USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 798 hydrogens (2 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 Single : A 4 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 5 ASN : amide:sc= -3.54! C(o=-3.5!,f=-9.6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0189) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 162:sc= -0.0509 (180deg=-0.411) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 148:sc= -0.218 (180deg=-1.27!) USER MOD Single : A 17 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.93) USER MOD Single : A 18 LYS NZ :NH3+ -135:sc= 0.41 (180deg=-0.0121) USER MOD Single : A 19 SER OG : rot -98:sc= 0.559 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.975 USER MOD Single : A 30 SER OG : rot -22:sc= 0.405 USER MOD Single : A 37 ASN : amide:sc= -1.56 K(o=-1.6,f=-3.3!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 75:sc= 0.00207 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -170:sc= -1.24 USER MOD Single : A 56 THR OG1 : rot 64:sc= 0.706 USER MOD Single : A 61 HIS : no HD1:sc= -2.22! C(o=-2.2!,f=-4.9!) USER MOD Single : A 63 SER OG : rot -116:sc= -1.44 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0722 USER MOD Single : A 70 GLN : amide:sc= -0.583 K(o=-0.58,f=-3.1!) USER MOD Single : A 73 LYS NZ :NH3+ 163:sc= -0.0105 (180deg=-0.336) USER MOD Single : A 76 ASN : amide:sc= -2.3! C(o=-2.3!,f=-3.6!) USER MOD Single : A 83 ASN : amide:sc= -3.96! K(o=-4!,f=-0.69) USER MOD Single : A 87 ASN : amide:sc= -0.0577 K(o=-0.058,f=-2.1!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -1.61! C(o=-1.6!,f=-4.6!) USER MOD Single : A 95 LYS NZ :NH3+ 163:sc=-0.00842 (180deg=-0.159) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -7.464 -20.110 -12.065 1.00 0.00 N ATOM 2 CA ALA A 2 -6.592 -21.318 -12.043 1.00 0.00 C ATOM 3 C ALA A 2 -6.694 -22.037 -13.383 1.00 0.00 C ATOM 4 O ALA A 2 -5.701 -22.556 -13.895 1.00 0.00 O ATOM 5 CB ALA A 2 -7.040 -22.251 -10.917 1.00 0.00 C ATOM 0 HA ALA A 2 -5.557 -21.021 -11.870 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.402 -23.135 -10.901 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.964 -21.731 -9.962 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.074 -22.553 -11.084 1.00 0.00 H new ATOM 13 N LEU A 3 -7.899 -22.067 -13.947 1.00 0.00 N ATOM 14 CA LEU A 3 -8.116 -22.729 -15.232 1.00 0.00 C ATOM 15 C LEU A 3 -7.725 -21.803 -16.375 1.00 0.00 C ATOM 16 O LEU A 3 -8.172 -20.656 -16.440 1.00 0.00 O ATOM 17 CB LEU A 3 -9.591 -23.134 -15.376 1.00 0.00 C ATOM 18 CG LEU A 3 -9.837 -23.807 -16.740 1.00 0.00 C ATOM 19 CD1 LEU A 3 -8.940 -25.047 -16.898 1.00 0.00 C ATOM 20 CD2 LEU A 3 -11.311 -24.221 -16.832 1.00 0.00 C ATOM 0 H LEU A 3 -8.733 -21.645 -13.540 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.494 -23.623 -15.271 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.866 -23.817 -14.572 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.227 -22.254 -15.278 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.596 -23.103 -17.536 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.127 -25.510 -17.867 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.893 -24.750 -16.834 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.164 -25.761 -16.105 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.495 -24.699 -17.794 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.543 -24.921 -16.029 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.943 -23.338 -16.738 1.00 0.00 H new ATOM 32 N GLN A 4 -6.894 -22.308 -17.280 1.00 0.00 N ATOM 33 CA GLN A 4 -6.453 -21.521 -18.423 1.00 0.00 C ATOM 34 C GLN A 4 -6.091 -20.103 -17.991 1.00 0.00 C ATOM 35 O GLN A 4 -6.732 -19.137 -18.404 1.00 0.00 O ATOM 36 CB GLN A 4 -7.563 -21.468 -19.474 1.00 0.00 C ATOM 37 CG GLN A 4 -7.764 -22.858 -20.080 1.00 0.00 C ATOM 38 CD GLN A 4 -8.918 -22.828 -21.076 1.00 0.00 C ATOM 39 OE1 GLN A 4 -9.499 -21.773 -21.324 1.00 0.00 O ATOM 40 NE2 GLN A 4 -9.286 -23.932 -21.668 1.00 0.00 N ATOM 0 H GLN A 4 -6.514 -23.254 -17.244 1.00 0.00 H new ATOM 0 HA GLN A 4 -5.568 -21.994 -18.849 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.491 -21.121 -19.020 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.304 -20.754 -20.255 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -6.850 -23.183 -20.578 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.971 -23.581 -19.292 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.803 -24.807 -21.462 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.056 -23.920 -22.337 1.00 0.00 H new ATOM 49 N ASN A 5 -5.060 -19.988 -17.160 1.00 0.00 N ATOM 50 CA ASN A 5 -4.616 -18.684 -16.675 1.00 0.00 C ATOM 51 C ASN A 5 -3.576 -18.088 -17.620 1.00 0.00 C ATOM 52 O ASN A 5 -3.911 -17.645 -18.717 1.00 0.00 O ATOM 53 CB ASN A 5 -4.019 -18.830 -15.274 1.00 0.00 C ATOM 54 CG ASN A 5 -3.035 -19.996 -15.239 1.00 0.00 C ATOM 55 OD1 ASN A 5 -2.538 -20.422 -16.281 1.00 0.00 O ATOM 56 ND2 ASN A 5 -2.724 -20.538 -14.094 1.00 0.00 N ATOM 0 H ASN A 5 -4.518 -20.777 -16.809 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.475 -18.015 -16.635 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.512 -17.908 -14.989 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.814 -18.994 -14.547 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -2.067 -21.317 -14.060 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.138 -20.182 -13.232 1.00 0.00 H new ATOM 63 N LYS A 6 -2.315 -18.091 -17.184 1.00 0.00 N ATOM 64 CA LYS A 6 -1.225 -17.552 -17.996 1.00 0.00 C ATOM 65 C LYS A 6 -1.330 -16.033 -18.091 1.00 0.00 C ATOM 66 O LYS A 6 -0.332 -15.322 -17.982 1.00 0.00 O ATOM 67 CB LYS A 6 -1.265 -18.173 -19.404 1.00 0.00 C ATOM 68 CG LYS A 6 0.120 -18.078 -20.066 1.00 0.00 C ATOM 69 CD LYS A 6 0.114 -18.809 -21.419 1.00 0.00 C ATOM 70 CE LYS A 6 0.250 -20.324 -21.219 1.00 0.00 C ATOM 71 NZ LYS A 6 0.439 -20.978 -22.549 1.00 0.00 N ATOM 0 H LYS A 6 -2.025 -18.459 -16.278 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.277 -17.804 -17.520 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.575 -19.216 -19.341 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.005 -17.657 -20.016 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.391 -17.032 -20.211 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.874 -18.515 -19.412 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.811 -18.589 -21.952 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.933 -18.444 -22.038 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.097 -20.543 -20.569 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.639 -20.720 -20.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.532 -22.006 -22.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.383 -20.778 -23.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.300 -20.606 -22.999 1.00 0.00 H new ATOM 85 N GLU A 7 -2.547 -15.545 -18.291 1.00 0.00 N ATOM 86 CA GLU A 7 -2.778 -14.112 -18.397 1.00 0.00 C ATOM 87 C GLU A 7 -2.530 -13.430 -17.055 1.00 0.00 C ATOM 88 O GLU A 7 -2.057 -12.295 -17.003 1.00 0.00 O ATOM 89 CB GLU A 7 -4.216 -13.851 -18.851 1.00 0.00 C ATOM 90 CG GLU A 7 -4.390 -14.334 -20.293 1.00 0.00 C ATOM 91 CD GLU A 7 -5.844 -14.168 -20.724 1.00 0.00 C ATOM 92 OE1 GLU A 7 -6.636 -13.726 -19.911 1.00 0.00 O ATOM 93 OE2 GLU A 7 -6.143 -14.489 -21.863 1.00 0.00 O ATOM 0 H GLU A 7 -3.386 -16.118 -18.383 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.085 -13.701 -19.131 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.916 -14.369 -18.195 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.443 -12.787 -18.782 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.738 -13.767 -20.957 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.095 -15.380 -20.373 1.00 0.00 H new ATOM 100 N GLU A 8 -2.857 -14.129 -15.975 1.00 0.00 N ATOM 101 CA GLU A 8 -2.674 -13.586 -14.635 1.00 0.00 C ATOM 102 C GLU A 8 -1.207 -13.234 -14.398 1.00 0.00 C ATOM 103 O GLU A 8 -0.882 -12.444 -13.511 1.00 0.00 O ATOM 104 CB GLU A 8 -3.125 -14.608 -13.591 1.00 0.00 C ATOM 105 CG GLU A 8 -4.634 -14.826 -13.711 1.00 0.00 C ATOM 106 CD GLU A 8 -5.085 -15.897 -12.723 1.00 0.00 C ATOM 107 OE1 GLU A 8 -4.250 -16.370 -11.969 1.00 0.00 O ATOM 108 OE2 GLU A 8 -6.260 -16.229 -12.734 1.00 0.00 O ATOM 0 H GLU A 8 -3.249 -15.070 -16.001 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.276 -12.682 -14.544 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.598 -15.551 -13.738 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.876 -14.256 -12.590 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.162 -13.893 -13.515 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.887 -15.127 -14.728 1.00 0.00 H new ATOM 115 N GLU A 9 -0.328 -13.827 -15.198 1.00 0.00 N ATOM 116 CA GLU A 9 1.103 -13.575 -15.071 1.00 0.00 C ATOM 117 C GLU A 9 1.393 -12.080 -15.171 1.00 0.00 C ATOM 118 O GLU A 9 2.488 -11.626 -14.839 1.00 0.00 O ATOM 119 CB GLU A 9 1.868 -14.321 -16.170 1.00 0.00 C ATOM 120 CG GLU A 9 1.724 -15.834 -15.971 1.00 0.00 C ATOM 121 CD GLU A 9 2.398 -16.266 -14.671 1.00 0.00 C ATOM 122 OE1 GLU A 9 3.547 -15.906 -14.475 1.00 0.00 O ATOM 123 OE2 GLU A 9 1.753 -16.944 -13.890 1.00 0.00 O ATOM 0 H GLU A 9 -0.579 -14.483 -15.938 1.00 0.00 H new ATOM 0 HA GLU A 9 1.431 -13.934 -14.095 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.484 -14.036 -17.150 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.921 -14.041 -16.146 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.669 -16.106 -15.949 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.171 -16.362 -16.813 1.00 0.00 H new ATOM 130 N LYS A 10 0.405 -11.323 -15.634 1.00 0.00 N ATOM 131 CA LYS A 10 0.563 -9.879 -15.775 1.00 0.00 C ATOM 132 C LYS A 10 0.821 -9.233 -14.419 1.00 0.00 C ATOM 133 O LYS A 10 1.498 -8.209 -14.328 1.00 0.00 O ATOM 134 CB LYS A 10 -0.699 -9.274 -16.396 1.00 0.00 C ATOM 135 CG LYS A 10 -1.903 -9.562 -15.494 1.00 0.00 C ATOM 136 CD LYS A 10 -3.174 -9.023 -16.153 1.00 0.00 C ATOM 137 CE LYS A 10 -4.386 -9.345 -15.275 1.00 0.00 C ATOM 138 NZ LYS A 10 -4.425 -8.404 -14.120 1.00 0.00 N ATOM 0 H LYS A 10 -0.508 -11.681 -15.916 1.00 0.00 H new ATOM 0 HA LYS A 10 1.417 -9.688 -16.425 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.575 -8.198 -16.522 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.866 -9.694 -17.388 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.995 -10.635 -15.324 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.760 -9.096 -14.519 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.092 -7.946 -16.296 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.300 -9.467 -17.140 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.303 -9.261 -15.858 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.328 -10.373 -14.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.301 -8.554 -13.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.604 -8.575 -13.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.397 -7.425 -14.469 1.00 0.00 H new ATOM 152 N LYS A 11 0.279 -9.839 -13.368 1.00 0.00 N ATOM 153 CA LYS A 11 0.458 -9.312 -12.020 1.00 0.00 C ATOM 154 C LYS A 11 1.937 -9.272 -11.657 1.00 0.00 C ATOM 155 O LYS A 11 2.414 -8.302 -11.066 1.00 0.00 O ATOM 156 CB LYS A 11 -0.293 -10.189 -11.009 1.00 0.00 C ATOM 157 CG LYS A 11 -0.474 -9.425 -9.693 1.00 0.00 C ATOM 158 CD LYS A 11 -1.348 -10.244 -8.734 1.00 0.00 C ATOM 159 CE LYS A 11 -0.571 -11.454 -8.199 1.00 0.00 C ATOM 160 NZ LYS A 11 -1.271 -11.993 -6.996 1.00 0.00 N ATOM 0 H LYS A 11 -0.283 -10.688 -13.422 1.00 0.00 H new ATOM 0 HA LYS A 11 0.057 -8.299 -11.990 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.265 -10.473 -11.412 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.261 -11.111 -10.832 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.497 -9.230 -9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.936 -8.457 -9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.673 -9.617 -7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.247 -10.581 -9.250 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.498 -12.223 -8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.447 -11.163 -7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.748 -12.814 -6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.318 -11.257 -6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.235 -12.285 -7.257 1.00 0.00 H new ATOM 174 N LYS A 12 2.658 -10.331 -12.008 1.00 0.00 N ATOM 175 CA LYS A 12 4.080 -10.403 -11.709 1.00 0.00 C ATOM 176 C LYS A 12 4.843 -9.361 -12.518 1.00 0.00 C ATOM 177 O LYS A 12 4.632 -9.222 -13.723 1.00 0.00 O ATOM 178 CB LYS A 12 4.618 -11.800 -12.041 1.00 0.00 C ATOM 179 CG LYS A 12 6.028 -11.981 -11.447 1.00 0.00 C ATOM 180 CD LYS A 12 5.934 -12.454 -9.988 1.00 0.00 C ATOM 181 CE LYS A 12 7.343 -12.714 -9.449 1.00 0.00 C ATOM 182 NZ LYS A 12 8.100 -11.431 -9.414 1.00 0.00 N ATOM 0 H LYS A 12 2.283 -11.145 -12.496 1.00 0.00 H new ATOM 0 HA LYS A 12 4.220 -10.205 -10.646 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.947 -12.561 -11.642 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.650 -11.938 -13.122 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.588 -12.707 -12.037 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.575 -11.039 -11.497 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.433 -11.700 -9.381 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.335 -13.363 -9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.289 -13.145 -8.449 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.859 -13.437 -10.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.921 -11.530 -8.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.426 -11.194 -10.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.482 -10.673 -9.061 1.00 0.00 H new ATOM 196 N VAL A 13 5.736 -8.631 -11.850 1.00 0.00 N ATOM 197 CA VAL A 13 6.534 -7.602 -12.520 1.00 0.00 C ATOM 198 C VAL A 13 7.970 -7.629 -12.001 1.00 0.00 C ATOM 199 O VAL A 13 8.203 -7.719 -10.795 1.00 0.00 O ATOM 200 CB VAL A 13 5.920 -6.223 -12.266 1.00 0.00 C ATOM 201 CG1 VAL A 13 5.758 -6.000 -10.761 1.00 0.00 C ATOM 202 CG2 VAL A 13 6.833 -5.140 -12.851 1.00 0.00 C ATOM 0 H VAL A 13 5.925 -8.731 -10.853 1.00 0.00 H new ATOM 0 HA VAL A 13 6.540 -7.803 -13.591 1.00 0.00 H new ATOM 0 HB VAL A 13 4.942 -6.170 -12.745 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.321 -5.017 -10.584 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.104 -6.768 -10.348 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.734 -6.055 -10.278 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.395 -4.158 -12.670 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.812 -5.194 -12.376 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.942 -5.296 -13.924 1.00 0.00 H new ATOM 212 N LYS A 14 8.928 -7.544 -12.921 1.00 0.00 N ATOM 213 CA LYS A 14 10.340 -7.556 -12.551 1.00 0.00 C ATOM 214 C LYS A 14 10.705 -6.304 -11.763 1.00 0.00 C ATOM 215 O LYS A 14 11.398 -6.376 -10.747 1.00 0.00 O ATOM 216 CB LYS A 14 11.200 -7.627 -13.810 1.00 0.00 C ATOM 217 CG LYS A 14 10.989 -8.981 -14.486 1.00 0.00 C ATOM 218 CD LYS A 14 11.777 -9.035 -15.802 1.00 0.00 C ATOM 219 CE LYS A 14 13.269 -9.254 -15.525 1.00 0.00 C ATOM 220 NZ LYS A 14 13.955 -9.620 -16.798 1.00 0.00 N ATOM 0 H LYS A 14 8.753 -7.466 -13.923 1.00 0.00 H new ATOM 0 HA LYS A 14 10.523 -8.430 -11.925 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.933 -6.820 -14.493 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.251 -7.494 -13.555 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.315 -9.783 -13.824 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.928 -9.139 -14.680 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.395 -9.841 -16.429 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.636 -8.107 -16.356 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.710 -8.349 -15.107 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.402 -10.044 -14.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.968 -9.770 -16.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.539 -10.494 -17.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.837 -8.852 -17.489 1.00 0.00 H new ATOM 234 N LYS A 15 10.233 -5.157 -12.242 1.00 0.00 N ATOM 235 CA LYS A 15 10.512 -3.886 -11.584 1.00 0.00 C ATOM 236 C LYS A 15 9.561 -3.672 -10.416 1.00 0.00 C ATOM 237 O LYS A 15 8.655 -4.478 -10.189 1.00 0.00 O ATOM 238 CB LYS A 15 10.372 -2.730 -12.584 1.00 0.00 C ATOM 239 CG LYS A 15 9.009 -2.815 -13.283 1.00 0.00 C ATOM 240 CD LYS A 15 8.807 -1.601 -14.207 1.00 0.00 C ATOM 241 CE LYS A 15 9.455 -1.865 -15.570 1.00 0.00 C ATOM 242 NZ LYS A 15 8.802 -3.044 -16.204 1.00 0.00 N ATOM 0 H LYS A 15 9.657 -5.082 -13.081 1.00 0.00 H new ATOM 0 HA LYS A 15 11.534 -3.911 -11.207 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.468 -1.775 -12.067 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.173 -2.775 -13.321 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.946 -3.736 -13.862 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.213 -2.851 -12.539 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.743 -1.403 -14.334 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.245 -0.712 -13.753 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.352 -0.989 -16.211 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.523 -2.047 -15.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.802 -2.927 -17.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.325 -3.907 -15.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.822 -3.122 -15.865 1.00 0.00 H new ATOM 256 N LEU A 16 9.773 -2.587 -9.679 1.00 0.00 N ATOM 257 CA LEU A 16 8.934 -2.271 -8.528 1.00 0.00 C ATOM 258 C LEU A 16 8.973 -3.416 -7.519 1.00 0.00 C ATOM 259 O LEU A 16 9.015 -4.589 -7.894 1.00 0.00 O ATOM 260 CB LEU A 16 7.481 -2.014 -8.978 1.00 0.00 C ATOM 261 CG LEU A 16 7.298 -0.548 -9.404 1.00 0.00 C ATOM 262 CD1 LEU A 16 7.420 0.399 -8.187 1.00 0.00 C ATOM 263 CD2 LEU A 16 8.348 -0.192 -10.465 1.00 0.00 C ATOM 0 H LEU A 16 10.517 -1.913 -9.857 1.00 0.00 H new ATOM 0 HA LEU A 16 9.319 -1.368 -8.054 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.230 -2.674 -9.808 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.795 -2.250 -8.164 1.00 0.00 H new ATOM 0 HG LEU A 16 6.300 -0.424 -9.825 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.287 1.430 -8.514 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.654 0.149 -7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.406 0.286 -7.735 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.220 0.847 -10.769 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.346 -0.329 -10.049 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.224 -0.841 -11.332 1.00 0.00 H new ATOM 275 N GLN A 17 8.962 -3.069 -6.234 1.00 0.00 N ATOM 276 CA GLN A 17 9.001 -4.074 -5.170 1.00 0.00 C ATOM 277 C GLN A 17 7.744 -3.995 -4.318 1.00 0.00 C ATOM 278 O GLN A 17 7.516 -3.011 -3.613 1.00 0.00 O ATOM 279 CB GLN A 17 10.227 -3.836 -4.283 1.00 0.00 C ATOM 280 CG GLN A 17 10.417 -5.021 -3.334 1.00 0.00 C ATOM 281 CD GLN A 17 10.805 -6.266 -4.124 1.00 0.00 C ATOM 282 OE1 GLN A 17 11.599 -6.185 -5.061 1.00 0.00 O ATOM 283 NE2 GLN A 17 10.285 -7.420 -3.806 1.00 0.00 N ATOM 0 H GLN A 17 8.927 -2.105 -5.903 1.00 0.00 H new ATOM 0 HA GLN A 17 9.060 -5.062 -5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.115 -3.707 -4.901 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.101 -2.917 -3.711 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.190 -4.790 -2.601 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.497 -5.204 -2.780 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.627 -7.486 -3.029 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.537 -8.256 -4.334 1.00 0.00 H new ATOM 292 N LYS A 18 6.937 -5.043 -4.383 1.00 0.00 N ATOM 293 CA LYS A 18 5.707 -5.101 -3.609 1.00 0.00 C ATOM 294 C LYS A 18 6.024 -5.470 -2.164 1.00 0.00 C ATOM 295 O LYS A 18 6.887 -6.310 -1.904 1.00 0.00 O ATOM 296 CB LYS A 18 4.768 -6.146 -4.209 1.00 0.00 C ATOM 297 CG LYS A 18 4.340 -5.700 -5.606 1.00 0.00 C ATOM 298 CD LYS A 18 3.404 -6.745 -6.214 1.00 0.00 C ATOM 299 CE LYS A 18 2.973 -6.290 -7.609 1.00 0.00 C ATOM 300 NZ LYS A 18 2.072 -7.314 -8.209 1.00 0.00 N ATOM 0 H LYS A 18 7.112 -5.864 -4.963 1.00 0.00 H new ATOM 0 HA LYS A 18 5.223 -4.125 -3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.268 -7.113 -4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.893 -6.273 -3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.837 -4.734 -5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.216 -5.568 -6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.908 -7.710 -6.274 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.530 -6.881 -5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.460 -5.330 -7.548 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.848 -6.144 -8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.352 -7.488 -9.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.144 -8.199 -7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.091 -6.971 -8.183 1.00 0.00 H new ATOM 314 N SER A 19 5.323 -4.840 -1.229 1.00 0.00 N ATOM 315 CA SER A 19 5.533 -5.106 0.195 1.00 0.00 C ATOM 316 C SER A 19 4.199 -5.126 0.929 1.00 0.00 C ATOM 317 O SER A 19 3.282 -4.373 0.594 1.00 0.00 O ATOM 318 CB SER A 19 6.438 -4.030 0.801 1.00 0.00 C ATOM 319 OG SER A 19 6.202 -3.953 2.203 1.00 0.00 O ATOM 0 H SER A 19 4.605 -4.143 -1.427 1.00 0.00 H new ATOM 0 HA SER A 19 6.012 -6.080 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.484 -4.268 0.609 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.239 -3.066 0.333 1.00 0.00 H new ATOM 0 HG SER A 19 5.589 -3.212 2.391 1.00 0.00 H new ATOM 325 N TYR A 20 4.093 -5.995 1.934 1.00 0.00 N ATOM 326 CA TYR A 20 2.865 -6.114 2.721 1.00 0.00 C ATOM 327 C TYR A 20 3.016 -5.381 4.047 1.00 0.00 C ATOM 328 O TYR A 20 3.965 -5.616 4.795 1.00 0.00 O ATOM 329 CB TYR A 20 2.563 -7.588 2.991 1.00 0.00 C ATOM 330 CG TYR A 20 2.162 -8.265 1.702 1.00 0.00 C ATOM 331 CD1 TYR A 20 0.847 -8.156 1.236 1.00 0.00 C ATOM 332 CD2 TYR A 20 3.105 -8.999 0.973 1.00 0.00 C ATOM 333 CE1 TYR A 20 0.474 -8.783 0.042 1.00 0.00 C ATOM 334 CE2 TYR A 20 2.731 -9.626 -0.222 1.00 0.00 C ATOM 335 CZ TYR A 20 1.416 -9.517 -0.688 1.00 0.00 C ATOM 336 OH TYR A 20 1.047 -10.133 -1.867 1.00 0.00 O ATOM 0 H TYR A 20 4.841 -6.626 2.222 1.00 0.00 H new ATOM 0 HA TYR A 20 2.045 -5.670 2.157 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.440 -8.078 3.414 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.763 -7.677 3.725 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.120 -7.588 1.798 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.120 -9.082 1.332 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.541 -8.701 -0.317 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.458 -10.194 -0.784 1.00 0.00 H new ATOM 0 HH TYR A 20 1.820 -10.600 -2.248 1.00 0.00 H new ATOM 346 N PHE A 21 2.072 -4.489 4.334 1.00 0.00 N ATOM 347 CA PHE A 21 2.092 -3.713 5.575 1.00 0.00 C ATOM 348 C PHE A 21 0.853 -4.036 6.403 1.00 0.00 C ATOM 349 O PHE A 21 -0.274 -3.869 5.936 1.00 0.00 O ATOM 350 CB PHE A 21 2.112 -2.221 5.239 1.00 0.00 C ATOM 351 CG PHE A 21 3.281 -1.929 4.328 1.00 0.00 C ATOM 352 CD1 PHE A 21 3.192 -2.252 2.971 1.00 0.00 C ATOM 353 CD2 PHE A 21 4.447 -1.336 4.831 1.00 0.00 C ATOM 354 CE1 PHE A 21 4.264 -1.986 2.114 1.00 0.00 C ATOM 355 CE2 PHE A 21 5.522 -1.069 3.971 1.00 0.00 C ATOM 356 CZ PHE A 21 5.430 -1.396 2.613 1.00 0.00 C ATOM 0 H PHE A 21 1.281 -4.284 3.724 1.00 0.00 H new ATOM 0 HA PHE A 21 2.982 -3.969 6.149 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.179 -1.933 4.755 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.192 -1.632 6.153 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.293 -2.708 2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.517 -1.085 5.879 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.192 -2.236 1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.421 -0.611 4.356 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.259 -1.193 1.951 1.00 0.00 H new ATOM 366 N ASP A 22 1.060 -4.503 7.631 1.00 0.00 N ATOM 367 CA ASP A 22 -0.054 -4.844 8.511 1.00 0.00 C ATOM 368 C ASP A 22 -0.453 -3.636 9.355 1.00 0.00 C ATOM 369 O ASP A 22 0.297 -3.213 10.230 1.00 0.00 O ATOM 370 CB ASP A 22 0.352 -5.994 9.434 1.00 0.00 C ATOM 371 CG ASP A 22 -0.882 -6.584 10.107 1.00 0.00 C ATOM 372 OD1 ASP A 22 -1.963 -6.069 9.873 1.00 0.00 O ATOM 373 OD2 ASP A 22 -0.730 -7.545 10.842 1.00 0.00 O ATOM 0 H ASP A 22 1.983 -4.653 8.038 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.903 -5.146 7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.868 -6.765 8.862 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.052 -5.635 10.189 1.00 0.00 H new ATOM 378 N VAL A 23 -1.637 -3.083 9.086 1.00 0.00 N ATOM 379 CA VAL A 23 -2.121 -1.918 9.832 1.00 0.00 C ATOM 380 C VAL A 23 -3.111 -2.348 10.907 1.00 0.00 C ATOM 381 O VAL A 23 -4.319 -2.395 10.671 1.00 0.00 O ATOM 382 CB VAL A 23 -2.807 -0.946 8.873 1.00 0.00 C ATOM 383 CG1 VAL A 23 -3.015 0.400 9.570 1.00 0.00 C ATOM 384 CG2 VAL A 23 -1.932 -0.750 7.633 1.00 0.00 C ATOM 0 H VAL A 23 -2.274 -3.419 8.364 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.271 -1.430 10.309 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.774 -1.352 8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.504 1.093 8.885 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.639 0.260 10.452 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.050 0.808 9.870 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.421 -0.057 6.949 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.965 -0.345 7.931 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.786 -1.709 7.135 1.00 0.00 H new ATOM 394 N LEU A 24 -2.592 -2.659 12.088 1.00 0.00 N ATOM 395 CA LEU A 24 -3.435 -3.082 13.201 1.00 0.00 C ATOM 396 C LEU A 24 -4.345 -1.939 13.649 1.00 0.00 C ATOM 397 O LEU A 24 -5.518 -2.151 13.955 1.00 0.00 O ATOM 398 CB LEU A 24 -2.552 -3.547 14.370 1.00 0.00 C ATOM 399 CG LEU A 24 -2.055 -4.981 14.123 1.00 0.00 C ATOM 400 CD1 LEU A 24 -3.220 -5.989 14.201 1.00 0.00 C ATOM 401 CD2 LEU A 24 -1.392 -5.045 12.740 1.00 0.00 C ATOM 0 H LEU A 24 -1.595 -2.627 12.300 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.063 -3.911 12.873 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.702 -2.874 14.483 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.117 -3.506 15.301 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.332 -5.246 14.894 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.842 -6.996 14.023 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.676 -5.942 15.190 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.966 -5.742 13.445 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.035 -6.058 12.554 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.118 -4.770 11.975 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.551 -4.353 12.707 1.00 0.00 H new ATOM 413 N GLY A 25 -3.794 -0.729 13.692 1.00 0.00 N ATOM 414 CA GLY A 25 -4.566 0.436 14.111 1.00 0.00 C ATOM 415 C GLY A 25 -5.586 0.829 13.047 1.00 0.00 C ATOM 416 O GLY A 25 -5.892 2.009 12.875 1.00 0.00 O ATOM 0 H GLY A 25 -2.825 -0.531 13.444 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.078 0.219 15.048 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.894 1.273 14.302 1.00 0.00 H new ATOM 420 N ILE A 26 -6.114 -0.169 12.342 1.00 0.00 N ATOM 421 CA ILE A 26 -7.108 0.080 11.300 1.00 0.00 C ATOM 422 C ILE A 26 -8.514 0.051 11.894 1.00 0.00 C ATOM 423 O ILE A 26 -8.888 -0.895 12.587 1.00 0.00 O ATOM 424 CB ILE A 26 -6.998 -0.983 10.203 1.00 0.00 C ATOM 425 CG1 ILE A 26 -8.020 -0.675 9.105 1.00 0.00 C ATOM 426 CG2 ILE A 26 -7.274 -2.369 10.794 1.00 0.00 C ATOM 427 CD1 ILE A 26 -7.776 -1.584 7.901 1.00 0.00 C ATOM 0 H ILE A 26 -5.872 -1.151 12.472 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.920 1.064 10.870 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.993 -0.973 9.782 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.031 -0.823 9.485 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.942 0.370 8.805 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.194 -3.121 10.009 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.546 -2.582 11.577 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.278 -2.391 11.217 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.506 -1.361 7.123 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.771 -1.415 7.515 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.877 -2.626 8.205 1.00 0.00 H new ATOM 439 N CYS A 27 -9.291 1.098 11.618 1.00 0.00 N ATOM 440 CA CYS A 27 -10.664 1.195 12.126 1.00 0.00 C ATOM 441 C CYS A 27 -11.645 1.287 10.968 1.00 0.00 C ATOM 442 O CYS A 27 -11.486 2.122 10.081 1.00 0.00 O ATOM 443 CB CYS A 27 -10.807 2.440 13.008 1.00 0.00 C ATOM 444 SG CYS A 27 -12.565 2.773 13.309 1.00 0.00 S ATOM 0 H CYS A 27 -8.996 1.890 11.047 1.00 0.00 H new ATOM 0 HA CYS A 27 -10.882 0.304 12.714 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -10.288 2.289 13.954 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -10.342 3.298 12.522 1.00 0.00 H new ATOM 449 N CYS A 28 -12.666 0.435 10.992 1.00 0.00 N ATOM 450 CA CYS A 28 -13.680 0.439 9.942 1.00 0.00 C ATOM 451 C CYS A 28 -13.041 0.630 8.565 1.00 0.00 C ATOM 452 O CYS A 28 -11.825 0.533 8.414 1.00 0.00 O ATOM 453 CB CYS A 28 -14.687 1.562 10.213 1.00 0.00 C ATOM 454 SG CYS A 28 -13.937 3.163 9.813 1.00 0.00 S ATOM 0 H CYS A 28 -12.813 -0.262 11.722 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.192 -0.523 9.946 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -15.585 1.410 9.615 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -14.994 1.544 11.259 1.00 0.00 H new ATOM 459 N THR A 29 -13.873 0.896 7.560 1.00 0.00 N ATOM 460 CA THR A 29 -13.391 1.104 6.194 1.00 0.00 C ATOM 461 C THR A 29 -13.428 2.587 5.838 1.00 0.00 C ATOM 462 O THR A 29 -12.862 3.008 4.830 1.00 0.00 O ATOM 463 CB THR A 29 -14.265 0.321 5.211 1.00 0.00 C ATOM 464 OG1 THR A 29 -14.233 -1.057 5.548 1.00 0.00 O ATOM 465 CG2 THR A 29 -13.741 0.523 3.786 1.00 0.00 C ATOM 0 H THR A 29 -14.885 0.973 7.665 1.00 0.00 H new ATOM 0 HA THR A 29 -12.362 0.750 6.130 1.00 0.00 H new ATOM 0 HB THR A 29 -15.292 0.681 5.267 1.00 0.00 H new ATOM 0 HG1 THR A 29 -14.793 -1.560 4.921 1.00 0.00 H new ATOM 0 HG21 THR A 29 -14.364 -0.035 3.087 1.00 0.00 H new ATOM 0 HG22 THR A 29 -13.772 1.583 3.534 1.00 0.00 H new ATOM 0 HG23 THR A 29 -12.714 0.165 3.722 1.00 0.00 H new ATOM 473 N SER A 30 -14.103 3.371 6.673 1.00 0.00 N ATOM 474 CA SER A 30 -14.215 4.807 6.442 1.00 0.00 C ATOM 475 C SER A 30 -12.858 5.487 6.596 1.00 0.00 C ATOM 476 O SER A 30 -12.706 6.655 6.250 1.00 0.00 O ATOM 477 CB SER A 30 -15.212 5.432 7.420 1.00 0.00 C ATOM 478 OG SER A 30 -15.365 6.811 7.112 1.00 0.00 O ATOM 0 H SER A 30 -14.579 3.038 7.512 1.00 0.00 H new ATOM 0 HA SER A 30 -14.572 4.955 5.423 1.00 0.00 H new ATOM 0 HB2 SER A 30 -16.174 4.923 7.353 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.859 5.313 8.444 1.00 0.00 H new ATOM 0 HG SER A 30 -14.583 7.123 6.610 1.00 0.00 H new ATOM 484 N GLU A 31 -11.884 4.753 7.137 1.00 0.00 N ATOM 485 CA GLU A 31 -10.536 5.293 7.343 1.00 0.00 C ATOM 486 C GLU A 31 -9.667 5.032 6.109 1.00 0.00 C ATOM 487 O GLU A 31 -8.458 5.265 6.134 1.00 0.00 O ATOM 488 CB GLU A 31 -9.897 4.654 8.602 1.00 0.00 C ATOM 489 CG GLU A 31 -10.118 5.544 9.837 1.00 0.00 C ATOM 490 CD GLU A 31 -11.606 5.633 10.171 1.00 0.00 C ATOM 491 OE1 GLU A 31 -12.395 5.755 9.252 1.00 0.00 O ATOM 492 OE2 GLU A 31 -11.933 5.583 11.346 1.00 0.00 O ATOM 0 H GLU A 31 -12.001 3.786 7.440 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.605 6.370 7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.330 3.669 8.775 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.829 4.508 8.439 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.572 5.138 10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.721 6.542 9.650 1.00 0.00 H new ATOM 499 N VAL A 32 -10.280 4.539 5.035 1.00 0.00 N ATOM 500 CA VAL A 32 -9.530 4.259 3.816 1.00 0.00 C ATOM 501 C VAL A 32 -8.896 5.550 3.272 1.00 0.00 C ATOM 502 O VAL A 32 -7.748 5.533 2.826 1.00 0.00 O ATOM 503 CB VAL A 32 -10.449 3.596 2.747 1.00 0.00 C ATOM 504 CG1 VAL A 32 -9.892 3.822 1.333 1.00 0.00 C ATOM 505 CG2 VAL A 32 -10.551 2.089 3.006 1.00 0.00 C ATOM 0 H VAL A 32 -11.277 4.329 4.984 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.729 3.558 4.052 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.436 4.053 2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.550 3.350 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.834 4.892 1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.896 3.385 1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.195 1.633 2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.558 1.642 2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.972 1.918 3.997 1.00 0.00 H new ATOM 515 N PRO A 33 -9.609 6.661 3.288 1.00 0.00 N ATOM 516 CA PRO A 33 -9.088 7.960 2.762 1.00 0.00 C ATOM 517 C PRO A 33 -7.827 8.410 3.495 1.00 0.00 C ATOM 518 O PRO A 33 -6.902 8.952 2.891 1.00 0.00 O ATOM 519 CB PRO A 33 -10.251 8.950 2.988 1.00 0.00 C ATOM 520 CG PRO A 33 -11.460 8.088 3.135 1.00 0.00 C ATOM 521 CD PRO A 33 -10.966 6.824 3.827 1.00 0.00 C ATOM 0 HA PRO A 33 -8.793 7.888 1.715 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.087 9.557 3.878 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.355 9.637 2.148 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.229 8.586 3.726 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.901 7.859 2.165 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.959 6.934 4.911 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.597 5.965 3.598 1.00 0.00 H new ATOM 529 N ILE A 34 -7.808 8.188 4.808 1.00 0.00 N ATOM 530 CA ILE A 34 -6.669 8.580 5.628 1.00 0.00 C ATOM 531 C ILE A 34 -5.430 7.778 5.235 1.00 0.00 C ATOM 532 O ILE A 34 -4.347 8.331 5.104 1.00 0.00 O ATOM 533 CB ILE A 34 -6.989 8.354 7.121 1.00 0.00 C ATOM 534 CG1 ILE A 34 -7.900 9.480 7.626 1.00 0.00 C ATOM 535 CG2 ILE A 34 -5.695 8.358 7.950 1.00 0.00 C ATOM 536 CD1 ILE A 34 -9.168 9.547 6.775 1.00 0.00 C ATOM 0 H ILE A 34 -8.566 7.740 5.323 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.469 9.639 5.462 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.486 7.390 7.229 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.161 9.307 8.670 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.372 10.433 7.583 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.936 8.198 9.001 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.038 7.561 7.602 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.192 9.318 7.835 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.809 10.349 7.140 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.899 9.741 5.737 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.701 8.598 6.840 1.00 0.00 H new ATOM 548 N ILE A 35 -5.596 6.476 5.061 1.00 0.00 N ATOM 549 CA ILE A 35 -4.471 5.622 4.702 1.00 0.00 C ATOM 550 C ILE A 35 -3.902 6.032 3.350 1.00 0.00 C ATOM 551 O ILE A 35 -2.687 6.115 3.176 1.00 0.00 O ATOM 552 CB ILE A 35 -4.937 4.165 4.646 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.336 3.708 6.051 1.00 0.00 C ATOM 554 CG2 ILE A 35 -3.794 3.283 4.137 1.00 0.00 C ATOM 555 CD1 ILE A 35 -6.109 2.393 5.954 1.00 0.00 C ATOM 0 H ILE A 35 -6.487 5.990 5.161 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.690 5.729 5.455 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.791 4.082 3.974 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.448 3.576 6.669 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.950 4.469 6.533 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.125 2.245 4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.500 3.609 3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.942 3.366 4.812 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.395 2.064 6.953 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.005 2.541 5.351 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.480 1.634 5.489 1.00 0.00 H new ATOM 567 N GLU A 36 -4.785 6.289 2.393 1.00 0.00 N ATOM 568 CA GLU A 36 -4.354 6.687 1.061 1.00 0.00 C ATOM 569 C GLU A 36 -3.666 8.049 1.097 1.00 0.00 C ATOM 570 O GLU A 36 -2.769 8.321 0.298 1.00 0.00 O ATOM 571 CB GLU A 36 -5.556 6.744 0.119 1.00 0.00 C ATOM 572 CG GLU A 36 -6.127 5.337 -0.058 1.00 0.00 C ATOM 573 CD GLU A 36 -7.322 5.377 -1.001 1.00 0.00 C ATOM 574 OE1 GLU A 36 -7.641 6.454 -1.474 1.00 0.00 O ATOM 575 OE2 GLU A 36 -7.898 4.329 -1.240 1.00 0.00 O ATOM 0 H GLU A 36 -5.796 6.229 2.514 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.641 5.947 0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.318 7.410 0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.257 7.151 -0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.361 4.672 -0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.429 4.933 0.909 1.00 0.00 H new ATOM 582 N ASN A 37 -4.097 8.905 2.016 1.00 0.00 N ATOM 583 CA ASN A 37 -3.519 10.238 2.132 1.00 0.00 C ATOM 584 C ASN A 37 -2.034 10.156 2.479 1.00 0.00 C ATOM 585 O ASN A 37 -1.225 10.920 1.954 1.00 0.00 O ATOM 586 CB ASN A 37 -4.251 11.034 3.215 1.00 0.00 C ATOM 587 CG ASN A 37 -5.664 11.374 2.750 1.00 0.00 C ATOM 588 OD1 ASN A 37 -5.951 11.336 1.553 1.00 0.00 O ATOM 589 ND2 ASN A 37 -6.570 11.703 3.631 1.00 0.00 N ATOM 0 H ASN A 37 -4.838 8.702 2.686 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.629 10.741 1.171 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.293 10.455 4.137 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.703 11.949 3.438 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.517 11.929 3.328 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.330 11.734 4.622 1.00 0.00 H new ATOM 596 N ILE A 38 -1.682 9.234 3.369 1.00 0.00 N ATOM 597 CA ILE A 38 -0.289 9.076 3.773 1.00 0.00 C ATOM 598 C ILE A 38 0.575 8.650 2.590 1.00 0.00 C ATOM 599 O ILE A 38 1.649 9.206 2.367 1.00 0.00 O ATOM 600 CB ILE A 38 -0.183 8.029 4.883 1.00 0.00 C ATOM 601 CG1 ILE A 38 -1.129 8.391 6.043 1.00 0.00 C ATOM 602 CG2 ILE A 38 1.256 7.956 5.387 1.00 0.00 C ATOM 603 CD1 ILE A 38 -0.853 9.809 6.557 1.00 0.00 C ATOM 0 H ILE A 38 -2.333 8.591 3.820 1.00 0.00 H new ATOM 0 HA ILE A 38 0.070 10.038 4.140 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.472 7.057 4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.164 8.317 5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.004 7.675 6.856 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.327 7.209 6.178 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.916 7.678 4.565 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.554 8.928 5.779 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.535 10.038 7.376 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.175 9.873 6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.003 10.525 5.749 1.00 0.00 H new ATOM 615 N LEU A 39 0.101 7.669 1.830 1.00 0.00 N ATOM 616 CA LEU A 39 0.845 7.189 0.666 1.00 0.00 C ATOM 617 C LEU A 39 0.990 8.306 -0.364 1.00 0.00 C ATOM 618 O LEU A 39 2.043 8.463 -0.978 1.00 0.00 O ATOM 619 CB LEU A 39 0.123 5.981 0.040 1.00 0.00 C ATOM 620 CG LEU A 39 0.563 4.684 0.733 1.00 0.00 C ATOM 621 CD1 LEU A 39 0.298 4.782 2.237 1.00 0.00 C ATOM 622 CD2 LEU A 39 -0.228 3.511 0.156 1.00 0.00 C ATOM 0 H LEU A 39 -0.786 7.193 1.994 1.00 0.00 H new ATOM 0 HA LEU A 39 1.839 6.878 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.956 6.104 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.346 5.927 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 39 1.629 4.530 0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.612 3.858 2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.859 5.619 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.767 4.938 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.081 2.588 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.293 3.672 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.038 3.435 -0.915 1.00 0.00 H new ATOM 634 N LYS A 40 -0.072 9.081 -0.546 1.00 0.00 N ATOM 635 CA LYS A 40 -0.042 10.177 -1.503 1.00 0.00 C ATOM 636 C LYS A 40 1.081 11.152 -1.156 1.00 0.00 C ATOM 637 O LYS A 40 1.774 11.654 -2.039 1.00 0.00 O ATOM 638 CB LYS A 40 -1.384 10.912 -1.495 1.00 0.00 C ATOM 639 CG LYS A 40 -1.388 11.981 -2.587 1.00 0.00 C ATOM 640 CD LYS A 40 -2.748 12.679 -2.612 1.00 0.00 C ATOM 641 CE LYS A 40 -2.756 13.736 -3.717 1.00 0.00 C ATOM 642 NZ LYS A 40 -4.082 14.417 -3.742 1.00 0.00 N ATOM 0 H LYS A 40 -0.956 8.972 -0.049 1.00 0.00 H new ATOM 0 HA LYS A 40 0.139 9.769 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.198 10.206 -1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.553 11.372 -0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.597 12.708 -2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.183 11.527 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.540 11.950 -2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.948 13.144 -1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.964 14.465 -3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.556 13.271 -4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.089 15.136 -4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.828 13.717 -3.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.255 14.874 -2.824 1.00 0.00 H new ATOM 656 N SER A 41 1.260 11.408 0.137 1.00 0.00 N ATOM 657 CA SER A 41 2.307 12.315 0.585 1.00 0.00 C ATOM 658 C SER A 41 3.683 11.796 0.180 1.00 0.00 C ATOM 659 O SER A 41 4.577 12.573 -0.155 1.00 0.00 O ATOM 660 CB SER A 41 2.240 12.472 2.103 1.00 0.00 C ATOM 661 OG SER A 41 1.099 13.250 2.443 1.00 0.00 O ATOM 0 H SER A 41 0.698 11.003 0.886 1.00 0.00 H new ATOM 0 HA SER A 41 2.150 13.284 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.183 11.493 2.580 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.146 12.953 2.471 1.00 0.00 H new ATOM 0 HG SER A 41 0.291 12.703 2.351 1.00 0.00 H new ATOM 667 N LEU A 42 3.848 10.478 0.217 1.00 0.00 N ATOM 668 CA LEU A 42 5.122 9.864 -0.141 1.00 0.00 C ATOM 669 C LEU A 42 5.341 9.924 -1.650 1.00 0.00 C ATOM 670 O LEU A 42 4.405 9.755 -2.430 1.00 0.00 O ATOM 671 CB LEU A 42 5.138 8.406 0.320 1.00 0.00 C ATOM 672 CG LEU A 42 4.860 8.334 1.824 1.00 0.00 C ATOM 673 CD1 LEU A 42 4.784 6.868 2.253 1.00 0.00 C ATOM 674 CD2 LEU A 42 5.979 9.043 2.604 1.00 0.00 C ATOM 0 H LEU A 42 3.120 9.817 0.490 1.00 0.00 H new ATOM 0 HA LEU A 42 5.924 10.414 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.387 7.834 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.105 7.955 0.098 1.00 0.00 H new ATOM 0 HG LEU A 42 3.913 8.830 2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.586 6.812 3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.981 6.371 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.731 6.375 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.771 8.985 3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.932 8.558 2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.028 10.089 2.300 1.00 0.00 H new ATOM 686 N ASP A 43 6.589 10.162 -2.052 1.00 0.00 N ATOM 687 CA ASP A 43 6.936 10.241 -3.473 1.00 0.00 C ATOM 688 C ASP A 43 7.618 8.954 -3.927 1.00 0.00 C ATOM 689 O ASP A 43 8.770 8.694 -3.582 1.00 0.00 O ATOM 690 CB ASP A 43 7.871 11.429 -3.711 1.00 0.00 C ATOM 691 CG ASP A 43 7.097 12.735 -3.567 1.00 0.00 C ATOM 692 OD1 ASP A 43 5.884 12.672 -3.449 1.00 0.00 O ATOM 693 OD2 ASP A 43 7.728 13.778 -3.579 1.00 0.00 O ATOM 0 H ASP A 43 7.375 10.303 -1.417 1.00 0.00 H new ATOM 0 HA ASP A 43 6.021 10.376 -4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.695 11.404 -2.997 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.310 11.364 -4.707 1.00 0.00 H new ATOM 698 N GLY A 44 6.898 8.150 -4.707 1.00 0.00 N ATOM 699 CA GLY A 44 7.437 6.889 -5.210 1.00 0.00 C ATOM 700 C GLY A 44 6.342 5.834 -5.315 1.00 0.00 C ATOM 701 O GLY A 44 6.528 4.795 -5.945 1.00 0.00 O ATOM 0 H GLY A 44 5.943 8.349 -5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.891 7.047 -6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.226 6.535 -4.546 1.00 0.00 H new ATOM 705 N VAL A 45 5.198 6.110 -4.696 1.00 0.00 N ATOM 706 CA VAL A 45 4.082 5.172 -4.732 1.00 0.00 C ATOM 707 C VAL A 45 3.357 5.258 -6.071 1.00 0.00 C ATOM 708 O VAL A 45 2.971 6.341 -6.512 1.00 0.00 O ATOM 709 CB VAL A 45 3.101 5.482 -3.600 1.00 0.00 C ATOM 710 CG1 VAL A 45 3.857 5.534 -2.268 1.00 0.00 C ATOM 711 CG2 VAL A 45 2.427 6.830 -3.866 1.00 0.00 C ATOM 0 H VAL A 45 5.021 6.965 -4.169 1.00 0.00 H new ATOM 0 HA VAL A 45 4.475 4.163 -4.605 1.00 0.00 H new ATOM 0 HB VAL A 45 2.341 4.702 -3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.158 5.755 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.333 4.571 -2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.618 6.313 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.728 7.052 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.185 7.612 -3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.888 6.787 -4.813 1.00 0.00 H new ATOM 721 N LYS A 46 3.176 4.109 -6.710 1.00 0.00 N ATOM 722 CA LYS A 46 2.494 4.050 -8.001 1.00 0.00 C ATOM 723 C LYS A 46 1.025 3.687 -7.815 1.00 0.00 C ATOM 724 O LYS A 46 0.140 4.317 -8.395 1.00 0.00 O ATOM 725 CB LYS A 46 3.169 3.008 -8.893 1.00 0.00 C ATOM 726 CG LYS A 46 4.591 3.468 -9.228 1.00 0.00 C ATOM 727 CD LYS A 46 5.269 2.448 -10.151 1.00 0.00 C ATOM 728 CE LYS A 46 4.816 2.646 -11.602 1.00 0.00 C ATOM 729 NZ LYS A 46 5.673 1.815 -12.499 1.00 0.00 N ATOM 0 H LYS A 46 3.491 3.205 -6.358 1.00 0.00 H new ATOM 0 HA LYS A 46 2.556 5.031 -8.472 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.197 2.043 -8.386 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.594 2.870 -9.809 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.562 4.445 -9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.170 3.583 -8.312 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.352 2.554 -10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.027 1.437 -9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.770 2.361 -11.712 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.890 3.698 -11.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.371 1.945 -13.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.666 2.108 -12.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.580 0.813 -12.237 1.00 0.00 H new ATOM 743 N GLU A 47 0.777 2.662 -7.005 1.00 0.00 N ATOM 744 CA GLU A 47 -0.590 2.215 -6.750 1.00 0.00 C ATOM 745 C GLU A 47 -0.675 1.463 -5.427 1.00 0.00 C ATOM 746 O GLU A 47 0.319 0.930 -4.933 1.00 0.00 O ATOM 747 CB GLU A 47 -1.069 1.314 -7.892 1.00 0.00 C ATOM 748 CG GLU A 47 0.040 0.330 -8.269 1.00 0.00 C ATOM 749 CD GLU A 47 -0.440 -0.600 -9.379 1.00 0.00 C ATOM 750 OE1 GLU A 47 -1.621 -0.899 -9.408 1.00 0.00 O ATOM 751 OE2 GLU A 47 0.386 -0.999 -10.186 1.00 0.00 O ATOM 0 H GLU A 47 1.497 2.129 -6.517 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.233 3.093 -6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.964 0.770 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.341 1.919 -8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.925 0.875 -8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.332 -0.253 -7.396 1.00 0.00 H new ATOM 758 N TYR A 48 -1.875 1.432 -4.857 1.00 0.00 N ATOM 759 CA TYR A 48 -2.101 0.751 -3.589 1.00 0.00 C ATOM 760 C TYR A 48 -3.565 0.366 -3.431 1.00 0.00 C ATOM 761 O TYR A 48 -4.443 0.924 -4.091 1.00 0.00 O ATOM 762 CB TYR A 48 -1.660 1.651 -2.429 1.00 0.00 C ATOM 763 CG TYR A 48 -2.141 3.061 -2.687 1.00 0.00 C ATOM 764 CD1 TYR A 48 -3.501 3.374 -2.572 1.00 0.00 C ATOM 765 CD2 TYR A 48 -1.224 4.054 -3.057 1.00 0.00 C ATOM 766 CE1 TYR A 48 -3.943 4.679 -2.829 1.00 0.00 C ATOM 767 CE2 TYR A 48 -1.666 5.358 -3.309 1.00 0.00 C ATOM 768 CZ TYR A 48 -3.024 5.670 -3.197 1.00 0.00 C ATOM 769 OH TYR A 48 -3.460 6.955 -3.450 1.00 0.00 O ATOM 0 H TYR A 48 -2.706 1.871 -5.254 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.509 -0.164 -3.578 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.069 1.280 -1.489 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.574 1.636 -2.333 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.209 2.610 -2.285 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.175 3.813 -3.148 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.992 4.920 -2.743 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.958 6.123 -3.590 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.695 7.518 -3.691 1.00 0.00 H new ATOM 779 N SER A 49 -3.819 -0.601 -2.552 1.00 0.00 N ATOM 780 CA SER A 49 -5.177 -1.076 -2.299 1.00 0.00 C ATOM 781 C SER A 49 -5.346 -1.411 -0.823 1.00 0.00 C ATOM 782 O SER A 49 -4.472 -2.029 -0.213 1.00 0.00 O ATOM 783 CB SER A 49 -5.455 -2.324 -3.139 1.00 0.00 C ATOM 784 OG SER A 49 -6.856 -2.563 -3.179 1.00 0.00 O ATOM 0 H SER A 49 -3.100 -1.072 -2.002 1.00 0.00 H new ATOM 0 HA SER A 49 -5.881 -0.290 -2.572 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.069 -2.189 -4.149 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.940 -3.185 -2.713 1.00 0.00 H new ATOM 0 HG SER A 49 -7.036 -3.361 -3.718 1.00 0.00 H new ATOM 790 N VAL A 50 -6.478 -1.008 -0.251 1.00 0.00 N ATOM 791 CA VAL A 50 -6.759 -1.279 1.159 1.00 0.00 C ATOM 792 C VAL A 50 -7.749 -2.425 1.287 1.00 0.00 C ATOM 793 O VAL A 50 -8.894 -2.321 0.844 1.00 0.00 O ATOM 794 CB VAL A 50 -7.340 -0.023 1.821 1.00 0.00 C ATOM 795 CG1 VAL A 50 -7.198 -0.133 3.343 1.00 0.00 C ATOM 796 CG2 VAL A 50 -6.578 1.206 1.324 1.00 0.00 C ATOM 0 H VAL A 50 -7.213 -0.495 -0.738 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.829 -1.556 1.656 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.395 0.071 1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.611 0.760 3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.738 -1.012 3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.144 -0.226 3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.987 2.102 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.524 1.110 1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.679 1.284 0.241 1.00 0.00 H new ATOM 806 N ILE A 51 -7.302 -3.522 1.898 1.00 0.00 N ATOM 807 CA ILE A 51 -8.166 -4.690 2.081 1.00 0.00 C ATOM 808 C ILE A 51 -8.586 -4.821 3.542 1.00 0.00 C ATOM 809 O ILE A 51 -7.837 -5.335 4.378 1.00 0.00 O ATOM 810 CB ILE A 51 -7.435 -5.971 1.628 1.00 0.00 C ATOM 811 CG1 ILE A 51 -6.846 -5.762 0.229 1.00 0.00 C ATOM 812 CG2 ILE A 51 -8.421 -7.147 1.564 1.00 0.00 C ATOM 813 CD1 ILE A 51 -5.958 -6.957 -0.135 1.00 0.00 C ATOM 0 H ILE A 51 -6.358 -3.627 2.271 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.059 -4.556 1.471 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.643 -6.189 2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.647 -5.654 -0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.264 -4.841 0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.895 -8.046 1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.854 -7.313 2.550 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.215 -6.918 0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.539 -6.809 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.149 -7.044 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.554 -7.870 -0.124 1.00 0.00 H new ATOM 825 N VAL A 52 -9.812 -4.369 3.820 1.00 0.00 N ATOM 826 CA VAL A 52 -10.384 -4.456 5.155 1.00 0.00 C ATOM 827 C VAL A 52 -10.831 -5.898 5.438 1.00 0.00 C ATOM 828 O VAL A 52 -10.722 -6.348 6.574 1.00 0.00 O ATOM 829 CB VAL A 52 -11.574 -3.438 5.336 1.00 0.00 C ATOM 830 CG1 VAL A 52 -11.741 -2.573 4.083 1.00 0.00 C ATOM 831 CG2 VAL A 52 -12.914 -4.148 5.630 1.00 0.00 C ATOM 0 H VAL A 52 -10.426 -3.937 3.129 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.618 -4.182 5.881 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.318 -2.814 6.193 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.567 -1.877 4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.823 -2.013 3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.951 -3.212 3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.702 -3.404 5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.162 -4.813 4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -12.824 -4.728 6.548 1.00 0.00 H new ATOM 841 N PRO A 53 -11.351 -6.632 4.456 1.00 0.00 N ATOM 842 CA PRO A 53 -11.834 -8.022 4.705 1.00 0.00 C ATOM 843 C PRO A 53 -10.693 -9.016 4.913 1.00 0.00 C ATOM 844 O PRO A 53 -10.912 -10.135 5.372 1.00 0.00 O ATOM 845 CB PRO A 53 -12.675 -8.353 3.462 1.00 0.00 C ATOM 846 CG PRO A 53 -12.102 -7.514 2.363 1.00 0.00 C ATOM 847 CD PRO A 53 -11.529 -6.251 3.022 1.00 0.00 C ATOM 0 HA PRO A 53 -12.409 -8.094 5.628 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.616 -9.414 3.218 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.727 -8.121 3.626 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.324 -8.058 1.827 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -12.870 -7.255 1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.582 -5.959 2.567 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.207 -5.404 2.916 1.00 0.00 H new ATOM 855 N SER A 54 -9.472 -8.600 4.577 1.00 0.00 N ATOM 856 CA SER A 54 -8.293 -9.458 4.736 1.00 0.00 C ATOM 857 C SER A 54 -7.268 -8.798 5.663 1.00 0.00 C ATOM 858 O SER A 54 -6.200 -9.357 5.921 1.00 0.00 O ATOM 859 CB SER A 54 -7.669 -9.711 3.365 1.00 0.00 C ATOM 860 OG SER A 54 -8.710 -9.832 2.405 1.00 0.00 O ATOM 0 H SER A 54 -9.271 -7.676 4.194 1.00 0.00 H new ATOM 0 HA SER A 54 -8.598 -10.405 5.182 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.001 -8.892 3.097 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.067 -10.619 3.386 1.00 0.00 H new ATOM 0 HG SER A 54 -8.337 -10.149 1.556 1.00 0.00 H new ATOM 866 N ARG A 55 -7.596 -7.611 6.161 1.00 0.00 N ATOM 867 CA ARG A 55 -6.692 -6.892 7.055 1.00 0.00 C ATOM 868 C ARG A 55 -5.284 -6.844 6.471 1.00 0.00 C ATOM 869 O ARG A 55 -4.298 -6.978 7.194 1.00 0.00 O ATOM 870 CB ARG A 55 -6.652 -7.582 8.417 1.00 0.00 C ATOM 871 CG ARG A 55 -8.034 -7.510 9.070 1.00 0.00 C ATOM 872 CD ARG A 55 -8.005 -8.277 10.392 1.00 0.00 C ATOM 873 NE ARG A 55 -7.107 -7.619 11.334 1.00 0.00 N ATOM 874 CZ ARG A 55 -6.814 -8.172 12.505 1.00 0.00 C ATOM 875 NH1 ARG A 55 -7.324 -9.331 12.824 1.00 0.00 N ATOM 876 NH2 ARG A 55 -6.015 -7.560 13.335 1.00 0.00 N ATOM 0 H ARG A 55 -8.473 -7.129 5.964 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.061 -5.873 7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.348 -8.622 8.300 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -5.911 -7.103 9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.313 -6.471 9.245 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.786 -7.935 8.405 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.009 -8.331 10.812 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.676 -9.302 10.220 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.697 -6.718 11.089 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.947 -9.811 12.174 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.100 -9.757 13.723 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.615 -6.656 13.085 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.791 -7.986 14.234 1.00 0.00 H new ATOM 890 N THR A 56 -5.198 -6.651 5.157 1.00 0.00 N ATOM 891 CA THR A 56 -3.906 -6.584 4.469 1.00 0.00 C ATOM 892 C THR A 56 -3.840 -5.350 3.576 1.00 0.00 C ATOM 893 O THR A 56 -4.819 -4.981 2.935 1.00 0.00 O ATOM 894 CB THR A 56 -3.702 -7.841 3.616 1.00 0.00 C ATOM 895 OG1 THR A 56 -3.719 -8.989 4.455 1.00 0.00 O ATOM 896 CG2 THR A 56 -2.358 -7.757 2.890 1.00 0.00 C ATOM 0 H THR A 56 -6.006 -6.538 4.545 1.00 0.00 H new ATOM 0 HA THR A 56 -3.119 -6.521 5.220 1.00 0.00 H new ATOM 0 HB THR A 56 -4.504 -7.915 2.881 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.604 -9.081 4.866 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.215 -8.652 2.284 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.346 -6.877 2.246 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.553 -7.682 3.621 1.00 0.00 H new ATOM 904 N VAL A 57 -2.674 -4.711 3.535 1.00 0.00 N ATOM 905 CA VAL A 57 -2.481 -3.513 2.709 1.00 0.00 C ATOM 906 C VAL A 57 -1.372 -3.759 1.695 1.00 0.00 C ATOM 907 O VAL A 57 -0.295 -4.247 2.042 1.00 0.00 O ATOM 908 CB VAL A 57 -2.116 -2.319 3.595 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.695 -1.130 2.725 1.00 0.00 C ATOM 910 CG2 VAL A 57 -3.330 -1.925 4.441 1.00 0.00 C ATOM 0 H VAL A 57 -1.848 -4.998 4.061 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.409 -3.293 2.181 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.287 -2.597 4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.437 -0.285 3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.829 -1.408 2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.519 -0.850 2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.073 -1.075 5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.157 -1.653 3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.625 -2.767 5.068 1.00 0.00 H new ATOM 920 N ILE A 58 -1.644 -3.423 0.436 1.00 0.00 N ATOM 921 CA ILE A 58 -0.666 -3.608 -0.639 1.00 0.00 C ATOM 922 C ILE A 58 -0.353 -2.278 -1.303 1.00 0.00 C ATOM 923 O ILE A 58 -1.256 -1.534 -1.684 1.00 0.00 O ATOM 924 CB ILE A 58 -1.221 -4.570 -1.686 1.00 0.00 C ATOM 925 CG1 ILE A 58 -1.488 -5.929 -1.037 1.00 0.00 C ATOM 926 CG2 ILE A 58 -0.202 -4.733 -2.819 1.00 0.00 C ATOM 927 CD1 ILE A 58 -2.278 -6.811 -2.005 1.00 0.00 C ATOM 0 H ILE A 58 -2.531 -3.022 0.133 1.00 0.00 H new ATOM 0 HA ILE A 58 0.247 -4.019 -0.208 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.152 -4.173 -2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.546 -6.411 -0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.046 -5.798 -0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.597 -5.420 -3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.012 -3.764 -3.280 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.729 -5.132 -2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.468 -7.779 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.227 -6.330 -2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.703 -6.953 -2.920 1.00 0.00 H new ATOM 939 N VAL A 59 0.936 -1.987 -1.443 1.00 0.00 N ATOM 940 CA VAL A 59 1.377 -0.744 -2.073 1.00 0.00 C ATOM 941 C VAL A 59 2.601 -1.003 -2.939 1.00 0.00 C ATOM 942 O VAL A 59 3.540 -1.679 -2.520 1.00 0.00 O ATOM 943 CB VAL A 59 1.701 0.303 -0.999 1.00 0.00 C ATOM 944 CG1 VAL A 59 2.642 -0.305 0.035 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.371 1.528 -1.637 1.00 0.00 C ATOM 0 H VAL A 59 1.694 -2.593 -1.130 1.00 0.00 H new ATOM 0 HA VAL A 59 0.574 -0.364 -2.705 1.00 0.00 H new ATOM 0 HB VAL A 59 0.774 0.615 -0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.873 0.438 0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.163 -1.167 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.564 -0.622 -0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.596 2.263 -0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.295 1.223 -2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.698 1.969 -2.373 1.00 0.00 H new ATOM 955 N VAL A 60 2.581 -0.451 -4.150 1.00 0.00 N ATOM 956 CA VAL A 60 3.691 -0.608 -5.088 1.00 0.00 C ATOM 957 C VAL A 60 4.477 0.693 -5.170 1.00 0.00 C ATOM 958 O VAL A 60 3.909 1.761 -5.403 1.00 0.00 O ATOM 959 CB VAL A 60 3.159 -0.974 -6.477 1.00 0.00 C ATOM 960 CG1 VAL A 60 4.300 -1.533 -7.332 1.00 0.00 C ATOM 961 CG2 VAL A 60 2.065 -2.036 -6.343 1.00 0.00 C ATOM 0 H VAL A 60 1.807 0.110 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 60 4.343 -1.407 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 60 2.748 -0.083 -6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.920 -1.793 -8.320 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.083 -0.781 -7.430 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.710 -2.423 -6.855 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.687 -2.296 -7.332 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.478 -2.926 -5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.250 -1.644 -5.735 1.00 0.00 H new ATOM 971 N HIS A 61 5.780 0.598 -4.955 1.00 0.00 N ATOM 972 CA HIS A 61 6.640 1.777 -4.986 1.00 0.00 C ATOM 973 C HIS A 61 8.071 1.386 -5.345 1.00 0.00 C ATOM 974 O HIS A 61 8.504 0.266 -5.074 1.00 0.00 O ATOM 975 CB HIS A 61 6.639 2.446 -3.613 1.00 0.00 C ATOM 976 CG HIS A 61 7.276 1.526 -2.608 1.00 0.00 C ATOM 977 ND1 HIS A 61 8.594 1.670 -2.208 1.00 0.00 N ATOM 978 CD2 HIS A 61 6.785 0.457 -1.901 1.00 0.00 C ATOM 979 CE1 HIS A 61 8.848 0.717 -1.296 1.00 0.00 C ATOM 980 NE2 HIS A 61 7.779 -0.051 -1.071 1.00 0.00 N ATOM 0 H HIS A 61 6.266 -0.277 -4.758 1.00 0.00 H new ATOM 0 HA HIS A 61 6.257 2.465 -5.740 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.184 3.389 -3.656 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.618 2.681 -3.312 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.780 0.069 -1.977 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.801 0.588 -0.804 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.707 -0.840 -0.429 1.00 0.00 H new ATOM 989 N ASP A 62 8.802 2.320 -5.942 1.00 0.00 N ATOM 990 CA ASP A 62 10.188 2.066 -6.320 1.00 0.00 C ATOM 991 C ASP A 62 11.063 1.968 -5.076 1.00 0.00 C ATOM 992 O ASP A 62 11.154 2.910 -4.290 1.00 0.00 O ATOM 993 CB ASP A 62 10.700 3.191 -7.211 1.00 0.00 C ATOM 994 CG ASP A 62 12.133 2.908 -7.648 1.00 0.00 C ATOM 995 OD1 ASP A 62 12.688 1.923 -7.189 1.00 0.00 O ATOM 996 OD2 ASP A 62 12.658 3.685 -8.428 1.00 0.00 O ATOM 0 H ASP A 62 8.462 3.253 -6.174 1.00 0.00 H new ATOM 0 HA ASP A 62 10.232 1.123 -6.865 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.059 3.291 -8.087 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.657 4.138 -6.674 1.00 0.00 H new ATOM 1001 N SER A 63 11.699 0.818 -4.899 1.00 0.00 N ATOM 1002 CA SER A 63 12.558 0.601 -3.745 1.00 0.00 C ATOM 1003 C SER A 63 13.705 1.606 -3.726 1.00 0.00 C ATOM 1004 O SER A 63 14.050 2.148 -2.676 1.00 0.00 O ATOM 1005 CB SER A 63 13.133 -0.813 -3.781 1.00 0.00 C ATOM 1006 OG SER A 63 12.075 -1.746 -3.934 1.00 0.00 O ATOM 0 H SER A 63 11.636 0.025 -5.537 1.00 0.00 H new ATOM 0 HA SER A 63 11.956 0.733 -2.846 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.840 -0.909 -4.605 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.684 -1.018 -2.863 1.00 0.00 H new ATOM 0 HG SER A 63 12.025 -2.318 -3.139 1.00 0.00 H new ATOM 1012 N LEU A 64 14.303 1.839 -4.888 1.00 0.00 N ATOM 1013 CA LEU A 64 15.417 2.770 -4.982 1.00 0.00 C ATOM 1014 C LEU A 64 14.980 4.185 -4.607 1.00 0.00 C ATOM 1015 O LEU A 64 15.661 4.866 -3.840 1.00 0.00 O ATOM 1016 CB LEU A 64 15.959 2.766 -6.421 1.00 0.00 C ATOM 1017 CG LEU A 64 16.889 1.562 -6.643 1.00 0.00 C ATOM 1018 CD1 LEU A 64 18.194 1.721 -5.837 1.00 0.00 C ATOM 1019 CD2 LEU A 64 16.155 0.284 -6.222 1.00 0.00 C ATOM 0 H LEU A 64 14.038 1.400 -5.770 1.00 0.00 H new ATOM 0 HA LEU A 64 16.195 2.455 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 64 15.130 2.728 -7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.501 3.692 -6.614 1.00 0.00 H new ATOM 0 HG LEU A 64 17.155 1.503 -7.698 1.00 0.00 H new ATOM 0 HD11 LEU A 64 18.836 0.857 -6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 64 18.710 2.627 -6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 64 17.959 1.792 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.806 -0.577 -6.375 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.884 0.351 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 64 15.253 0.168 -6.822 1.00 0.00 H new ATOM 1031 N LEU A 65 13.856 4.630 -5.161 1.00 0.00 N ATOM 1032 CA LEU A 65 13.371 5.973 -4.870 1.00 0.00 C ATOM 1033 C LEU A 65 12.938 6.073 -3.408 1.00 0.00 C ATOM 1034 O LEU A 65 13.293 7.018 -2.705 1.00 0.00 O ATOM 1035 CB LEU A 65 12.189 6.304 -5.794 1.00 0.00 C ATOM 1036 CG LEU A 65 12.056 7.822 -5.983 1.00 0.00 C ATOM 1037 CD1 LEU A 65 10.937 8.099 -6.991 1.00 0.00 C ATOM 1038 CD2 LEU A 65 11.731 8.498 -4.639 1.00 0.00 C ATOM 0 H LEU A 65 13.274 4.091 -5.802 1.00 0.00 H new ATOM 0 HA LEU A 65 14.175 6.688 -5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.332 5.823 -6.762 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.268 5.903 -5.372 1.00 0.00 H new ATOM 0 HG LEU A 65 12.997 8.227 -6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.833 9.175 -7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.181 7.629 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.999 7.691 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.639 9.574 -4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.792 8.103 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.531 8.296 -3.927 1.00 0.00 H new ATOM 1050 N ILE A 66 12.176 5.079 -2.953 1.00 0.00 N ATOM 1051 CA ILE A 66 11.695 5.059 -1.572 1.00 0.00 C ATOM 1052 C ILE A 66 11.652 3.627 -1.041 1.00 0.00 C ATOM 1053 O ILE A 66 11.266 2.701 -1.754 1.00 0.00 O ATOM 1054 CB ILE A 66 10.301 5.682 -1.501 1.00 0.00 C ATOM 1055 CG1 ILE A 66 9.891 5.853 -0.038 1.00 0.00 C ATOM 1056 CG2 ILE A 66 9.292 4.776 -2.212 1.00 0.00 C ATOM 1057 CD1 ILE A 66 8.552 6.591 0.039 1.00 0.00 C ATOM 0 H ILE A 66 11.880 4.282 -3.516 1.00 0.00 H new ATOM 0 HA ILE A 66 12.381 5.638 -0.954 1.00 0.00 H new ATOM 0 HB ILE A 66 10.318 6.656 -1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.808 4.878 0.443 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.656 6.411 0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.300 5.224 -2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.581 4.658 -3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.275 3.800 -1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.262 6.711 1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.650 7.572 -0.426 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.789 6.016 -0.485 1.00 0.00 H new ATOM 1069 N SER A 67 12.054 3.451 0.216 1.00 0.00 N ATOM 1070 CA SER A 67 12.063 2.124 0.836 1.00 0.00 C ATOM 1071 C SER A 67 10.742 1.868 1.573 1.00 0.00 C ATOM 1072 O SER A 67 10.006 2.804 1.889 1.00 0.00 O ATOM 1073 CB SER A 67 13.256 2.024 1.806 1.00 0.00 C ATOM 1074 OG SER A 67 14.202 1.099 1.285 1.00 0.00 O ATOM 0 H SER A 67 12.376 4.204 0.824 1.00 0.00 H new ATOM 0 HA SER A 67 12.168 1.364 0.062 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.719 3.002 1.935 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.915 1.700 2.789 1.00 0.00 H new ATOM 0 HG SER A 67 14.965 1.032 1.897 1.00 0.00 H new ATOM 1080 N PRO A 68 10.438 0.625 1.852 1.00 0.00 N ATOM 1081 CA PRO A 68 9.184 0.244 2.571 1.00 0.00 C ATOM 1082 C PRO A 68 9.179 0.760 4.011 1.00 0.00 C ATOM 1083 O PRO A 68 8.121 0.951 4.608 1.00 0.00 O ATOM 1084 CB PRO A 68 9.182 -1.296 2.530 1.00 0.00 C ATOM 1085 CG PRO A 68 10.616 -1.680 2.329 1.00 0.00 C ATOM 1086 CD PRO A 68 11.255 -0.553 1.516 1.00 0.00 C ATOM 0 HA PRO A 68 8.297 0.677 2.110 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.787 -1.715 3.456 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.556 -1.668 1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.123 -1.804 3.286 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.693 -2.631 1.802 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.300 -0.406 1.788 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.230 -0.766 0.447 1.00 0.00 H new ATOM 1094 N PHE A 69 10.367 0.981 4.560 1.00 0.00 N ATOM 1095 CA PHE A 69 10.485 1.470 5.928 1.00 0.00 C ATOM 1096 C PHE A 69 9.852 2.851 6.058 1.00 0.00 C ATOM 1097 O PHE A 69 9.229 3.164 7.072 1.00 0.00 O ATOM 1098 CB PHE A 69 11.957 1.535 6.341 1.00 0.00 C ATOM 1099 CG PHE A 69 12.507 0.134 6.471 1.00 0.00 C ATOM 1100 CD1 PHE A 69 12.142 -0.657 7.568 1.00 0.00 C ATOM 1101 CD2 PHE A 69 13.381 -0.375 5.501 1.00 0.00 C ATOM 1102 CE1 PHE A 69 12.651 -1.956 7.694 1.00 0.00 C ATOM 1103 CE2 PHE A 69 13.889 -1.674 5.629 1.00 0.00 C ATOM 1104 CZ PHE A 69 13.525 -2.464 6.726 1.00 0.00 C ATOM 0 H PHE A 69 11.256 0.831 4.083 1.00 0.00 H new ATOM 0 HA PHE A 69 9.959 0.778 6.586 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.529 2.094 5.601 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.057 2.065 7.288 1.00 0.00 H new ATOM 0 HD1 PHE A 69 11.469 -0.266 8.316 1.00 0.00 H new ATOM 0 HD2 PHE A 69 13.663 0.234 4.655 1.00 0.00 H new ATOM 0 HE1 PHE A 69 12.369 -2.566 8.539 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.562 -2.066 4.881 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.918 -3.465 6.825 1.00 0.00 H new ATOM 1114 N GLN A 70 10.016 3.669 5.028 1.00 0.00 N ATOM 1115 CA GLN A 70 9.459 5.011 5.040 1.00 0.00 C ATOM 1116 C GLN A 70 7.933 4.958 5.017 1.00 0.00 C ATOM 1117 O GLN A 70 7.266 5.753 5.681 1.00 0.00 O ATOM 1118 CB GLN A 70 9.973 5.798 3.834 1.00 0.00 C ATOM 1119 CG GLN A 70 9.447 7.232 3.902 1.00 0.00 C ATOM 1120 CD GLN A 70 10.139 8.095 2.851 1.00 0.00 C ATOM 1121 OE1 GLN A 70 11.198 7.728 2.345 1.00 0.00 O ATOM 1122 NE2 GLN A 70 9.600 9.230 2.496 1.00 0.00 N ATOM 0 H GLN A 70 10.527 3.428 4.179 1.00 0.00 H new ATOM 0 HA GLN A 70 9.774 5.511 5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.063 5.799 3.824 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.646 5.322 2.909 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.369 7.240 3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.622 7.645 4.895 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.722 9.531 2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.057 9.815 1.797 1.00 0.00 H new ATOM 1131 N ILE A 71 7.386 4.017 4.251 1.00 0.00 N ATOM 1132 CA ILE A 71 5.936 3.878 4.155 1.00 0.00 C ATOM 1133 C ILE A 71 5.347 3.501 5.511 1.00 0.00 C ATOM 1134 O ILE A 71 4.335 4.057 5.936 1.00 0.00 O ATOM 1135 CB ILE A 71 5.575 2.806 3.118 1.00 0.00 C ATOM 1136 CG1 ILE A 71 5.975 3.297 1.723 1.00 0.00 C ATOM 1137 CG2 ILE A 71 4.066 2.540 3.152 1.00 0.00 C ATOM 1138 CD1 ILE A 71 5.838 2.158 0.709 1.00 0.00 C ATOM 0 H ILE A 71 7.917 3.347 3.694 1.00 0.00 H new ATOM 0 HA ILE A 71 5.518 4.834 3.841 1.00 0.00 H new ATOM 0 HB ILE A 71 6.108 1.884 3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.344 4.135 1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.002 3.661 1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.814 1.778 2.414 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.780 2.192 4.145 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.529 3.460 2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.124 2.515 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.488 1.333 0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.804 1.814 0.685 1.00 0.00 H new ATOM 1150 N ALA A 72 5.989 2.556 6.186 1.00 0.00 N ATOM 1151 CA ALA A 72 5.516 2.117 7.492 1.00 0.00 C ATOM 1152 C ALA A 72 5.635 3.241 8.511 1.00 0.00 C ATOM 1153 O ALA A 72 4.755 3.430 9.350 1.00 0.00 O ATOM 1154 CB ALA A 72 6.332 0.917 7.962 1.00 0.00 C ATOM 0 H ALA A 72 6.830 2.083 5.855 1.00 0.00 H new ATOM 0 HA ALA A 72 4.467 1.834 7.401 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.973 0.593 8.939 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.224 0.101 7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.383 1.198 8.036 1.00 0.00 H new ATOM 1160 N LYS A 73 6.733 3.985 8.435 1.00 0.00 N ATOM 1161 CA LYS A 73 6.958 5.083 9.355 1.00 0.00 C ATOM 1162 C LYS A 73 5.894 6.158 9.173 1.00 0.00 C ATOM 1163 O LYS A 73 5.399 6.727 10.143 1.00 0.00 O ATOM 1164 CB LYS A 73 8.346 5.688 9.108 1.00 0.00 C ATOM 1165 CG LYS A 73 8.770 6.545 10.314 1.00 0.00 C ATOM 1166 CD LYS A 73 9.450 5.673 11.378 1.00 0.00 C ATOM 1167 CE LYS A 73 9.912 6.559 12.541 1.00 0.00 C ATOM 1168 NZ LYS A 73 8.720 7.104 13.251 1.00 0.00 N ATOM 0 H LYS A 73 7.474 3.846 7.749 1.00 0.00 H new ATOM 0 HA LYS A 73 6.901 4.701 10.374 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.074 4.893 8.942 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.330 6.299 8.205 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.452 7.330 9.988 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.897 7.038 10.742 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.757 4.913 11.738 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.302 5.149 10.945 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.527 5.981 13.231 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.531 7.375 12.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.005 7.457 14.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.312 7.884 12.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.010 6.352 13.366 1.00 0.00 H new ATOM 1182 N ALA A 74 5.552 6.437 7.921 1.00 0.00 N ATOM 1183 CA ALA A 74 4.552 7.454 7.629 1.00 0.00 C ATOM 1184 C ALA A 74 3.214 7.082 8.262 1.00 0.00 C ATOM 1185 O ALA A 74 2.540 7.924 8.855 1.00 0.00 O ATOM 1186 CB ALA A 74 4.391 7.603 6.114 1.00 0.00 C ATOM 0 H ALA A 74 5.948 5.978 7.100 1.00 0.00 H new ATOM 0 HA ALA A 74 4.883 8.403 8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.642 8.365 5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.344 7.898 5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.073 6.652 5.687 1.00 0.00 H new ATOM 1192 N LEU A 75 2.844 5.814 8.137 1.00 0.00 N ATOM 1193 CA LEU A 75 1.594 5.323 8.705 1.00 0.00 C ATOM 1194 C LEU A 75 1.631 5.387 10.231 1.00 0.00 C ATOM 1195 O LEU A 75 0.630 5.708 10.874 1.00 0.00 O ATOM 1196 CB LEU A 75 1.351 3.882 8.252 1.00 0.00 C ATOM 1197 CG LEU A 75 1.034 3.849 6.748 1.00 0.00 C ATOM 1198 CD1 LEU A 75 1.095 2.400 6.260 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -0.370 4.426 6.477 1.00 0.00 C ATOM 0 H LEU A 75 3.391 5.106 7.647 1.00 0.00 H new ATOM 0 HA LEU A 75 0.781 5.957 8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.231 3.274 8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.524 3.450 8.816 1.00 0.00 H new ATOM 0 HG LEU A 75 1.766 4.456 6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.871 2.365 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.093 1.999 6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.364 1.802 6.804 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.576 4.394 5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.115 3.834 7.008 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.412 5.458 6.824 1.00 0.00 H new ATOM 1211 N ASN A 76 2.786 5.072 10.806 1.00 0.00 N ATOM 1212 CA ASN A 76 2.940 5.089 12.255 1.00 0.00 C ATOM 1213 C ASN A 76 2.678 6.490 12.802 1.00 0.00 C ATOM 1214 O ASN A 76 2.054 6.650 13.851 1.00 0.00 O ATOM 1215 CB ASN A 76 4.356 4.644 12.631 1.00 0.00 C ATOM 1216 CG ASN A 76 4.493 3.135 12.457 1.00 0.00 C ATOM 1217 OD1 ASN A 76 3.763 2.366 13.083 1.00 0.00 O ATOM 1218 ND2 ASN A 76 5.389 2.662 11.634 1.00 0.00 N ATOM 0 H ASN A 76 3.626 4.803 10.293 1.00 0.00 H new ATOM 0 HA ASN A 76 2.216 4.401 12.692 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.086 5.158 12.005 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.571 4.920 13.663 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.485 1.654 11.509 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.993 3.300 11.116 1.00 0.00 H new ATOM 1225 N GLU A 77 3.154 7.498 12.081 1.00 0.00 N ATOM 1226 CA GLU A 77 2.960 8.883 12.502 1.00 0.00 C ATOM 1227 C GLU A 77 1.475 9.199 12.638 1.00 0.00 C ATOM 1228 O GLU A 77 1.084 10.052 13.436 1.00 0.00 O ATOM 1229 CB GLU A 77 3.596 9.833 11.485 1.00 0.00 C ATOM 1230 CG GLU A 77 5.118 9.712 11.553 1.00 0.00 C ATOM 1231 CD GLU A 77 5.757 10.551 10.453 1.00 0.00 C ATOM 1232 OE1 GLU A 77 5.021 11.170 9.703 1.00 0.00 O ATOM 1233 OE2 GLU A 77 6.974 10.562 10.374 1.00 0.00 O ATOM 0 H GLU A 77 3.673 7.386 11.210 1.00 0.00 H new ATOM 0 HA GLU A 77 3.438 9.018 13.472 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.247 9.594 10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.293 10.859 11.692 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.474 10.044 12.528 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.413 8.668 11.444 1.00 0.00 H new ATOM 1240 N ALA A 78 0.652 8.510 11.856 1.00 0.00 N ATOM 1241 CA ALA A 78 -0.790 8.726 11.899 1.00 0.00 C ATOM 1242 C ALA A 78 -1.402 8.024 13.110 1.00 0.00 C ATOM 1243 O ALA A 78 -2.604 8.132 13.357 1.00 0.00 O ATOM 1244 CB ALA A 78 -1.436 8.198 10.616 1.00 0.00 C ATOM 0 H ALA A 78 0.956 7.801 11.188 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.976 9.797 11.983 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.513 8.363 10.656 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.020 8.723 9.756 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.236 7.131 10.520 1.00 0.00 H new ATOM 1250 N ARG A 79 -0.569 7.304 13.855 1.00 0.00 N ATOM 1251 CA ARG A 79 -1.030 6.579 15.038 1.00 0.00 C ATOM 1252 C ARG A 79 -1.887 5.369 14.648 1.00 0.00 C ATOM 1253 O ARG A 79 -2.762 4.950 15.405 1.00 0.00 O ATOM 1254 CB ARG A 79 -1.844 7.519 15.943 1.00 0.00 C ATOM 1255 CG ARG A 79 -1.802 7.025 17.393 1.00 0.00 C ATOM 1256 CD ARG A 79 -2.652 7.948 18.267 1.00 0.00 C ATOM 1257 NE ARG A 79 -4.059 7.831 17.903 1.00 0.00 N ATOM 1258 CZ ARG A 79 -4.940 8.761 18.258 1.00 0.00 C ATOM 1259 NH1 ARG A 79 -4.548 9.803 18.939 1.00 0.00 N ATOM 1260 NH2 ARG A 79 -6.195 8.632 17.925 1.00 0.00 N ATOM 0 H ARG A 79 0.428 7.206 13.662 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.154 6.219 15.577 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -1.442 8.531 15.884 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.876 7.565 15.597 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -2.177 6.003 17.452 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.774 7.009 17.754 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.518 7.691 19.318 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.322 8.980 18.147 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.373 7.022 17.367 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.567 9.903 19.198 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.223 10.517 19.212 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.500 7.817 17.392 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -6.871 9.346 18.197 1.00 0.00 H new ATOM 1274 N LEU A 80 -1.618 4.804 13.470 1.00 0.00 N ATOM 1275 CA LEU A 80 -2.358 3.629 12.993 1.00 0.00 C ATOM 1276 C LEU A 80 -1.550 2.356 13.242 1.00 0.00 C ATOM 1277 O LEU A 80 -1.994 1.257 12.911 1.00 0.00 O ATOM 1278 CB LEU A 80 -2.662 3.772 11.488 1.00 0.00 C ATOM 1279 CG LEU A 80 -3.956 4.571 11.287 1.00 0.00 C ATOM 1280 CD1 LEU A 80 -3.859 5.904 12.029 1.00 0.00 C ATOM 1281 CD2 LEU A 80 -4.167 4.829 9.793 1.00 0.00 C ATOM 0 H LEU A 80 -0.897 5.137 12.830 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.297 3.562 13.542 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.834 4.274 10.988 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.759 2.786 11.033 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.798 4.002 11.681 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.780 6.469 11.884 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.711 5.718 13.093 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.017 6.477 11.640 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.086 5.397 9.648 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.324 5.397 9.399 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.241 3.878 9.266 1.00 0.00 H new ATOM 1293 N GLU A 81 -0.367 2.510 13.831 1.00 0.00 N ATOM 1294 CA GLU A 81 0.490 1.364 14.124 1.00 0.00 C ATOM 1295 C GLU A 81 0.543 0.419 12.929 1.00 0.00 C ATOM 1296 O GLU A 81 -0.349 -0.406 12.737 1.00 0.00 O ATOM 1297 CB GLU A 81 -0.047 0.614 15.346 1.00 0.00 C ATOM 1298 CG GLU A 81 0.969 -0.443 15.790 1.00 0.00 C ATOM 1299 CD GLU A 81 2.189 0.238 16.398 1.00 0.00 C ATOM 1300 OE1 GLU A 81 2.136 1.440 16.593 1.00 0.00 O ATOM 1301 OE2 GLU A 81 3.158 -0.454 16.664 1.00 0.00 O ATOM 0 H GLU A 81 0.019 3.411 14.113 1.00 0.00 H new ATOM 0 HA GLU A 81 1.497 1.727 14.332 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.237 1.314 16.160 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.998 0.139 15.105 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.515 -1.114 16.519 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.269 -1.053 14.938 1.00 0.00 H new ATOM 1308 N ALA A 82 1.597 0.542 12.124 1.00 0.00 N ATOM 1309 CA ALA A 82 1.756 -0.307 10.944 1.00 0.00 C ATOM 1310 C ALA A 82 3.201 -0.760 10.802 1.00 0.00 C ATOM 1311 O ALA A 82 4.127 -0.048 11.189 1.00 0.00 O ATOM 1312 CB ALA A 82 1.337 0.462 9.691 1.00 0.00 C ATOM 0 H ALA A 82 2.349 1.216 12.265 1.00 0.00 H new ATOM 0 HA ALA A 82 1.122 -1.186 11.063 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.458 -0.176 8.815 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.293 0.762 9.780 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.961 1.349 9.583 1.00 0.00 H new ATOM 1318 N ASN A 83 3.387 -1.954 10.248 1.00 0.00 N ATOM 1319 CA ASN A 83 4.725 -2.502 10.054 1.00 0.00 C ATOM 1320 C ASN A 83 4.736 -3.471 8.877 1.00 0.00 C ATOM 1321 O ASN A 83 3.685 -3.879 8.387 1.00 0.00 O ATOM 1322 CB ASN A 83 5.176 -3.231 11.322 1.00 0.00 C ATOM 1323 CG ASN A 83 4.082 -4.182 11.795 1.00 0.00 C ATOM 1324 OD1 ASN A 83 4.041 -4.547 12.971 1.00 0.00 O ATOM 1325 ND2 ASN A 83 3.187 -4.609 10.947 1.00 0.00 N ATOM 0 H ASN A 83 2.631 -2.559 9.927 1.00 0.00 H new ATOM 0 HA ASN A 83 5.411 -1.681 9.843 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.092 -3.787 11.125 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.404 -2.508 12.105 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.453 -5.245 11.258 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.221 -4.306 9.974 1.00 0.00 H new ATOM 1332 N VAL A 84 5.934 -3.837 8.431 1.00 0.00 N ATOM 1333 CA VAL A 84 6.079 -4.761 7.308 1.00 0.00 C ATOM 1334 C VAL A 84 6.053 -6.204 7.798 1.00 0.00 C ATOM 1335 O VAL A 84 6.487 -6.501 8.910 1.00 0.00 O ATOM 1336 CB VAL A 84 7.398 -4.495 6.583 1.00 0.00 C ATOM 1337 CG1 VAL A 84 7.507 -5.410 5.362 1.00 0.00 C ATOM 1338 CG2 VAL A 84 7.446 -3.036 6.134 1.00 0.00 C ATOM 0 H VAL A 84 6.815 -3.510 8.827 1.00 0.00 H new ATOM 0 HA VAL A 84 5.247 -4.604 6.622 1.00 0.00 H new ATOM 0 HB VAL A 84 8.230 -4.695 7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.448 -5.219 4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.475 -6.451 5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.676 -5.213 4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.386 -2.845 5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.614 -2.835 5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.372 -2.385 7.005 1.00 0.00 H new ATOM 1348 N ARG A 85 5.539 -7.099 6.959 1.00 0.00 N ATOM 1349 CA ARG A 85 5.460 -8.511 7.318 1.00 0.00 C ATOM 1350 C ARG A 85 6.753 -8.973 7.987 1.00 0.00 C ATOM 1351 O ARG A 85 7.847 -8.562 7.598 1.00 0.00 O ATOM 1352 CB ARG A 85 5.207 -9.351 6.064 1.00 0.00 C ATOM 1353 CG ARG A 85 6.292 -9.057 5.025 1.00 0.00 C ATOM 1354 CD ARG A 85 6.063 -9.923 3.786 1.00 0.00 C ATOM 1355 NE ARG A 85 6.314 -11.325 4.097 1.00 0.00 N ATOM 1356 CZ ARG A 85 6.176 -12.270 3.173 1.00 0.00 C ATOM 1357 NH1 ARG A 85 5.809 -11.950 1.962 1.00 0.00 N ATOM 1358 NH2 ARG A 85 6.408 -13.518 3.477 1.00 0.00 N ATOM 0 H ARG A 85 5.174 -6.874 6.034 1.00 0.00 H new ATOM 0 HA ARG A 85 4.637 -8.641 8.020 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.209 -10.411 6.317 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.224 -9.123 5.653 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.272 -8.002 4.752 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.277 -9.259 5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.040 -9.799 3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.721 -9.598 2.980 1.00 0.00 H new ATOM 0 HE ARG A 85 6.601 -11.585 5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.628 -10.975 1.725 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.703 -12.675 1.253 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.695 -13.767 4.423 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.302 -14.244 2.768 1.00 0.00 H new ATOM 1372 N VAL A 86 6.617 -9.828 8.997 1.00 0.00 N ATOM 1373 CA VAL A 86 7.779 -10.337 9.717 1.00 0.00 C ATOM 1374 C VAL A 86 8.422 -11.489 8.948 1.00 0.00 C ATOM 1375 O VAL A 86 7.748 -12.441 8.557 1.00 0.00 O ATOM 1376 CB VAL A 86 7.362 -10.823 11.108 1.00 0.00 C ATOM 1377 CG1 VAL A 86 6.779 -9.653 11.905 1.00 0.00 C ATOM 1378 CG2 VAL A 86 6.306 -11.925 10.972 1.00 0.00 C ATOM 0 H VAL A 86 5.721 -10.180 9.333 1.00 0.00 H new ATOM 0 HA VAL A 86 8.503 -9.529 9.816 1.00 0.00 H new ATOM 0 HB VAL A 86 8.234 -11.219 11.629 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.482 -9.999 12.895 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.531 -8.870 12.005 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.908 -9.256 11.384 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.010 -12.270 11.963 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.434 -11.531 10.450 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.721 -12.759 10.407 1.00 0.00 H new ATOM 1388 N ASN A 87 9.735 -11.394 8.734 1.00 0.00 N ATOM 1389 CA ASN A 87 10.476 -12.431 8.010 1.00 0.00 C ATOM 1390 C ASN A 87 11.408 -13.180 8.957 1.00 0.00 C ATOM 1391 O ASN A 87 11.279 -14.390 9.145 1.00 0.00 O ATOM 1392 CB ASN A 87 11.289 -11.795 6.884 1.00 0.00 C ATOM 1393 CG ASN A 87 10.356 -11.326 5.774 1.00 0.00 C ATOM 1394 OD1 ASN A 87 9.208 -11.765 5.701 1.00 0.00 O ATOM 1395 ND2 ASN A 87 10.780 -10.455 4.899 1.00 0.00 N ATOM 0 H ASN A 87 10.308 -10.611 9.051 1.00 0.00 H new ATOM 0 HA ASN A 87 9.763 -13.139 7.588 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.863 -10.952 7.269 1.00 0.00 H new ATOM 0 HB3 ASN A 87 12.006 -12.515 6.489 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.160 -10.137 4.154 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.731 -10.092 4.960 1.00 0.00 H new ATOM 1402 N GLY A 88 12.347 -12.450 9.553 1.00 0.00 N ATOM 1403 CA GLY A 88 13.295 -13.055 10.482 1.00 0.00 C ATOM 1404 C GLY A 88 14.458 -12.111 10.767 1.00 0.00 C ATOM 1405 O GLY A 88 14.513 -11.000 10.239 1.00 0.00 O ATOM 0 H GLY A 88 12.471 -11.448 9.411 1.00 0.00 H new ATOM 0 HA2 GLY A 88 12.788 -13.305 11.414 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.673 -13.988 10.065 1.00 0.00 H new ATOM 1409 N GLU A 89 15.385 -12.560 11.605 1.00 0.00 N ATOM 1410 CA GLU A 89 16.545 -11.747 11.955 1.00 0.00 C ATOM 1411 C GLU A 89 17.448 -11.552 10.742 1.00 0.00 C ATOM 1412 O GLU A 89 17.991 -10.469 10.528 1.00 0.00 O ATOM 1413 CB GLU A 89 17.335 -12.420 13.078 1.00 0.00 C ATOM 1414 CG GLU A 89 16.508 -12.400 14.365 1.00 0.00 C ATOM 1415 CD GLU A 89 17.239 -13.158 15.467 1.00 0.00 C ATOM 1416 OE1 GLU A 89 18.330 -13.639 15.205 1.00 0.00 O ATOM 1417 OE2 GLU A 89 16.697 -13.249 16.557 1.00 0.00 O ATOM 0 H GLU A 89 15.358 -13.476 12.052 1.00 0.00 H new ATOM 0 HA GLU A 89 16.193 -10.772 12.293 1.00 0.00 H new ATOM 0 HB2 GLU A 89 17.575 -13.447 12.803 1.00 0.00 H new ATOM 0 HB3 GLU A 89 18.281 -11.902 13.233 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.330 -11.371 14.677 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.532 -12.852 14.187 1.00 0.00 H new ATOM 1424 N THR A 90 17.606 -12.609 9.952 1.00 0.00 N ATOM 1425 CA THR A 90 18.448 -12.545 8.763 1.00 0.00 C ATOM 1426 C THR A 90 19.799 -11.921 9.093 1.00 0.00 C ATOM 1427 O THR A 90 19.926 -10.701 9.186 1.00 0.00 O ATOM 1428 CB THR A 90 17.755 -11.719 7.675 1.00 0.00 C ATOM 1429 OG1 THR A 90 16.396 -12.118 7.576 1.00 0.00 O ATOM 1430 CG2 THR A 90 18.455 -11.944 6.334 1.00 0.00 C ATOM 0 H THR A 90 17.165 -13.515 10.112 1.00 0.00 H new ATOM 0 HA THR A 90 18.609 -13.561 8.402 1.00 0.00 H new ATOM 0 HB THR A 90 17.806 -10.661 7.933 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.950 -11.590 6.882 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.960 -11.355 5.562 1.00 0.00 H new ATOM 0 HG22 THR A 90 19.498 -11.637 6.412 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.407 -13.001 6.071 1.00 0.00 H new ATOM 1438 N SER A 91 20.807 -12.768 9.272 1.00 0.00 N ATOM 1439 CA SER A 91 22.146 -12.290 9.592 1.00 0.00 C ATOM 1440 C SER A 91 22.758 -11.578 8.391 1.00 0.00 C ATOM 1441 O SER A 91 22.485 -11.930 7.244 1.00 0.00 O ATOM 1442 CB SER A 91 23.038 -13.463 9.997 1.00 0.00 C ATOM 1443 OG SER A 91 22.345 -14.281 10.928 1.00 0.00 O ATOM 0 H SER A 91 20.723 -13.782 9.201 1.00 0.00 H new ATOM 0 HA SER A 91 22.072 -11.587 10.422 1.00 0.00 H new ATOM 0 HB2 SER A 91 23.313 -14.046 9.118 1.00 0.00 H new ATOM 0 HB3 SER A 91 23.964 -13.095 10.438 1.00 0.00 H new ATOM 0 HG SER A 91 22.914 -15.035 11.188 1.00 0.00 H new ATOM 1449 N PHE A 92 23.590 -10.572 8.663 1.00 0.00 N ATOM 1450 CA PHE A 92 24.246 -9.807 7.599 1.00 0.00 C ATOM 1451 C PHE A 92 25.712 -10.204 7.484 1.00 0.00 C ATOM 1452 O PHE A 92 26.366 -10.510 8.481 1.00 0.00 O ATOM 1453 CB PHE A 92 24.147 -8.310 7.900 1.00 0.00 C ATOM 1454 CG PHE A 92 22.704 -7.875 7.821 1.00 0.00 C ATOM 1455 CD1 PHE A 92 22.096 -7.694 6.574 1.00 0.00 C ATOM 1456 CD2 PHE A 92 21.972 -7.654 8.995 1.00 0.00 C ATOM 1457 CE1 PHE A 92 20.756 -7.293 6.499 1.00 0.00 C ATOM 1458 CE2 PHE A 92 20.632 -7.253 8.921 1.00 0.00 C ATOM 1459 CZ PHE A 92 20.025 -7.074 7.672 1.00 0.00 C ATOM 0 H PHE A 92 23.826 -10.268 9.608 1.00 0.00 H new ATOM 0 HA PHE A 92 23.745 -10.025 6.656 1.00 0.00 H new ATOM 0 HB2 PHE A 92 24.547 -8.100 8.892 1.00 0.00 H new ATOM 0 HB3 PHE A 92 24.748 -7.745 7.188 1.00 0.00 H new ATOM 0 HD1 PHE A 92 22.660 -7.864 5.669 1.00 0.00 H new ATOM 0 HD2 PHE A 92 22.441 -7.793 9.958 1.00 0.00 H new ATOM 0 HE1 PHE A 92 20.287 -7.153 5.536 1.00 0.00 H new ATOM 0 HE2 PHE A 92 20.068 -7.082 9.826 1.00 0.00 H new ATOM 0 HZ PHE A 92 18.991 -6.767 7.614 1.00 0.00 H new ATOM 1469 N LYS A 93 26.224 -10.199 6.256 1.00 0.00 N ATOM 1470 CA LYS A 93 27.618 -10.558 6.009 1.00 0.00 C ATOM 1471 C LYS A 93 28.519 -9.338 6.154 1.00 0.00 C ATOM 1472 O LYS A 93 28.168 -8.239 5.725 1.00 0.00 O ATOM 1473 CB LYS A 93 27.759 -11.140 4.601 1.00 0.00 C ATOM 1474 CG LYS A 93 27.282 -10.113 3.572 1.00 0.00 C ATOM 1475 CD LYS A 93 27.344 -10.726 2.172 1.00 0.00 C ATOM 1476 CE LYS A 93 26.845 -9.709 1.145 1.00 0.00 C ATOM 1477 NZ LYS A 93 26.899 -10.310 -0.216 1.00 0.00 N ATOM 0 H LYS A 93 25.697 -9.951 5.419 1.00 0.00 H new ATOM 0 HA LYS A 93 27.921 -11.304 6.744 1.00 0.00 H new ATOM 0 HB2 LYS A 93 28.798 -11.407 4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 93 27.174 -12.056 4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 93 26.262 -9.801 3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 93 27.906 -9.220 3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 93 28.367 -11.022 1.938 1.00 0.00 H new ATOM 0 HD3 LYS A 93 26.734 -11.628 2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 93 25.824 -9.409 1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 93 27.459 -8.809 1.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 26.560 -9.618 -0.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 27.879 -10.575 -0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 26.296 -11.157 -0.246 1.00 0.00 H new ATOM 1491 N ASN A 94 29.682 -9.539 6.766 1.00 0.00 N ATOM 1492 CA ASN A 94 30.632 -8.449 6.967 1.00 0.00 C ATOM 1493 C ASN A 94 31.524 -8.290 5.742 1.00 0.00 C ATOM 1494 O ASN A 94 31.581 -9.173 4.886 1.00 0.00 O ATOM 1495 CB ASN A 94 31.496 -8.733 8.197 1.00 0.00 C ATOM 1496 CG ASN A 94 32.299 -10.013 7.991 1.00 0.00 C ATOM 1497 OD1 ASN A 94 32.395 -10.514 6.870 1.00 0.00 O ATOM 1498 ND2 ASN A 94 32.880 -10.581 9.013 1.00 0.00 N ATOM 0 H ASN A 94 29.989 -10.441 7.130 1.00 0.00 H new ATOM 0 HA ASN A 94 30.075 -7.525 7.121 1.00 0.00 H new ATOM 0 HB2 ASN A 94 32.171 -7.896 8.378 1.00 0.00 H new ATOM 0 HB3 ASN A 94 30.864 -8.829 9.080 1.00 0.00 H new ATOM 0 HD21 ASN A 94 33.414 -11.440 8.883 1.00 0.00 H new ATOM 0 HD22 ASN A 94 32.800 -10.165 9.941 1.00 0.00 H new ATOM 1505 N LYS A 95 32.220 -7.161 5.667 1.00 0.00 N ATOM 1506 CA LYS A 95 33.111 -6.896 4.545 1.00 0.00 C ATOM 1507 C LYS A 95 32.345 -6.964 3.227 1.00 0.00 C ATOM 1508 O LYS A 95 32.715 -7.709 2.320 1.00 0.00 O ATOM 1509 CB LYS A 95 34.247 -7.921 4.529 1.00 0.00 C ATOM 1510 CG LYS A 95 34.959 -7.937 5.888 1.00 0.00 C ATOM 1511 CD LYS A 95 35.682 -6.605 6.128 1.00 0.00 C ATOM 1512 CE LYS A 95 36.728 -6.780 7.234 1.00 0.00 C ATOM 1513 NZ LYS A 95 37.921 -7.482 6.681 1.00 0.00 N ATOM 0 H LYS A 95 32.185 -6.419 6.366 1.00 0.00 H new ATOM 0 HA LYS A 95 33.526 -5.895 4.661 1.00 0.00 H new ATOM 0 HB2 LYS A 95 33.851 -8.911 4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 95 34.958 -7.676 3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 95 34.235 -8.114 6.683 1.00 0.00 H new ATOM 0 HG3 LYS A 95 35.675 -8.758 5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 95 36.162 -6.270 5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 95 34.964 -5.836 6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 95 37.017 -5.808 7.633 1.00 0.00 H new ATOM 0 HE3 LYS A 95 36.307 -7.352 8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 38.729 -7.351 7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 37.714 -8.497 6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 38.153 -7.089 5.747 1.00 0.00 H new ATOM 1527 N TRP A 96 31.276 -6.180 3.130 1.00 0.00 N ATOM 1528 CA TRP A 96 30.465 -6.157 1.918 1.00 0.00 C ATOM 1529 C TRP A 96 31.354 -6.104 0.679 1.00 0.00 C ATOM 1530 O TRP A 96 32.110 -5.155 0.557 1.00 0.00 O ATOM 1531 CB TRP A 96 29.538 -4.940 1.937 1.00 0.00 C ATOM 1532 CG TRP A 96 28.759 -4.887 0.663 1.00 0.00 C ATOM 1533 CD1 TRP A 96 27.568 -5.491 0.453 1.00 0.00 C ATOM 1534 CD2 TRP A 96 29.098 -4.208 -0.581 1.00 0.00 C ATOM 1535 NE1 TRP A 96 27.154 -5.226 -0.839 1.00 0.00 N ATOM 1536 CE2 TRP A 96 28.063 -4.439 -1.516 1.00 0.00 C ATOM 1537 CE3 TRP A 96 30.194 -3.423 -0.982 1.00 0.00 C ATOM 1538 CZ2 TRP A 96 28.114 -3.908 -2.806 1.00 0.00 C ATOM 1539 CZ3 TRP A 96 30.247 -2.888 -2.278 1.00 0.00 C ATOM 1540 CH2 TRP A 96 29.210 -3.131 -3.189 1.00 0.00 C ATOM 1541 OXT TRP A 96 31.266 -7.014 -0.129 1.00 0.00 O ATOM 0 H TRP A 96 30.953 -5.557 3.870 1.00 0.00 H new ATOM 0 HA TRP A 96 29.869 -7.069 1.883 1.00 0.00 H new ATOM 0 HB2 TRP A 96 28.860 -4.999 2.788 1.00 0.00 H new ATOM 0 HB3 TRP A 96 30.121 -4.027 2.057 1.00 0.00 H new ATOM 0 HD1 TRP A 96 27.028 -6.084 1.177 1.00 0.00 H new ATOM 0 HE1 TRP A 96 26.283 -5.570 -1.243 1.00 0.00 H new ATOM 0 HE3 TRP A 96 30.999 -3.231 -0.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 27.311 -4.097 -3.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 31.092 -2.285 -2.575 1.00 0.00 H new ATOM 0 HH2 TRP A 96 29.258 -2.718 -4.186 1.00 0.00 H new TER 1552 TRP A 96 HETATM 1553 ZN ZN A 201 -13.345 4.270 11.745 1.00 0.00 ZN HETATM 1554 O HOH A 301 -15.105 5.316 12.548 1.00 0.00 O