB ALA A 88 -4.975 -4.373 17.235 1.00 0.00 C ATOM 0 H ALA A 88 -3.254 -2.901 16.211 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.063 -3.295 15.743 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.868 -4.770 17.718 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.596 -5.101 16.517 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.212 -4.176 17.988 1.00 0.00 H new ATOM 1422 N THR A 93 -6.922 4.445 14.407 1.00 0.00 N ATOM 1423 CA THR A 93 -5.560 4.960 14.345 1.00 0.00 C ATOM 1424 C THR A 93 -4.901 4.613 13.015 1.00 0.00 C ATOM 1425 O THR A 93 -5.093 3.520 12.482 1.00 0.00 O ATOM 1426 CB THR A 93 -4.697 4.404 15.493 1.00 0.00 C ATOM 1427 OG1 THR A 93 -5.313 4.692 16.753 1.00 0.00 O ATOM 1428 CG2 THR A 93 -3.298 5.002 15.458 1.00 0.00 C ATOM 0 HA THR A 93 -5.627 6.044 14.442 1.00 0.00 H new ATOM 0 HB THR A 93 -4.616 3.324 15.367 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.286 4.617 16.666 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.707 4.594 16.278 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.821 4.756 14.510 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.363 6.085 15.561 1.00 0.00 H new ATOM 1436 N VAL A 94 -4.122 5.550 12.483 1.00 0.00 N ATOM 1437 CA VAL A 94 -3.433 5.342 11.215 1.00 0.00 C ATOM 1438 C VAL A 94 -1.951 5.680 11.334 1.00 0.00 C ATOM 1439 O VAL A 94 -1.584 6.726 11.870 1.00 0.00 O ATOM 1440 CB VAL A 94 -4.055 6.193 10.092 1.00 0.00 C ATOM 1441 CG1 VAL A 94 -3.137 6.230 8.880 1.00 0.00 C ATOM 1442 CG2 VAL A 94 -5.428 5.657 9.716 1.00 0.00 C ATOM 0 H VAL A 94 -3.952 6.460 12.911 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.543 4.287 10.964 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.176 7.213 10.457 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.593 6.836 8.097 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.178 6.664 9.163 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.981 5.216 8.510 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.853 6.270 8.921 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.334 4.628 9.370 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.082 5.688 10.587 1.00 0.00 H new ATOM 1452 N ILE A 95 -1.105 4.789 10.829 1.00 0.00 N ATOM 1453 CA ILE A 95 0.338 4.993 10.877 1.00 0.00 C ATOM 1454 C ILE A 95 0.907 5.219 9.481 1.00 0.00 C ATOM 1455 O ILE A 95 0.516 4.551 8.524 1.00 0.00 O ATOM 1456 CB ILE A 95 1.055 3.795 11.525 1.00 0.00 C ATOM 1457 CG1 ILE A 95 0.657 3.668 12.997 1.00 0.00 C ATOM 1458 CG2 ILE A 95 2.563 3.944 11.389 1.00 0.00 C ATOM 1459 CD1 ILE A 95 1.299 2.491 13.697 1.00 0.00 C ATOM 0 H ILE A 95 -1.393 3.919 10.382 1.00 0.00 H new ATOM 0 HA ILE A 95 0.512 5.881 11.485 1.00 0.00 H new ATOM 0 HB ILE A 95 0.751 2.885 11.007 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.931 4.585 13.519 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.427 3.574 13.065 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.056 3.089 11.852 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.830 3.989 10.333 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.884 4.860 11.884 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.972 2.463 14.736 1.00 0.00 H new ATOM 0 HD12 ILE A 95 1.005 1.567 13.199 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.384 2.593 13.661 1.00 0.00 H new ATOM 1471 N ASP A 96 1.835 6.164 9.372 1.00 0.00 N ATOM 1472 CA ASP A 96 2.462 6.476 8.093 1.00 0.00 C ATOM 1473 C ASP A 96 3.626 5.531 7.813 1.00 0.00 C ATOM 1474 O ASP A 96 4.480 5.309 8.672 1.00 0.00 O ATOM 1475 CB ASP A 96 2.951 7.925 8.081 1.00 0.00 C ATOM 1476 CG ASP A 96 1.811 8.922 8.151 1.00 0.00 C ATOM 1477 OD1 ASP A 96 0.693 8.577 7.714 1.00 0.00 O ATOM 1478 OD2 ASP A 96 2.036 10.047 8.644 1.00 0.00 O ATOM 0 H ASP A 96 2.169 6.727 10.154 1.00 0.00 H new ATOM 0 HA ASP A 96 1.716 6.346 7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.622 8.086 8.924 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.530 8.102 7.175 1.00 0.00 H new ATOM 1483 N TYR A 97 3.653 4.975 6.607 1.00 0.00 N ATOM 1484 CA TYR A 97 4.710 4.051 6.215 1.00 0.00 C ATOM 1485 C TYR A 97 5.708 4.728 5.280 1.00 0.00 C ATOM 1486 O TYR A 97 5.396 5.020 4.127 1.00 0.00 O ATOM 1487 CB TYR A 97 4.112 2.819 5.533 1.00 0.00 C ATOM 1488 CG TYR A 97 5.135 1.759 5.192 1.00 0.00 C ATOM 1489 CD1 TYR A 97 5.965 1.897 4.085 1.00 0.00 C ATOM 1490 CD2 TYR A 97 5.272 0.619 5.974 1.00 0.00 C ATOM 1491 CE1 TYR A 97 6.900 0.932 3.769 1.00 0.00 C ATOM 1492 CE2 TYR A 97 6.206 -0.351 5.666 1.00 0.00 C ATOM 1493 CZ TYR A 97 7.018 -0.190 4.563 1.00 0.00 C ATOM 1494 OH TYR A 97 7.948 -1.155 4.252 1.00 0.00 O ATOM 0 H TYR A 97 2.955 5.148 5.884 1.00 0.00 H new ATOM 0 HA TYR A 97 5.238 3.740 7.117 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.355 2.385 6.186 1.00 0.00 H new ATOM 0 HB3 TYR A 97 3.605 3.130 4.620 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.877 2.774 3.462 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.637 0.489 6.838 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.536 1.055 2.905 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.300 -1.231 6.286 1.00 0.00 H new ATOM 0 HH TYR A 97 7.634 -1.676 3.484 1.00 0.00 H new ATOM 1504 N ASN A 98 6.911 4.975 5.789 1.00 0.00 N ATOM 1505 CA ASN A 98 7.956 5.619 5.001 1.00 0.00 C ATOM 1506 C ASN A 98 9.256 4.822 5.068 1.00 0.00 C ATOM 1507 O ASN A 98 10.228 5.252 5.688 1.00 0.00 O ATOM 1508 CB ASN A 98 8.193 7.046 5.499 1.00 0.00 C ATOM 1509 CG ASN A 98 7.133 8.013 5.008 1.00 0.00 C ATOM 1510 OD1 ASN A 98 7.198 8.503 3.880 1.00 0.00 O ATOM 1511 ND2 ASN A 98 6.150 8.293 5.855 1.00 0.00 N ATOM 0 H ASN A 98 7.186 4.739 6.742 1.00 0.00 H new ATOM 0 HA ASN A 98 7.625 5.654 3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.208 7.050 6.589 1.00 0.00 H new ATOM 0 HB3 ASN A 98 9.174 7.386 5.166 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.408 8.937 5.581 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.136 7.864 6.780 1.00 0.00 H new ATOM 1518 N GLY A 99 9.264 3.659 4.424 1.00 0.00 N ATOM 1519 CA GLY A 99 10.449 2.821 4.423 1.00 0.00 C ATOM 1520 C GLY A 99 10.934 2.505 3.022 1.00 0.00 C ATOM 1521 O GLY A 99 10.718 3.283 2.094 1.00 0.00 O ATOM 0 H GLY A 99 8.472 3.282 3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.244 3.321 4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.233 1.891 4.948 1.00 0.00 H new ATOM 1525 N GLU A 100 11.592 1.360 2.869 1.00 0.00 N ATOM 1526 CA GLU A 100 12.110 0.945 1.571 1.00 0.00 C ATOM 1527 C GLU A 100 10.971 0.651 0.599 1.00 0.00 C ATOM 1528 O GLU A 100 11.159 0.667 -0.618 1.00 0.00 O ATOM 1529 CB GLU A 100 12.998 -0.292 1.723 1.00 0.00 C ATOM 1530 CG GLU A 100 12.338 -1.423 2.494 1.00 0.00 C ATOM 1531 CD GLU A 100 13.259 -2.613 2.686 1.00 0.00 C ATOM 1532 OE1 GLU A 100 13.666 -3.217 1.671 1.00 0.00 O ATOM 1533 OE2 GLU A 100 13.571 -2.940 3.849 1.00 0.00 O ATOM 0 H GLU A 100 11.779 0.704 3.627 1.00 0.00 H new ATOM 0 HA GLU A 100 12.706 1.764 1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.277 -0.653 0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.920 -0.007 2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.018 -1.055 3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.441 -1.744 1.964 1.00 0.00 H new ATOM 1540 N ARG A 101 9.790 0.382 1.145 1.00 0.00 N ATOM 1541 CA ARG A 101 8.621 0.082 0.327 1.00 0.00 C ATOM 1542 C ARG A 101 8.890 -1.106 -0.591 1.00 0.00 C ATOM 1543 O ARG A 101 8.683 -1.028 -1.803 1.00 0.00 O ATOM 1544 CB ARG A 101 8.226 1.304 -0.504 1.00 0.00 C ATOM 1545 CG ARG A 101 6.940 1.116 -1.292 1.00 0.00 C ATOM 1546 CD ARG A 101 6.378 2.447 -1.767 1.00 0.00 C ATOM 1547 NE ARG A 101 7.052 2.927 -2.970 1.00 0.00 N ATOM 1548 CZ ARG A 101 8.163 3.654 -2.950 1.00 0.00 C ATOM 1549 NH1 ARG A 101 8.723 3.983 -1.794 1.00 0.00 N ATOM 1550 NH2 ARG A 101 8.717 4.054 -4.087 1.00 0.00 N ATOM 0 H ARG A 101 9.617 0.366 2.150 1.00 0.00 H new ATOM 0 HA ARG A 101 7.799 -0.176 0.994 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.114 2.162 0.159 1.00 0.00 H new ATOM 0 HB3 ARG A 101 9.035 1.539 -1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 101 7.129 0.472 -2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 101 6.202 0.609 -0.670 1.00 0.00 H new ATOM 0 HD2 ARG A 101 5.312 2.340 -1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 101 6.481 3.188 -0.974 1.00 0.00 H new ATOM 0 HE ARG A 101 6.647 2.691 -3.876 1.00 0.00 H new ATOM 0 HH11 ARG A 101 8.300 3.678 -0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 101 9.576 4.542 -1.781 1.00 0.00 H new ATOM 0 HH21 ARG A 101 8.290 3.803 -4.979 1.00 0.00 H new ATOM 0 HH22 ARG A 101 9.570 4.612 -4.070 1.00 0.00 H new ATOM 1564 N THR A 102 9.353 -2.206 -0.007 1.00 0.00 N ATOM 1565 CA THR A 102 9.653 -3.410 -0.772 1.00 0.00 C ATOM 1566 C THR A 102 9.013 -4.639 -0.136 1.00 0.00 C ATOM 1567 O THR A 102 8.880 -4.721 1.086 1.00 0.00 O ATOM 1568 CB THR A 102 11.171 -3.638 -0.889 1.00 0.00 C ATOM 1569 OG1 THR A 102 11.718 -3.964 0.394 1.00 0.00 O ATOM 1570 CG2 THR A 102 11.863 -2.402 -1.442 1.00 0.00 C ATOM 0 H THR A 102 9.529 -2.288 0.994 1.00 0.00 H new ATOM 0 HA THR A 102 9.238 -3.262 -1.769 1.00 0.00 H new ATOM 0 HB THR A 102 11.340 -4.467 -1.576 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.529 -3.435 0.548 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.935 -2.587 -1.516 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.465 -2.174 -2.431 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.686 -1.557 -0.776 1.00 0.00 H new ATOM 1578 N LEU A 103 8.618 -5.594 -0.971 1.00 0.00 N ATOM 1579 CA LEU A 103 7.993 -6.821 -0.490 1.00 0.00 C ATOM 1580 C LEU A 103 8.632 -7.282 0.816 1.00 0.00 C ATOM 1581 O LEU A 103 7.937 -7.578 1.788 1.00 0.00 O ATOM 1582 CB LEU A 103 8.108 -7.923 -1.545 1.00 0.00 C ATOM 1583 CG LEU A 103 7.613 -9.307 -1.125 1.00 0.00 C ATOM 1584 CD1 LEU A 103 6.137 -9.259 -0.762 1.00 0.00 C ATOM 1585 CD2 LEU A 103 7.858 -10.320 -2.234 1.00 0.00 C ATOM 0 H LEU A 103 8.720 -5.542 -1.985 1.00 0.00 H new ATOM 0 HA LEU A 103 6.939 -6.614 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.550 -7.612 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.154 -8.007 -1.841 1.00 0.00 H new ATOM 0 HG LEU A 103 8.173 -9.620 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.803 -10.253 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.988 -8.565 0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.561 -8.925 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.500 -11.300 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.325 -10.011 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.926 -10.376 -2.447 1.00 0.00 H new ATOM 1597 N ASP A 104 9.959 -7.338 0.831 1.00 0.00 N ATOM 1598 CA ASP A 104 10.692 -7.760 2.019 1.00 0.00 C ATOM 1599 C ASP A 104 10.672 -6.670 3.086 1.00 0.00 C ATOM 1600 O ASP A 104 10.677 -6.958 4.282 1.00 0.00 O ATOM 1601 CB ASP A 104 12.137 -8.109 1.655 1.00 0.00 C ATOM 1602 CG ASP A 104 12.722 -9.171 2.565 1.00 0.00 C ATOM 1603 OD1 ASP A 104 12.489 -10.370 2.304 1.00 0.00 O ATOM 1604 OD2 ASP A 104 13.414 -8.803 3.537 1.00 0.00 O ATOM 0 H ASP A 104 10.549 -7.097 0.035 1.00 0.00 H new ATOM 0 HA ASP A 104 10.203 -8.646 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.175 -8.458 0.623 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.750 -7.209 1.710 1.00 0.00 H new ATOM 1609 N GLY A 105 10.650 -5.416 2.644 1.00 0.00 N ATOM 1610 CA GLY A 105 10.631 -4.302 3.573 1.00 0.00 C ATOM 1611 C GLY A 105 9.348 -4.240 4.378 1.00 0.00 C ATOM 1612 O GLY A 105 9.367 -3.923 5.567 1.00 0.00 O ATOM 0 H GLY A 105 10.645 -5.152 1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.479 -4.385 4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.755 -3.370 3.021 1.00 0.00 H new ATOM 1616 N PHE A 106 8.229 -4.542 3.728 1.00 0.00 N ATOM 1617 CA PHE A 106 6.930 -4.517 4.390 1.00 0.00 C ATOM 1618 C PHE A 106 6.902 -5.485 5.569 1.00 0.00 C ATOM 1619 O PHE A 106 6.464 -5.134 6.665 1.00 0.00 O ATOM 1620 CB PHE A 106 5.821 -4.872 3.397 1.00 0.00 C ATOM 1621 CG PHE A 106 5.661 -3.867 2.293 1.00 0.00 C ATOM 1622 CD1 PHE A 106 5.701 -2.508 2.563 1.00 0.00 C ATOM 1623 CD2 PHE A 106 5.471 -4.281 0.984 1.00 0.00 C ATOM 1624 CE1 PHE A 106 5.554 -1.582 1.548 1.00 0.00 C ATOM 1625 CE2 PHE A 106 5.323 -3.358 -0.035 1.00 0.00 C ATOM 1626 CZ PHE A 106 5.365 -2.007 0.248 1.00 0.00 C ATOM 0 H PHE A 106 8.196 -4.807 2.744 1.00 0.00 H new ATOM 0 HA PHE A 106 6.761 -3.508 4.767 1.00 0.00 H new ATOM 0 HB2 PHE A 106 6.034 -5.848 2.961 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.877 -4.962 3.935 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.849 -2.169 3.578 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.438 -5.336 0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.587 -0.526 1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.175 -3.693 -1.051 1.00 0.00 H new ATOM 0 HZ PHE A 106 5.250 -1.284 -0.546 1.00 0.00 H new ATOM 1636 N LYS A 107 7.371 -6.706 5.336 1.00 0.00 N ATOM 1637 CA LYS A 107 7.401 -7.726 6.377 1.00 0.00 C ATOM 1638 C LYS A 107 8.097 -7.204 7.630 1.00 0.00 C ATOM 1639 O LYS A 107 7.630 -7.421 8.748 1.00 0.00 O ATOM 1640 CB LYS A 107 8.115 -8.981 5.870 1.00 0.00 C ATOM 1641 CG LYS A 107 7.798 -9.318 4.423 1.00 0.00 C ATOM 1642 CD LYS A 107 7.869 -10.815 4.171 1.00 0.00 C ATOM 1643 CE LYS A 107 8.200 -11.120 2.718 1.00 0.00 C ATOM 1644 NZ LYS A 107 9.669 -11.223 2.494 1.00 0.00 N ATOM 0 H LYS A 107 7.736 -7.013 4.434 1.00 0.00 H new ATOM 0 HA LYS A 107 6.372 -7.979 6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.191 -8.844 5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.838 -9.826 6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.802 -8.953 4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.500 -8.804 3.766 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.625 -11.259 4.819 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.916 -11.275 4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.721 -12.054 2.425 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.789 -10.338 2.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.902 -10.863 1.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.170 -10.660 3.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.963 -12.218 2.568 1.00 0.00 H new ATOM 1658 N LYS A 108 9.216 -6.514 7.437 1.00 0.00 N ATOM 1659 CA LYS A 108 9.975 -5.959 8.550 1.00 0.00 C ATOM 1660 C LYS A 108 9.107 -5.028 9.390 1.00 0.00 C ATOM 1661 O LYS A 108 9.048 -5.153 10.614 1.00 0.00 O ATOM 1662 CB LYS A 108 11.200 -5.201 8.032 1.00 0.00 C ATOM 1663 CG LYS A 108 12.037 -5.999 7.048 1.00 0.00 C ATOM 1664 CD LYS A 108 13.495 -5.574 7.082 1.00 0.00 C ATOM 1665 CE LYS A 108 13.684 -4.184 6.494 1.00 0.00 C ATOM 1666 NZ LYS A 108 13.457 -3.117 7.508 1.00 0.00 N ATOM 0 H LYS A 108 9.617 -6.326 6.518 1.00 0.00 H new ATOM 0 HA LYS A 108 10.306 -6.786 9.179 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.871 -4.279 7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.824 -4.914 8.878 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.961 -7.061 7.282 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.642 -5.866 6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.855 -5.587 8.111 1.00 0.00 H new ATOM 0 HD3 LYS A 108 14.097 -6.291 6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.693 -4.094 6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.995 -4.045 5.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.192 -2.387 7.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.522 -2.688 7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.499 -3.530 8.462 1.00 0.00 H new ATOM 1680 N PHE A 109 8.432 -4.095 8.726 1.00 0.00 N ATOM 1681 CA PHE A 109 7.566 -3.144 9.412 1.00 0.00 C ATOM 1682 C PHE A 109 6.463 -3.867 10.179 1.00 0.00 C ATOM 1683 O PHE A 109 6.238 -3.604 11.361 1.00 0.00 O ATOM 1684 CB PHE A 109 6.948 -2.168 8.407 1.00 0.00 C ATOM 1685 CG PHE A 109 6.146 -1.073 9.051 1.00 0.00 C ATOM 1686 CD1 PHE A 109 6.761 0.087 9.490 1.00 0.00 C ATOM 1687 CD2 PHE A 109 4.776 -1.205 9.215 1.00 0.00 C ATOM 1688 CE1 PHE A 109 6.026 1.096 10.083 1.00 0.00 C ATOM 1689 CE2 PHE A 109 4.035 -0.199 9.807 1.00 0.00 C ATOM 1690 CZ PHE A 109 4.661 0.953 10.241 1.00 0.00 C ATOM 0 H PHE A 109 8.468 -3.978 7.713 1.00 0.00 H new ATOM 0 HA PHE A 109 8.174 -2.586 10.124 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.743 -1.722 7.810 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.307 -2.722 7.721 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.828 0.205 9.368 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.282 -2.104 8.877 1.00 0.00 H new ATOM 0 HE1 PHE A 109 6.518 1.995 10.423 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.968 -0.314 9.930 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.084 1.741 10.703 1.00 0.00 H new ATOM 1700 N LEU A 110 5.777 -4.779 9.499 1.00 0.00 N ATOM 1701 CA LEU A 110 4.697 -5.541 10.115 1.00 0.00 C ATOM 1702 C LEU A 110 5.221 -6.399 11.262 1.00 0.00 C ATOM 1703 O LEU A 110 4.856 -6.195 12.419 1.00 0.00 O ATOM 1704 CB LEU A 110 4.011 -6.426 9.072 1.00 0.00 C ATOM 1705 CG LEU A 110 3.388 -5.699 7.880 1.00 0.00 C ATOM 1706 CD1 LEU A 110 3.261 -6.638 6.690 1.00 0.00 C ATOM 1707 CD2 LEU A 110 2.031 -5.124 8.256 1.00 0.00 C ATOM 0 H LEU A 110 5.950 -5.009 8.520 1.00 0.00 H new ATOM 0 HA LEU A 110 3.971 -4.835 10.517 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.742 -7.141 8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.230 -7.001 9.570 1.00 0.00 H new ATOM 0 HG LEU A 110 4.043 -4.875 7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.816 -6.104 5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.249 -7.001 6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.627 -7.483 6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.602 -4.610 7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.367 -5.931 8.564 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.150 -4.418 9.078 1.00 0.00 H new ATOM 1719 N GLU A 111 6.081 -7.358 10.931 1.00 0.00 N ATOM 1720 CA GLU A 111 6.656 -8.246 11.934 1.00 0.00 C ATOM 1721 C GLU A 111 6.954 -7.488 13.225 1.00 0.00 C ATOM 1722 O GLU A 111 6.759 -8.009 14.323 1.00 0.00 O ATOM 1723 CB GLU A 111 7.937 -8.892 11.402 1.00 0.00 C ATOM 1724 CG GLU A 111 7.686 -9.977 10.367 1.00 0.00 C ATOM 1725 CD GLU A 111 8.755 -11.052 10.379 1.00 0.00 C ATOM 1726 OE1 GLU A 111 8.714 -11.921 11.275 1.00 0.00 O ATOM 1727 OE2 GLU A 111 9.634 -11.024 9.492 1.00 0.00 O ATOM 0 H GLU A 111 6.394 -7.539 9.977 1.00 0.00 H new ATOM 0 HA GLU A 111 5.927 -9.027 12.151 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.568 -8.120 10.961 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.493 -9.319 12.237 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.714 -10.434 10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.641 -9.525 9.376 1.00 0.00 H new ATOM 1734 N SER A 112 7.430 -6.255 13.083 1.00 0.00 N ATOM 1735 CA SER A 112 7.760 -5.426 14.237 1.00 0.00 C ATOM 1736 C SER A 112 6.497 -5.007 14.983 1.00 0.00 C ATOM 1737 O SER A 112 6.460 -5.010 16.213 1.00 0.00 O ATOM 1738 CB SER A 112 8.540 -4.187 13.794 1.00 0.00 C ATOM 1739 OG SER A 112 9.778 -4.547 13.205 1.00 0.00 O ATOM 0 H SER A 112 7.596 -5.808 12.181 1.00 0.00 H new ATOM 0 HA SER A 112 8.381 -6.015 14.912 1.00 0.00 H new ATOM 0 HB2 SER A 112 7.947 -3.616 13.080 1.00 0.00 H new ATOM 0 HB3 SER A 112 8.717 -3.539 14.652 1.00 0.00 H new ATOM 0 HG SER A 112 9.638 -4.772 12.262 1.00 0.00 H new ATOM 1745 N GLY A 113 5.464 -4.646 14.229 1.00 0.00 N ATOM 1746 CA GLY A 113 4.213 -4.228 14.835 1.00 0.00 C ATOM 1747 C GLY A 113 3.931 -2.754 14.625 1.00 0.00 C ATOM 1748 O GLY A 113 3.327 -2.102 15.476 1.00 0.00 O ATOM 0 H GLY A 113 5.471 -4.635 13.209 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.396 -4.814 14.415 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.242 -4.441 15.904 1.00 0.00 H new ATOM 1752 N GLY A 114 4.370 -2.225 13.487 1.00 0.00 N ATOM 1753 CA GLY A 114 4.154 -0.821 13.189 1.00 0.00 C ATOM 1754 C GLY A 114 4.854 0.096 14.173 1.00 0.00 C ATOM 1755 O GLY A 114 4.251 1.033 14.694 1.00 0.00 O ATOM 0 H GLY A 114 4.871 -2.744 12.766 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.511 -0.608 12.181 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.084 -0.611 13.199 1.00 0.00 H new