USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 773 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 Single : A 6 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 12 ASN : amide:sc= -0.75 K(o=-0.75,f=-3.9!) USER MOD Single : A 15 TYR OH : rot 30:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0476 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.221 K(o=-0.22,f=-1.2) USER MOD Single : A 31 THR OG1 : rot 152:sc= -0.637 USER MOD Single : A 33 SER OG : rot 180:sc= -0.519 USER MOD Single : A 35 SER OG : rot 139:sc= -0.787 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 49 CYS SG : rot 20:sc= 0.135 USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.136) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -6! C(o=-6!,f=-19!) USER MOD Single : A 73 HIS :FLIP no HE2:sc= -2.91 F(o=-6.2,f=-2.9) USER MOD Single : A 76 SER OG : rot -115:sc= 0.46 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot -78:sc= 0.92 USER MOD Single : A 86 SER OG : rot -23:sc= 0.123 USER MOD Single : A 90 THR OG1 : rot -61:sc= 0.256 USER MOD Single : A 96 TYR OH : rot 165:sc= 0 USER MOD Single : A 99 SER OG : rot -170:sc= -2.82! USER MOD ----------------------------------------------------------------- ATOM 62 N GLU A 5 3.702 -8.676 -4.307 1.00 0.00 N ATOM 63 CA GLU A 5 3.762 -7.471 -5.125 1.00 0.00 C ATOM 64 C GLU A 5 2.389 -6.825 -5.236 1.00 0.00 C ATOM 65 O GLU A 5 2.104 -5.820 -4.585 1.00 0.00 O ATOM 66 CB GLU A 5 4.306 -7.802 -6.517 1.00 0.00 C ATOM 67 CG GLU A 5 5.738 -7.341 -6.734 1.00 0.00 C ATOM 68 CD GLU A 5 6.228 -7.604 -8.144 1.00 0.00 C ATOM 69 OE1 GLU A 5 5.380 -7.782 -9.044 1.00 0.00 O ATOM 70 OE2 GLU A 5 7.460 -7.631 -8.349 1.00 0.00 O ATOM 0 HA GLU A 5 4.436 -6.763 -4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.252 -8.879 -6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.666 -7.339 -7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.808 -6.274 -6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.391 -7.850 -6.025 1.00 0.00 H new ATOM 77 N SER A 6 1.546 -7.415 -6.064 1.00 0.00 N ATOM 78 CA SER A 6 0.193 -6.913 -6.274 1.00 0.00 C ATOM 79 C SER A 6 -0.723 -7.338 -5.131 1.00 0.00 C ATOM 80 O SER A 6 -0.387 -8.233 -4.355 1.00 0.00 O ATOM 81 CB SER A 6 -0.361 -7.423 -7.606 1.00 0.00 C ATOM 82 OG SER A 6 -0.162 -8.820 -7.741 1.00 0.00 O ATOM 0 H SER A 6 1.773 -8.248 -6.607 1.00 0.00 H new ATOM 0 HA SER A 6 0.233 -5.824 -6.300 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.425 -7.196 -7.671 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.127 -6.902 -8.430 1.00 0.00 H new ATOM 0 HG SER A 6 -0.526 -9.121 -8.600 1.00 0.00 H new ATOM 88 N ILE A 7 -1.882 -6.693 -5.029 1.00 0.00 N ATOM 89 CA ILE A 7 -2.837 -7.013 -3.975 1.00 0.00 C ATOM 90 C ILE A 7 -4.263 -7.066 -4.516 1.00 0.00 C ATOM 91 O ILE A 7 -4.841 -6.041 -4.877 1.00 0.00 O ATOM 92 CB ILE A 7 -2.768 -5.990 -2.823 1.00 0.00 C ATOM 93 CG1 ILE A 7 -3.704 -6.403 -1.684 1.00 0.00 C ATOM 94 CG2 ILE A 7 -3.119 -4.597 -3.325 1.00 0.00 C ATOM 95 CD1 ILE A 7 -3.223 -7.614 -0.915 1.00 0.00 C ATOM 0 H ILE A 7 -2.181 -5.950 -5.660 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.565 -7.996 -3.592 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.748 -5.970 -2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.816 -5.566 -0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.692 -6.612 -2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.065 -3.888 -2.499 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.414 -4.302 -4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.129 -4.601 -3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.935 -7.849 -0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.138 -8.465 -1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.249 -7.402 -0.475 1.00 0.00 H new ATOM 107 N ARG A 8 -4.825 -8.269 -4.565 1.00 0.00 N ATOM 108 CA ARG A 8 -6.185 -8.459 -5.056 1.00 0.00 C ATOM 109 C ARG A 8 -7.180 -8.484 -3.900 1.00 0.00 C ATOM 110 O ARG A 8 -7.581 -9.552 -3.437 1.00 0.00 O ATOM 111 CB ARG A 8 -6.281 -9.758 -5.859 1.00 0.00 C ATOM 112 CG ARG A 8 -7.211 -9.665 -7.057 1.00 0.00 C ATOM 113 CD ARG A 8 -8.660 -9.888 -6.655 1.00 0.00 C ATOM 114 NE ARG A 8 -9.563 -9.828 -7.802 1.00 0.00 N ATOM 115 CZ ARG A 8 -10.004 -8.694 -8.341 1.00 0.00 C ATOM 116 NH1 ARG A 8 -9.620 -7.523 -7.847 1.00 0.00 N ATOM 117 NH2 ARG A 8 -10.830 -8.729 -9.377 1.00 0.00 N ATOM 0 H ARG A 8 -4.359 -9.127 -4.271 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.433 -7.620 -5.706 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.285 -10.037 -6.203 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.626 -10.557 -5.202 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.108 -8.685 -7.524 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.921 -10.405 -7.803 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.756 -10.859 -6.169 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.953 -9.135 -5.923 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.874 -10.708 -8.214 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.984 -7.489 -7.050 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.961 -6.657 -8.264 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.128 -9.625 -9.762 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.168 -7.859 -9.790 1.00 0.00 H new ATOM 131 N PHE A 9 -7.574 -7.301 -3.436 1.00 0.00 N ATOM 132 CA PHE A 9 -8.523 -7.192 -2.333 1.00 0.00 C ATOM 133 C PHE A 9 -9.951 -7.082 -2.854 1.00 0.00 C ATOM 134 O PHE A 9 -10.338 -6.062 -3.424 1.00 0.00 O ATOM 135 CB PHE A 9 -8.190 -5.981 -1.457 1.00 0.00 C ATOM 136 CG PHE A 9 -7.945 -4.718 -2.235 1.00 0.00 C ATOM 137 CD1 PHE A 9 -8.992 -3.866 -2.548 1.00 0.00 C ATOM 138 CD2 PHE A 9 -6.667 -4.384 -2.652 1.00 0.00 C ATOM 139 CE1 PHE A 9 -8.769 -2.704 -3.262 1.00 0.00 C ATOM 140 CE2 PHE A 9 -6.437 -3.223 -3.367 1.00 0.00 C ATOM 141 CZ PHE A 9 -7.490 -2.382 -3.672 1.00 0.00 C ATOM 0 H PHE A 9 -7.252 -6.407 -3.806 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.444 -8.096 -1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.010 -5.813 -0.759 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.305 -6.207 -0.862 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.994 -4.113 -2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.841 -5.038 -2.416 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.594 -2.048 -3.499 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.436 -2.974 -3.687 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.313 -1.474 -4.230 1.00 0.00 H new ATOM 151 N GLY A 10 -10.732 -8.139 -2.657 1.00 0.00 N ATOM 152 CA GLY A 10 -12.108 -8.139 -3.115 1.00 0.00 C ATOM 153 C GLY A 10 -12.223 -7.868 -4.604 1.00 0.00 C ATOM 154 O GLY A 10 -11.394 -8.336 -5.385 1.00 0.00 O ATOM 0 H GLY A 10 -10.436 -8.995 -2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.564 -9.103 -2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.670 -7.383 -2.567 1.00 0.00 H new ATOM 158 N PRO A 11 -13.245 -7.107 -5.033 1.00 0.00 N ATOM 159 CA PRO A 11 -13.446 -6.783 -6.449 1.00 0.00 C ATOM 160 C PRO A 11 -12.412 -5.788 -6.975 1.00 0.00 C ATOM 161 O PRO A 11 -12.354 -5.519 -8.175 1.00 0.00 O ATOM 162 CB PRO A 11 -14.844 -6.164 -6.472 1.00 0.00 C ATOM 163 CG PRO A 11 -15.022 -5.588 -5.111 1.00 0.00 C ATOM 164 CD PRO A 11 -14.282 -6.503 -4.174 1.00 0.00 C ATOM 0 HA PRO A 11 -13.340 -7.661 -7.087 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.925 -5.396 -7.241 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.606 -6.913 -6.688 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -14.625 -4.574 -5.061 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -16.078 -5.530 -4.847 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.844 -5.955 -3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.941 -7.259 -3.747 1.00 0.00 H new ATOM 172 N ASN A 12 -11.600 -5.242 -6.072 1.00 0.00 N ATOM 173 CA ASN A 12 -10.575 -4.276 -6.453 1.00 0.00 C ATOM 174 C ASN A 12 -9.179 -4.879 -6.325 1.00 0.00 C ATOM 175 O ASN A 12 -8.965 -5.824 -5.565 1.00 0.00 O ATOM 176 CB ASN A 12 -10.680 -3.022 -5.583 1.00 0.00 C ATOM 177 CG ASN A 12 -11.741 -2.060 -6.080 1.00 0.00 C ATOM 178 OD1 ASN A 12 -11.449 -0.908 -6.402 1.00 0.00 O ATOM 179 ND2 ASN A 12 -12.981 -2.528 -6.143 1.00 0.00 N ATOM 0 H ASN A 12 -11.633 -5.452 -5.074 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.739 -4.005 -7.496 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -10.909 -3.313 -4.558 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.715 -2.515 -5.563 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.737 -1.926 -6.468 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.178 -3.490 -5.866 1.00 0.00 H new ATOM 186 N VAL A 13 -8.231 -4.320 -7.071 1.00 0.00 N ATOM 187 CA VAL A 13 -6.852 -4.791 -7.045 1.00 0.00 C ATOM 188 C VAL A 13 -5.886 -3.654 -7.363 1.00 0.00 C ATOM 189 O VAL A 13 -6.016 -2.988 -8.390 1.00 0.00 O ATOM 190 CB VAL A 13 -6.629 -5.942 -8.047 1.00 0.00 C ATOM 191 CG1 VAL A 13 -6.923 -5.482 -9.466 1.00 0.00 C ATOM 192 CG2 VAL A 13 -5.211 -6.483 -7.938 1.00 0.00 C ATOM 0 H VAL A 13 -8.395 -3.537 -7.703 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.659 -5.161 -6.038 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.320 -6.748 -7.800 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.760 -6.309 -10.158 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.959 -5.151 -9.534 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.261 -4.656 -9.725 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.075 -7.294 -8.653 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.500 -5.686 -8.154 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.041 -6.857 -6.929 1.00 0.00 H new ATOM 202 N PHE A 14 -4.921 -3.434 -6.476 1.00 0.00 N ATOM 203 CA PHE A 14 -3.940 -2.372 -6.667 1.00 0.00 C ATOM 204 C PHE A 14 -2.679 -2.907 -7.338 1.00 0.00 C ATOM 205 O PHE A 14 -1.920 -3.669 -6.739 1.00 0.00 O ATOM 206 CB PHE A 14 -3.587 -1.726 -5.324 1.00 0.00 C ATOM 207 CG PHE A 14 -2.499 -0.692 -5.415 1.00 0.00 C ATOM 208 CD1 PHE A 14 -2.688 0.471 -6.144 1.00 0.00 C ATOM 209 CD2 PHE A 14 -1.286 -0.887 -4.773 1.00 0.00 C ATOM 210 CE1 PHE A 14 -1.688 1.422 -6.230 1.00 0.00 C ATOM 211 CE2 PHE A 14 -0.283 0.060 -4.856 1.00 0.00 C ATOM 212 CZ PHE A 14 -0.484 1.216 -5.585 1.00 0.00 C ATOM 0 H PHE A 14 -4.797 -3.975 -5.620 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.381 -1.618 -7.319 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.482 -1.263 -4.908 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.278 -2.505 -4.627 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.627 0.637 -6.651 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.123 -1.789 -4.202 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.848 2.325 -6.801 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.658 -0.104 -4.351 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.299 1.957 -5.651 1.00 0.00 H new ATOM 222 N TYR A 15 -2.459 -2.496 -8.582 1.00 0.00 N ATOM 223 CA TYR A 15 -1.286 -2.927 -9.331 1.00 0.00 C ATOM 224 C TYR A 15 -0.053 -2.147 -8.886 1.00 0.00 C ATOM 225 O TYR A 15 0.084 -0.961 -9.181 1.00 0.00 O ATOM 226 CB TYR A 15 -1.514 -2.741 -10.832 1.00 0.00 C ATOM 227 CG TYR A 15 -2.479 -3.741 -11.428 1.00 0.00 C ATOM 228 CD1 TYR A 15 -2.292 -5.106 -11.249 1.00 0.00 C ATOM 229 CD2 TYR A 15 -3.577 -3.321 -12.169 1.00 0.00 C ATOM 230 CE1 TYR A 15 -3.171 -6.024 -11.792 1.00 0.00 C ATOM 231 CE2 TYR A 15 -4.461 -4.233 -12.714 1.00 0.00 C ATOM 232 CZ TYR A 15 -4.253 -5.583 -12.523 1.00 0.00 C ATOM 233 OH TYR A 15 -5.131 -6.493 -13.065 1.00 0.00 O ATOM 0 H TYR A 15 -3.077 -1.865 -9.092 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.120 -3.986 -9.131 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.891 -1.734 -11.011 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.557 -2.820 -11.349 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.446 -5.456 -10.676 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.742 -2.265 -12.322 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.011 -7.082 -11.644 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.310 -3.890 -13.286 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.162 -7.294 -12.501 1.00 0.00 H new ATOM 243 N VAL A 16 0.836 -2.820 -8.166 1.00 0.00 N ATOM 244 CA VAL A 16 2.054 -2.189 -7.667 1.00 0.00 C ATOM 245 C VAL A 16 2.939 -1.679 -8.803 1.00 0.00 C ATOM 246 O VAL A 16 3.831 -0.860 -8.581 1.00 0.00 O ATOM 247 CB VAL A 16 2.874 -3.156 -6.791 1.00 0.00 C ATOM 248 CG1 VAL A 16 2.303 -3.211 -5.382 1.00 0.00 C ATOM 249 CG2 VAL A 16 2.917 -4.545 -7.412 1.00 0.00 C ATOM 0 H VAL A 16 0.737 -3.803 -7.914 1.00 0.00 H new ATOM 0 HA VAL A 16 1.731 -1.341 -7.063 1.00 0.00 H new ATOM 0 HB VAL A 16 3.896 -2.782 -6.733 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.894 -3.898 -4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.335 -2.216 -4.937 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.270 -3.558 -5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.501 -5.210 -6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.903 -4.933 -7.507 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.378 -4.489 -8.398 1.00 0.00 H new ATOM 259 N LEU A 17 2.698 -2.166 -10.017 1.00 0.00 N ATOM 260 CA LEU A 17 3.490 -1.751 -11.172 1.00 0.00 C ATOM 261 C LEU A 17 2.663 -0.919 -12.152 1.00 0.00 C ATOM 262 O LEU A 17 3.216 -0.201 -12.985 1.00 0.00 O ATOM 263 CB LEU A 17 4.062 -2.977 -11.888 1.00 0.00 C ATOM 264 CG LEU A 17 5.287 -3.607 -11.221 1.00 0.00 C ATOM 265 CD1 LEU A 17 6.361 -2.559 -10.972 1.00 0.00 C ATOM 266 CD2 LEU A 17 4.893 -4.289 -9.920 1.00 0.00 C ATOM 0 H LEU A 17 1.966 -2.844 -10.226 1.00 0.00 H new ATOM 0 HA LEU A 17 4.307 -1.129 -10.806 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.280 -3.732 -11.963 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.328 -2.692 -12.906 1.00 0.00 H new ATOM 0 HG LEU A 17 5.695 -4.360 -11.895 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.223 -3.027 -10.497 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.665 -2.117 -11.921 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.966 -1.781 -10.319 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.776 -4.732 -9.459 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.459 -3.555 -9.241 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.161 -5.070 -10.126 1.00 0.00 H new ATOM 278 N LYS A 18 1.340 -1.023 -12.058 1.00 0.00 N ATOM 279 CA LYS A 18 0.453 -0.281 -12.949 1.00 0.00 C ATOM 280 C LYS A 18 -0.140 0.945 -12.256 1.00 0.00 C ATOM 281 O LYS A 18 -0.411 1.959 -12.898 1.00 0.00 O ATOM 282 CB LYS A 18 -0.669 -1.192 -13.450 1.00 0.00 C ATOM 283 CG LYS A 18 -0.908 -1.097 -14.947 1.00 0.00 C ATOM 284 CD LYS A 18 -1.279 -2.448 -15.534 1.00 0.00 C ATOM 285 CE LYS A 18 -1.439 -2.375 -17.044 1.00 0.00 C ATOM 286 NZ LYS A 18 -2.466 -3.332 -17.542 1.00 0.00 N ATOM 0 H LYS A 18 0.860 -1.611 -11.377 1.00 0.00 H new ATOM 0 HA LYS A 18 1.044 0.066 -13.796 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.429 -2.224 -13.194 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.591 -0.940 -12.927 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.705 -0.381 -15.145 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.011 -0.719 -15.437 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.509 -3.178 -15.284 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.209 -2.798 -15.085 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.719 -1.361 -17.331 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.482 -2.589 -17.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.544 -3.250 -18.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.187 -4.302 -17.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.385 -3.113 -17.107 1.00 0.00 H new ATOM 300 N LEU A 19 -0.344 0.844 -10.946 1.00 0.00 N ATOM 301 CA LEU A 19 -0.911 1.944 -10.172 1.00 0.00 C ATOM 302 C LEU A 19 -2.345 2.229 -10.604 1.00 0.00 C ATOM 303 O LEU A 19 -2.824 3.358 -10.499 1.00 0.00 O ATOM 304 CB LEU A 19 -0.058 3.206 -10.328 1.00 0.00 C ATOM 305 CG LEU A 19 1.419 3.035 -9.971 1.00 0.00 C ATOM 306 CD1 LEU A 19 2.242 4.183 -10.535 1.00 0.00 C ATOM 307 CD2 LEU A 19 1.593 2.941 -8.463 1.00 0.00 C ATOM 0 H LEU A 19 -0.125 0.012 -10.398 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.917 1.649 -9.123 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.130 3.550 -11.360 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.480 3.991 -9.701 1.00 0.00 H new ATOM 0 HG LEU A 19 1.777 2.107 -10.417 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.290 4.044 -10.271 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.141 4.204 -11.620 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.885 5.125 -10.119 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.650 2.820 -8.226 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.219 3.852 -7.996 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.035 2.084 -8.085 1.00 0.00 H new ATOM 319 N THR A 20 -3.026 1.195 -11.089 1.00 0.00 N ATOM 320 CA THR A 20 -4.408 1.330 -11.536 1.00 0.00 C ATOM 321 C THR A 20 -5.296 0.292 -10.859 1.00 0.00 C ATOM 322 O THR A 20 -5.077 -0.911 -10.995 1.00 0.00 O ATOM 323 CB THR A 20 -4.492 1.177 -13.055 1.00 0.00 C ATOM 324 OG1 THR A 20 -3.354 1.743 -13.680 1.00 0.00 O ATOM 325 CG2 THR A 20 -5.718 1.832 -13.654 1.00 0.00 C ATOM 0 H THR A 20 -2.643 0.254 -11.182 1.00 0.00 H new ATOM 0 HA THR A 20 -4.761 2.324 -11.260 1.00 0.00 H new ATOM 0 HB THR A 20 -4.548 0.103 -13.235 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.426 1.633 -14.651 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.717 1.687 -14.734 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.615 1.383 -13.228 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.706 2.899 -13.431 1.00 0.00 H new ATOM 333 N VAL A 21 -6.299 0.766 -10.127 1.00 0.00 N ATOM 334 CA VAL A 21 -7.218 -0.123 -9.426 1.00 0.00 C ATOM 335 C VAL A 21 -8.291 -0.658 -10.368 1.00 0.00 C ATOM 336 O VAL A 21 -9.183 0.077 -10.791 1.00 0.00 O ATOM 337 CB VAL A 21 -7.899 0.588 -8.239 1.00 0.00 C ATOM 338 CG1 VAL A 21 -8.516 -0.429 -7.291 1.00 0.00 C ATOM 339 CG2 VAL A 21 -6.907 1.476 -7.502 1.00 0.00 C ATOM 0 H VAL A 21 -6.496 1.759 -10.004 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.623 -0.954 -9.046 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.696 1.221 -8.630 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.992 0.091 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.261 -1.019 -7.825 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.737 -1.089 -6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.408 1.968 -6.669 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.086 0.868 -7.123 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.515 2.229 -8.186 1.00 0.00 H new ATOM 349 N GLU A 22 -8.198 -1.944 -10.692 1.00 0.00 N ATOM 350 CA GLU A 22 -9.160 -2.579 -11.584 1.00 0.00 C ATOM 351 C GLU A 22 -10.477 -2.844 -10.863 1.00 0.00 C ATOM 352 O GLU A 22 -10.547 -3.684 -9.966 1.00 0.00 O ATOM 353 CB GLU A 22 -8.592 -3.890 -12.133 1.00 0.00 C ATOM 354 CG GLU A 22 -7.926 -3.741 -13.491 1.00 0.00 C ATOM 355 CD GLU A 22 -8.928 -3.666 -14.627 1.00 0.00 C ATOM 356 OE1 GLU A 22 -9.739 -2.716 -14.641 1.00 0.00 O ATOM 357 OE2 GLU A 22 -8.901 -4.557 -15.502 1.00 0.00 O ATOM 0 H GLU A 22 -7.466 -2.566 -10.350 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.351 -1.899 -12.414 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.867 -4.288 -11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.397 -4.621 -12.210 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.312 -2.841 -13.493 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.256 -4.585 -13.657 1.00 0.00 H new ATOM 364 N THR A 23 -11.517 -2.122 -11.263 1.00 0.00 N ATOM 365 CA THR A 23 -12.832 -2.277 -10.657 1.00 0.00 C ATOM 366 C THR A 23 -13.736 -3.140 -11.534 1.00 0.00 C ATOM 367 O THR A 23 -13.430 -3.392 -12.700 1.00 0.00 O ATOM 368 CB THR A 23 -13.476 -0.907 -10.430 1.00 0.00 C ATOM 369 OG1 THR A 23 -12.915 0.060 -11.299 1.00 0.00 O ATOM 370 CG2 THR A 23 -13.316 -0.399 -9.013 1.00 0.00 C ATOM 0 H THR A 23 -11.474 -1.423 -12.005 1.00 0.00 H new ATOM 0 HA THR A 23 -12.707 -2.775 -9.696 1.00 0.00 H new ATOM 0 HB THR A 23 -14.538 -1.049 -10.630 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.340 0.928 -11.140 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.795 0.576 -8.920 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.782 -1.100 -8.320 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.256 -0.307 -8.777 1.00 0.00 H new ATOM 378 N PRO A 24 -14.867 -3.605 -10.980 1.00 0.00 N ATOM 379 CA PRO A 24 -15.819 -4.442 -11.709 1.00 0.00 C ATOM 380 C PRO A 24 -16.686 -3.638 -12.675 1.00 0.00 C ATOM 381 O PRO A 24 -17.430 -4.207 -13.474 1.00 0.00 O ATOM 382 CB PRO A 24 -16.671 -5.042 -10.593 1.00 0.00 C ATOM 383 CG PRO A 24 -16.643 -4.027 -9.506 1.00 0.00 C ATOM 384 CD PRO A 24 -15.303 -3.350 -9.595 1.00 0.00 C ATOM 0 HA PRO A 24 -15.321 -5.182 -12.335 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.690 -5.231 -10.931 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.265 -5.995 -10.255 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.452 -3.306 -9.626 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.777 -4.497 -8.532 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.381 -2.282 -9.391 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.599 -3.762 -8.872 1.00 0.00 H new ATOM 392 N GLU A 25 -16.586 -2.313 -12.601 1.00 0.00 N ATOM 393 CA GLU A 25 -17.361 -1.440 -13.474 1.00 0.00 C ATOM 394 C GLU A 25 -16.454 -0.448 -14.195 1.00 0.00 C ATOM 395 O GLU A 25 -16.868 0.666 -14.518 1.00 0.00 O ATOM 396 CB GLU A 25 -18.420 -0.686 -12.667 1.00 0.00 C ATOM 397 CG GLU A 25 -19.522 -0.083 -13.522 1.00 0.00 C ATOM 398 CD GLU A 25 -20.048 1.223 -12.960 1.00 0.00 C ATOM 399 OE1 GLU A 25 -20.811 1.180 -11.972 1.00 0.00 O ATOM 400 OE2 GLU A 25 -19.699 2.290 -13.509 1.00 0.00 O ATOM 0 H GLU A 25 -15.977 -1.823 -11.946 1.00 0.00 H new ATOM 0 HA GLU A 25 -17.857 -2.061 -14.220 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -18.866 -1.367 -11.942 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -17.935 0.109 -12.101 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -19.143 0.086 -14.530 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -20.343 -0.795 -13.605 1.00 0.00 H new ATOM 407 N GLY A 26 -15.213 -0.859 -14.444 1.00 0.00 N ATOM 408 CA GLY A 26 -14.267 0.006 -15.124 1.00 0.00 C ATOM 409 C GLY A 26 -12.894 -0.012 -14.479 1.00 0.00 C ATOM 410 O GLY A 26 -12.372 -1.076 -14.145 1.00 0.00 O ATOM 0 H GLY A 26 -14.847 -1.776 -14.187 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.180 -0.304 -16.165 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.650 1.026 -15.127 1.00 0.00 H new ATOM 414 N SER A 27 -12.310 1.168 -14.303 1.00 0.00 N ATOM 415 CA SER A 27 -10.990 1.285 -13.694 1.00 0.00 C ATOM 416 C SER A 27 -10.891 2.555 -12.853 1.00 0.00 C ATOM 417 O SER A 27 -11.771 3.414 -12.905 1.00 0.00 O ATOM 418 CB SER A 27 -9.905 1.288 -14.773 1.00 0.00 C ATOM 419 OG SER A 27 -10.219 2.203 -15.808 1.00 0.00 O ATOM 0 H SER A 27 -12.730 2.057 -14.573 1.00 0.00 H new ATOM 0 HA SER A 27 -10.840 0.425 -13.041 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.946 1.552 -14.328 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.798 0.286 -15.189 1.00 0.00 H new ATOM 0 HG SER A 27 -9.510 2.188 -16.484 1.00 0.00 H new ATOM 425 N VAL A 28 -9.815 2.668 -12.080 1.00 0.00 N ATOM 426 CA VAL A 28 -9.606 3.834 -11.229 1.00 0.00 C ATOM 427 C VAL A 28 -8.125 4.186 -11.126 1.00 0.00 C ATOM 428 O VAL A 28 -7.277 3.310 -10.956 1.00 0.00 O ATOM 429 CB VAL A 28 -10.165 3.604 -9.812 1.00 0.00 C ATOM 430 CG1 VAL A 28 -10.128 4.893 -9.007 1.00 0.00 C ATOM 431 CG2 VAL A 28 -11.580 3.049 -9.878 1.00 0.00 C ATOM 0 H VAL A 28 -9.076 1.967 -12.026 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.141 4.662 -11.694 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.535 2.870 -9.309 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.527 4.710 -8.009 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.099 5.243 -8.928 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.732 5.651 -9.506 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.957 2.893 -8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.224 3.756 -10.401 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.574 2.099 -10.413 1.00 0.00 H new ATOM 441 N HIS A 29 -7.821 5.476 -11.229 1.00 0.00 N ATOM 442 CA HIS A 29 -6.443 5.949 -11.146 1.00 0.00 C ATOM 443 C HIS A 29 -6.168 6.576 -9.783 1.00 0.00 C ATOM 444 O HIS A 29 -7.087 6.799 -8.996 1.00 0.00 O ATOM 445 CB HIS A 29 -6.164 6.965 -12.256 1.00 0.00 C ATOM 446 CG HIS A 29 -4.844 6.771 -12.937 1.00 0.00 C ATOM 447 ND1 HIS A 29 -3.853 5.946 -12.445 1.00 0.00 N ATOM 448 CD2 HIS A 29 -4.351 7.304 -14.081 1.00 0.00 C ATOM 449 CE1 HIS A 29 -2.810 5.981 -13.256 1.00 0.00 C ATOM 450 NE2 HIS A 29 -3.087 6.796 -14.256 1.00 0.00 N ATOM 0 H HIS A 29 -8.511 6.214 -11.370 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.780 5.093 -11.273 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.958 6.903 -13.000 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.200 7.969 -11.834 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -4.858 7.999 -14.734 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.888 5.435 -13.123 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.463 7.014 -15.033 1.00 0.00 H new ATOM 459 N LEU A 30 -4.898 6.860 -9.508 1.00 0.00 N ATOM 460 CA LEU A 30 -4.510 7.461 -8.237 1.00 0.00 C ATOM 461 C LEU A 30 -3.085 8.008 -8.300 1.00 0.00 C ATOM 462 O LEU A 30 -2.319 7.671 -9.202 1.00 0.00 O ATOM 463 CB LEU A 30 -4.637 6.433 -7.104 1.00 0.00 C ATOM 464 CG LEU A 30 -3.402 5.558 -6.859 1.00 0.00 C ATOM 465 CD1 LEU A 30 -3.687 4.513 -5.791 1.00 0.00 C ATOM 466 CD2 LEU A 30 -2.953 4.890 -8.148 1.00 0.00 C ATOM 0 H LEU A 30 -4.122 6.684 -10.147 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.183 8.295 -8.036 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.872 6.964 -6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.483 5.782 -7.322 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.596 6.201 -6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.798 3.903 -5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.957 5.010 -4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.511 3.877 -6.115 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.075 4.274 -7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.758 4.263 -8.533 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.703 5.653 -8.885 1.00 0.00 H new ATOM 478 N THR A 31 -2.736 8.849 -7.331 1.00 0.00 N ATOM 479 CA THR A 31 -1.401 9.433 -7.274 1.00 0.00 C ATOM 480 C THR A 31 -0.371 8.368 -6.904 1.00 0.00 C ATOM 481 O THR A 31 -0.506 7.698 -5.881 1.00 0.00 O ATOM 482 CB THR A 31 -1.361 10.573 -6.256 1.00 0.00 C ATOM 483 OG1 THR A 31 -2.631 11.191 -6.144 1.00 0.00 O ATOM 484 CG2 THR A 31 -0.356 11.648 -6.605 1.00 0.00 C ATOM 0 H THR A 31 -3.358 9.140 -6.577 1.00 0.00 H new ATOM 0 HA THR A 31 -1.158 9.832 -8.259 1.00 0.00 H new ATOM 0 HB THR A 31 -1.064 10.111 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.732 11.571 -5.246 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.377 12.427 -5.843 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.642 11.212 -6.650 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.607 12.080 -7.573 1.00 0.00 H new ATOM 492 N PRO A 32 0.671 8.186 -7.734 1.00 0.00 N ATOM 493 CA PRO A 32 1.710 7.184 -7.478 1.00 0.00 C ATOM 494 C PRO A 32 2.587 7.533 -6.284 1.00 0.00 C ATOM 495 O PRO A 32 3.227 6.661 -5.697 1.00 0.00 O ATOM 496 CB PRO A 32 2.534 7.184 -8.768 1.00 0.00 C ATOM 497 CG PRO A 32 2.321 8.538 -9.352 1.00 0.00 C ATOM 498 CD PRO A 32 0.916 8.929 -8.985 1.00 0.00 C ATOM 0 HA PRO A 32 1.279 6.214 -7.231 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.589 7.002 -8.564 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.202 6.402 -9.450 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.042 9.253 -8.954 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.452 8.522 -10.434 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.824 10.005 -8.838 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.205 8.651 -9.763 1.00 0.00 H new ATOM 506 N SER A 33 2.610 8.808 -5.925 1.00 0.00 N ATOM 507 CA SER A 33 3.411 9.260 -4.794 1.00 0.00 C ATOM 508 C SER A 33 2.748 8.875 -3.486 1.00 0.00 C ATOM 509 O SER A 33 3.411 8.456 -2.538 1.00 0.00 O ATOM 510 CB SER A 33 3.629 10.773 -4.856 1.00 0.00 C ATOM 511 OG SER A 33 2.428 11.449 -5.184 1.00 0.00 O ATOM 0 H SER A 33 2.087 9.546 -6.397 1.00 0.00 H new ATOM 0 HA SER A 33 4.383 8.771 -4.847 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.000 11.130 -3.895 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.394 11.003 -5.598 1.00 0.00 H new ATOM 0 HG SER A 33 2.594 12.414 -5.216 1.00 0.00 H new ATOM 517 N GLU A 34 1.434 8.996 -3.452 1.00 0.00 N ATOM 518 CA GLU A 34 0.674 8.635 -2.269 1.00 0.00 C ATOM 519 C GLU A 34 0.446 7.140 -2.261 1.00 0.00 C ATOM 520 O GLU A 34 0.548 6.487 -1.225 1.00 0.00 O ATOM 521 CB GLU A 34 -0.658 9.388 -2.223 1.00 0.00 C ATOM 522 CG GLU A 34 -0.610 10.657 -1.388 1.00 0.00 C ATOM 523 CD GLU A 34 -0.776 11.912 -2.223 1.00 0.00 C ATOM 524 OE1 GLU A 34 -1.571 11.883 -3.186 1.00 0.00 O ATOM 525 OE2 GLU A 34 -0.111 12.923 -1.915 1.00 0.00 O ATOM 0 H GLU A 34 0.871 9.341 -4.229 1.00 0.00 H new ATOM 0 HA GLU A 34 1.240 8.917 -1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.957 9.643 -3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.426 8.727 -1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.396 10.621 -0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.341 10.702 -0.857 1.00 0.00 H new ATOM 532 N SER A 35 0.185 6.597 -3.433 1.00 0.00 N ATOM 533 CA SER A 35 -0.003 5.168 -3.563 1.00 0.00 C ATOM 534 C SER A 35 1.343 4.473 -3.380 1.00 0.00 C ATOM 535 O SER A 35 1.405 3.270 -3.130 1.00 0.00 O ATOM 536 CB SER A 35 -0.623 4.821 -4.919 1.00 0.00 C ATOM 537 OG SER A 35 0.369 4.459 -5.866 1.00 0.00 O ATOM 0 H SER A 35 0.099 7.121 -4.304 1.00 0.00 H new ATOM 0 HA SER A 35 -0.693 4.821 -2.794 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.329 4.000 -4.798 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.188 5.675 -5.291 1.00 0.00 H new ATOM 0 HG SER A 35 0.055 3.695 -6.393 1.00 0.00 H new ATOM 543 N GLY A 36 2.425 5.255 -3.486 1.00 0.00 N ATOM 544 CA GLY A 36 3.751 4.708 -3.309 1.00 0.00 C ATOM 545 C GLY A 36 3.990 4.271 -1.883 1.00 0.00 C ATOM 546 O GLY A 36 4.697 3.294 -1.634 1.00 0.00 O ATOM 0 H GLY A 36 2.397 6.254 -3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.886 3.858 -3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.493 5.455 -3.590 1.00 0.00 H new ATOM 550 N ILE A 37 3.385 4.988 -0.942 1.00 0.00 N ATOM 551 CA ILE A 37 3.529 4.651 0.470 1.00 0.00 C ATOM 552 C ILE A 37 2.743 3.389 0.795 1.00 0.00 C ATOM 553 O ILE A 37 3.118 2.618 1.678 1.00 0.00 O ATOM 554 CB ILE A 37 3.075 5.805 1.394 1.00 0.00 C ATOM 555 CG1 ILE A 37 3.380 5.475 2.863 1.00 0.00 C ATOM 556 CG2 ILE A 37 1.595 6.109 1.202 1.00 0.00 C ATOM 557 CD1 ILE A 37 2.419 4.488 3.497 1.00 0.00 C ATOM 0 H ILE A 37 2.795 5.799 -1.128 1.00 0.00 H new ATOM 0 HA ILE A 37 4.590 4.478 0.653 1.00 0.00 H new ATOM 0 HB ILE A 37 3.637 6.698 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.391 5.073 2.930 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.366 6.399 3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.302 6.924 1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.414 6.399 0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.008 5.222 1.438 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.708 4.313 4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.408 4.894 3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.449 3.547 2.948 1.00 0.00 H new ATOM 569 N LEU A 38 1.662 3.177 0.059 1.00 0.00 N ATOM 570 CA LEU A 38 0.827 1.999 0.249 1.00 0.00 C ATOM 571 C LEU A 38 1.502 0.772 -0.360 1.00 0.00 C ATOM 572 O LEU A 38 1.180 -0.364 -0.014 1.00 0.00 O ATOM 573 CB LEU A 38 -0.567 2.235 -0.362 1.00 0.00 C ATOM 574 CG LEU A 38 -0.929 1.398 -1.600 1.00 0.00 C ATOM 575 CD1 LEU A 38 -1.780 0.199 -1.206 1.00 0.00 C ATOM 576 CD2 LEU A 38 -1.659 2.255 -2.625 1.00 0.00 C ATOM 0 H LEU A 38 1.342 3.806 -0.677 1.00 0.00 H new ATOM 0 HA LEU A 38 0.700 1.816 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.313 2.043 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.648 3.289 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.006 1.031 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.026 -0.381 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.225 -0.427 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.699 0.545 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.908 1.648 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.574 2.650 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.018 3.082 -2.931 1.00 0.00 H new ATOM 588 N LYS A 39 2.442 1.016 -1.270 1.00 0.00 N ATOM 589 CA LYS A 39 3.167 -0.059 -1.929 1.00 0.00 C ATOM 590 C LYS A 39 4.209 -0.658 -0.998 1.00 0.00 C ATOM 591 O LYS A 39 4.451 -1.864 -1.016 1.00 0.00 O ATOM 592 CB LYS A 39 3.834 0.452 -3.207 1.00 0.00 C ATOM 593 CG LYS A 39 4.253 -0.655 -4.160 1.00 0.00 C ATOM 594 CD LYS A 39 5.670 -1.128 -3.876 1.00 0.00 C ATOM 595 CE LYS A 39 6.697 -0.061 -4.226 1.00 0.00 C ATOM 596 NZ LYS A 39 7.594 -0.495 -5.332 1.00 0.00 N ATOM 0 H LYS A 39 2.718 1.952 -1.566 1.00 0.00 H new ATOM 0 HA LYS A 39 2.452 -0.838 -2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.146 1.123 -3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.712 1.040 -2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.563 -1.494 -4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.187 -0.297 -5.187 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.762 -1.391 -2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.874 -2.032 -4.449 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.184 0.856 -4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.294 0.171 -3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.279 0.260 -5.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.103 -1.356 -5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.027 -0.692 -6.182 1.00 0.00 H new ATOM 610 N ARG A 40 4.821 0.191 -0.185 1.00 0.00 N ATOM 611 CA ARG A 40 5.838 -0.262 0.757 1.00 0.00 C ATOM 612 C ARG A 40 5.205 -1.036 1.902 1.00 0.00 C ATOM 613 O ARG A 40 5.754 -2.033 2.372 1.00 0.00 O ATOM 614 CB ARG A 40 6.642 0.924 1.294 1.00 0.00 C ATOM 615 CG ARG A 40 8.000 1.086 0.630 1.00 0.00 C ATOM 616 CD ARG A 40 8.249 2.525 0.206 1.00 0.00 C ATOM 617 NE ARG A 40 7.716 2.802 -1.126 1.00 0.00 N ATOM 618 CZ ARG A 40 8.172 2.235 -2.240 1.00 0.00 C ATOM 619 NH1 ARG A 40 9.170 1.361 -2.188 1.00 0.00 N ATOM 620 NH2 ARG A 40 7.630 2.543 -3.411 1.00 0.00 N ATOM 0 H ARG A 40 4.633 1.193 -0.157 1.00 0.00 H new ATOM 0 HA ARG A 40 6.518 -0.929 0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 40 6.065 1.838 1.152 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.784 0.800 2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.783 0.769 1.319 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.059 0.434 -0.242 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.790 3.200 0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.320 2.726 0.217 1.00 0.00 H new ATOM 0 HE ARG A 40 6.949 3.470 -1.207 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.591 1.121 -1.291 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.515 0.930 -3.045 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.864 3.215 -3.457 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.980 2.108 -4.265 1.00 0.00 H new ATOM 634 N LEU A 41 4.040 -0.584 2.330 1.00 0.00 N ATOM 635 CA LEU A 41 3.318 -1.249 3.406 1.00 0.00 C ATOM 636 C LEU A 41 2.673 -2.530 2.889 1.00 0.00 C ATOM 637 O LEU A 41 2.323 -3.419 3.666 1.00 0.00 O ATOM 638 CB LEU A 41 2.252 -0.322 3.998 1.00 0.00 C ATOM 639 CG LEU A 41 2.776 0.734 4.977 1.00 0.00 C ATOM 640 CD1 LEU A 41 1.619 1.455 5.654 1.00 0.00 C ATOM 641 CD2 LEU A 41 3.690 0.097 6.016 1.00 0.00 C ATOM 0 H LEU A 41 3.572 0.239 1.951 1.00 0.00 H new ATOM 0 HA LEU A 41 4.028 -1.501 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.741 0.186 3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.507 -0.931 4.510 1.00 0.00 H new ATOM 0 HG LEU A 41 3.356 1.465 4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.010 2.201 6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.005 1.946 4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.012 0.734 6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.051 0.864 6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.136 -0.657 6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.538 -0.372 5.516 1.00 0.00 H new ATOM 653 N LEU A 42 2.533 -2.622 1.569 1.00 0.00 N ATOM 654 CA LEU A 42 1.947 -3.798 0.945 1.00 0.00 C ATOM 655 C LEU A 42 2.942 -4.949 0.954 1.00 0.00 C ATOM 656 O LEU A 42 2.558 -6.117 1.023 1.00 0.00 O ATOM 657 CB LEU A 42 1.509 -3.483 -0.488 1.00 0.00 C ATOM 658 CG LEU A 42 0.047 -3.802 -0.803 1.00 0.00 C ATOM 659 CD1 LEU A 42 -0.253 -5.264 -0.516 1.00 0.00 C ATOM 660 CD2 LEU A 42 -0.880 -2.897 -0.004 1.00 0.00 C ATOM 0 H LEU A 42 2.818 -1.895 0.913 1.00 0.00 H new ATOM 0 HA LEU A 42 1.067 -4.092 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.684 -2.424 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.143 -4.041 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.126 -3.619 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.298 -5.473 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.387 -5.895 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.064 -5.474 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.916 -3.138 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.706 -3.048 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.682 -1.856 -0.260 1.00 0.00 H new ATOM 672 N ILE A 43 4.225 -4.611 0.898 1.00 0.00 N ATOM 673 CA ILE A 43 5.276 -5.620 0.917 1.00 0.00 C ATOM 674 C ILE A 43 5.286 -6.353 2.254 1.00 0.00 C ATOM 675 O ILE A 43 5.662 -7.522 2.332 1.00 0.00 O ATOM 676 CB ILE A 43 6.667 -5.005 0.670 1.00 0.00 C ATOM 677 CG1 ILE A 43 6.647 -4.114 -0.573 1.00 0.00 C ATOM 678 CG2 ILE A 43 7.711 -6.102 0.523 1.00 0.00 C ATOM 679 CD1 ILE A 43 6.177 -4.825 -1.822 1.00 0.00 C ATOM 0 H ILE A 43 4.561 -3.650 0.839 1.00 0.00 H new ATOM 0 HA ILE A 43 5.060 -6.321 0.110 1.00 0.00 H new ATOM 0 HB ILE A 43 6.930 -4.388 1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.997 -3.259 -0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.649 -3.722 -0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.689 -5.653 0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.743 -6.699 1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.450 -6.742 -0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.189 -4.131 -2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.840 -5.664 -2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.162 -5.194 -1.671 1.00 0.00 H new ATOM 691 N ASN A 44 4.864 -5.654 3.305 1.00 0.00 N ATOM 692 CA ASN A 44 4.815 -6.234 4.641 1.00 0.00 C ATOM 693 C ASN A 44 3.423 -6.767 4.943 1.00 0.00 C ATOM 694 O ASN A 44 3.262 -7.853 5.500 1.00 0.00 O ATOM 695 CB ASN A 44 5.215 -5.193 5.688 1.00 0.00 C ATOM 696 CG ASN A 44 6.551 -4.545 5.379 1.00 0.00 C ATOM 697 OD1 ASN A 44 7.441 -5.173 4.806 1.00 0.00 O ATOM 698 ND2 ASN A 44 6.698 -3.282 5.761 1.00 0.00 N ATOM 0 H ASN A 44 4.551 -4.684 3.255 1.00 0.00 H new ATOM 0 HA ASN A 44 5.521 -7.063 4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.445 -4.423 5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.263 -5.667 6.668 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.576 -2.794 5.582 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.933 -2.800 6.233 1.00 0.00 H new ATOM 705 N LYS A 45 2.422 -5.989 4.563 1.00 0.00 N ATOM 706 CA LYS A 45 1.026 -6.359 4.774 1.00 0.00 C ATOM 707 C LYS A 45 0.780 -6.797 6.216 1.00 0.00 C ATOM 708 O LYS A 45 0.821 -7.987 6.529 1.00 0.00 O ATOM 709 CB LYS A 45 0.624 -7.479 3.813 1.00 0.00 C ATOM 710 CG LYS A 45 0.076 -6.974 2.487 1.00 0.00 C ATOM 711 CD LYS A 45 -1.298 -7.556 2.190 1.00 0.00 C ATOM 712 CE LYS A 45 -2.400 -6.537 2.433 1.00 0.00 C ATOM 713 NZ LYS A 45 -2.578 -6.246 3.882 1.00 0.00 N ATOM 0 H LYS A 45 2.550 -5.088 4.102 1.00 0.00 H new ATOM 0 HA LYS A 45 0.414 -5.479 4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.491 -8.111 3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.128 -8.106 4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.014 -5.886 2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.765 -7.238 1.684 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.335 -7.893 1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.466 -8.432 2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.164 -5.614 1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.337 -6.910 2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.338 -5.547 4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.828 -7.122 4.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.692 -5.866 4.271 1.00 0.00 H new ATOM 727 N GLY A 46 0.521 -5.828 7.087 1.00 0.00 N ATOM 728 CA GLY A 46 0.269 -6.134 8.483 1.00 0.00 C ATOM 729 C GLY A 46 1.532 -6.495 9.241 1.00 0.00 C ATOM 730 O GLY A 46 1.690 -7.629 9.692 1.00 0.00 O ATOM 0 H GLY A 46 0.481 -4.836 6.851 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.203 -5.275 8.960 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.437 -6.962 8.547 1.00 0.00 H new ATOM 734 N GLN A 47 2.431 -5.527 9.384 1.00 0.00 N ATOM 735 CA GLN A 47 3.684 -5.747 10.095 1.00 0.00 C ATOM 736 C GLN A 47 3.962 -4.605 11.068 1.00 0.00 C ATOM 737 O GLN A 47 3.540 -3.470 10.844 1.00 0.00 O ATOM 738 CB GLN A 47 4.843 -5.883 9.106 1.00 0.00 C ATOM 739 CG GLN A 47 6.117 -6.428 9.734 1.00 0.00 C ATOM 740 CD GLN A 47 6.654 -7.646 9.008 1.00 0.00 C ATOM 741 OE1 GLN A 47 7.022 -7.573 7.836 1.00 0.00 O ATOM 742 NE2 GLN A 47 6.700 -8.777 9.703 1.00 0.00 N ATOM 0 H GLN A 47 2.315 -4.583 9.017 1.00 0.00 H new ATOM 0 HA GLN A 47 3.592 -6.673 10.663 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.539 -6.540 8.291 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.052 -4.907 8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.878 -5.648 9.737 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.922 -6.687 10.775 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.385 -8.793 10.673 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.051 -9.630 9.267 1.00 0.00 H new ATOM 751 N LEU A 48 4.671 -4.912 12.149 1.00 0.00 N ATOM 752 CA LEU A 48 5.000 -3.910 13.155 1.00 0.00 C ATOM 753 C LEU A 48 6.013 -2.906 12.613 1.00 0.00 C ATOM 754 O LEU A 48 7.113 -3.276 12.202 1.00 0.00 O ATOM 755 CB LEU A 48 5.551 -4.582 14.415 1.00 0.00 C ATOM 756 CG LEU A 48 4.973 -4.059 15.732 1.00 0.00 C ATOM 757 CD1 LEU A 48 5.563 -4.818 16.912 1.00 0.00 C ATOM 758 CD2 LEU A 48 5.229 -2.565 15.873 1.00 0.00 C ATOM 0 H LEU A 48 5.028 -5.846 12.350 1.00 0.00 H new ATOM 0 HA LEU A 48 4.086 -3.374 13.410 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.359 -5.653 14.351 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.633 -4.453 14.434 1.00 0.00 H new ATOM 0 HG LEU A 48 3.895 -4.222 15.724 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.141 -4.433 17.840 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.326 -5.878 16.818 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.645 -4.688 16.924 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.811 -2.212 16.815 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.303 -2.377 15.859 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.757 -2.035 15.045 1.00 0.00 H new ATOM 770 N CYS A 49 5.632 -1.634 12.617 1.00 0.00 N ATOM 771 CA CYS A 49 6.501 -0.570 12.128 1.00 0.00 C ATOM 772 C CYS A 49 6.280 0.713 12.922 1.00 0.00 C ATOM 773 O CYS A 49 5.341 0.811 13.710 1.00 0.00 O ATOM 774 CB CYS A 49 6.245 -0.315 10.642 1.00 0.00 C ATOM 775 SG CYS A 49 7.063 -1.493 9.540 1.00 0.00 S ATOM 0 H CYS A 49 4.724 -1.314 12.954 1.00 0.00 H new ATOM 0 HA CYS A 49 7.535 -0.887 12.260 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.171 -0.347 10.458 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.581 0.692 10.394 1.00 0.00 H new ATOM 0 HG CYS A 49 7.376 -2.565 10.206 1.00 0.00 H new ATOM 781 N LEU A 50 7.150 1.695 12.710 1.00 0.00 N ATOM 782 CA LEU A 50 7.046 2.972 13.408 1.00 0.00 C ATOM 783 C LEU A 50 6.638 4.081 12.444 1.00 0.00 C ATOM 784 O LEU A 50 7.032 4.077 11.278 1.00 0.00 O ATOM 785 CB LEU A 50 8.376 3.324 14.076 1.00 0.00 C ATOM 786 CG LEU A 50 8.843 2.340 15.151 1.00 0.00 C ATOM 787 CD1 LEU A 50 7.758 2.136 16.196 1.00 0.00 C ATOM 788 CD2 LEU A 50 9.235 1.012 14.521 1.00 0.00 C ATOM 0 H LEU A 50 7.934 1.631 12.061 1.00 0.00 H new ATOM 0 HA LEU A 50 6.278 2.878 14.176 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.145 3.389 13.306 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.289 4.314 14.524 1.00 0.00 H new ATOM 0 HG LEU A 50 9.719 2.759 15.645 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.108 1.433 16.952 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.524 3.090 16.668 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.863 1.738 15.718 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.565 0.323 15.299 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.376 0.588 14.002 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.046 1.172 13.810 1.00 0.00 H new ATOM 800 N ARG A 51 5.847 5.029 12.936 1.00 0.00 N ATOM 801 CA ARG A 51 5.389 6.140 12.110 1.00 0.00 C ATOM 802 C ARG A 51 6.567 6.943 11.582 1.00 0.00 C ATOM 803 O ARG A 51 6.510 7.508 10.490 1.00 0.00 O ATOM 804 CB ARG A 51 4.446 7.046 12.903 1.00 0.00 C ATOM 805 CG ARG A 51 5.118 7.748 14.074 1.00 0.00 C ATOM 806 CD ARG A 51 4.326 7.577 15.363 1.00 0.00 C ATOM 807 NE ARG A 51 3.975 8.862 15.964 1.00 0.00 N ATOM 808 CZ ARG A 51 2.964 9.623 15.552 1.00 0.00 C ATOM 809 NH1 ARG A 51 2.202 9.235 14.537 1.00 0.00 N ATOM 810 NH2 ARG A 51 2.713 10.776 16.156 1.00 0.00 N ATOM 0 H ARG A 51 5.511 5.050 13.899 1.00 0.00 H new ATOM 0 HA ARG A 51 4.845 5.727 11.261 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.027 7.796 12.232 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.613 6.451 13.276 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.123 7.349 14.209 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.224 8.809 13.850 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.417 7.012 15.158 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.911 6.992 16.073 1.00 0.00 H new ATOM 0 HE ARG A 51 4.539 9.196 16.746 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.390 8.349 14.068 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.429 9.823 14.226 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.295 11.080 16.937 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.938 11.359 15.840 1.00 0.00 H new ATOM 824 N LYS A 52 7.638 6.980 12.359 1.00 0.00 N ATOM 825 CA LYS A 52 8.838 7.703 11.964 1.00 0.00 C ATOM 826 C LYS A 52 9.750 6.814 11.133 1.00 0.00 C ATOM 827 O LYS A 52 10.646 7.297 10.450 1.00 0.00 O ATOM 828 CB LYS A 52 9.583 8.231 13.191 1.00 0.00 C ATOM 829 CG LYS A 52 10.742 9.153 12.848 1.00 0.00 C ATOM 830 CD LYS A 52 10.455 10.590 13.253 1.00 0.00 C ATOM 831 CE LYS A 52 11.507 11.543 12.712 1.00 0.00 C ATOM 832 NZ LYS A 52 12.880 11.157 13.142 1.00 0.00 N ATOM 0 H LYS A 52 7.702 6.518 13.266 1.00 0.00 H new ATOM 0 HA LYS A 52 8.535 8.554 11.354 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.881 8.766 13.830 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.960 7.387 13.768 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.644 8.806 13.351 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.938 9.109 11.777 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.472 10.884 12.884 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.422 10.663 14.340 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.458 11.557 11.623 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.290 12.555 13.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.549 11.910 12.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.895 11.019 14.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.156 10.272 12.670 1.00 0.00 H new ATOM 846 N HIS A 53 9.503 5.513 11.176 1.00 0.00 N ATOM 847 CA HIS A 53 10.285 4.569 10.396 1.00 0.00 C ATOM 848 C HIS A 53 9.628 4.366 9.040 1.00 0.00 C ATOM 849 O HIS A 53 10.288 4.017 8.061 1.00 0.00 O ATOM 850 CB HIS A 53 10.411 3.240 11.138 1.00 0.00 C ATOM 851 CG HIS A 53 11.072 2.160 10.337 1.00 0.00 C ATOM 852 ND1 HIS A 53 12.400 2.201 9.970 1.00 0.00 N ATOM 853 CD2 HIS A 53 10.580 1.003 9.832 1.00 0.00 C ATOM 854 CE1 HIS A 53 12.696 1.119 9.272 1.00 0.00 C ATOM 855 NE2 HIS A 53 11.609 0.376 9.175 1.00 0.00 N ATOM 0 H HIS A 53 8.768 5.089 11.742 1.00 0.00 H new ATOM 0 HA HIS A 53 11.288 4.969 10.248 1.00 0.00 H new ATOM 0 HB2 HIS A 53 10.979 3.399 12.055 1.00 0.00 H new ATOM 0 HB3 HIS A 53 9.417 2.904 11.433 1.00 0.00 H new ATOM 0 HD2 HIS A 53 9.567 0.642 9.928 1.00 0.00 H new ATOM 0 HE1 HIS A 53 13.663 0.883 8.852 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.544 -0.519 8.690 1.00 0.00 H new ATOM 864 N LEU A 54 8.322 4.603 8.991 1.00 0.00 N ATOM 865 CA LEU A 54 7.574 4.465 7.756 1.00 0.00 C ATOM 866 C LEU A 54 7.944 5.578 6.790 1.00 0.00 C ATOM 867 O LEU A 54 7.829 5.420 5.575 1.00 0.00 O ATOM 868 CB LEU A 54 6.069 4.481 8.035 1.00 0.00 C ATOM 869 CG LEU A 54 5.245 3.503 7.196 1.00 0.00 C ATOM 870 CD1 LEU A 54 4.103 2.924 8.018 1.00 0.00 C ATOM 871 CD2 LEU A 54 4.712 4.192 5.948 1.00 0.00 C ATOM 0 H LEU A 54 7.763 4.891 9.794 1.00 0.00 H new ATOM 0 HA LEU A 54 7.830 3.508 7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.908 4.257 9.089 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.694 5.490 7.863 1.00 0.00 H new ATOM 0 HG LEU A 54 5.893 2.683 6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.528 2.231 7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.508 2.395 8.881 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.454 3.731 8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.128 3.482 5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.079 5.031 6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.547 4.557 5.349 1.00 0.00 H new ATOM 883 N LEU A 55 8.398 6.704 7.332 1.00 0.00 N ATOM 884 CA LEU A 55 8.790 7.825 6.493 1.00 0.00 C ATOM 885 C LEU A 55 10.106 7.531 5.778 1.00 0.00 C ATOM 886 O LEU A 55 10.472 8.225 4.831 1.00 0.00 O ATOM 887 CB LEU A 55 8.848 9.132 7.315 1.00 0.00 C ATOM 888 CG LEU A 55 10.177 9.520 8.006 1.00 0.00 C ATOM 889 CD1 LEU A 55 9.891 10.103 9.380 1.00 0.00 C ATOM 890 CD2 LEU A 55 11.140 8.353 8.147 1.00 0.00 C ATOM 0 H LEU A 55 8.502 6.861 8.334 1.00 0.00 H new ATOM 0 HA LEU A 55 8.032 7.967 5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.569 9.951 6.652 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.080 9.071 8.087 1.00 0.00 H new ATOM 0 HG LEU A 55 10.658 10.259 7.365 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.830 10.375 9.863 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.266 10.990 9.276 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.371 9.363 9.988 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.052 8.691 8.639 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.675 7.568 8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.384 7.962 7.159 1.00 0.00 H new ATOM 902 N GLU A 56 10.811 6.491 6.233 1.00 0.00 N ATOM 903 CA GLU A 56 12.078 6.108 5.626 1.00 0.00 C ATOM 904 C GLU A 56 11.839 5.336 4.337 1.00 0.00 C ATOM 905 O GLU A 56 12.680 5.329 3.438 1.00 0.00 O ATOM 906 CB GLU A 56 12.905 5.266 6.599 1.00 0.00 C ATOM 907 CG GLU A 56 13.902 6.079 7.409 1.00 0.00 C ATOM 908 CD GLU A 56 15.330 5.601 7.230 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.635 5.031 6.161 1.00 0.00 O ATOM 910 OE2 GLU A 56 16.143 5.798 8.157 1.00 0.00 O ATOM 0 H GLU A 56 10.523 5.905 7.016 1.00 0.00 H new ATOM 0 HA GLU A 56 12.634 7.016 5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.231 4.748 7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.442 4.501 6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.834 7.126 7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.635 6.026 8.465 1.00 0.00 H new ATOM 917 N GLU A 57 10.682 4.691 4.251 1.00 0.00 N ATOM 918 CA GLU A 57 10.328 3.922 3.067 1.00 0.00 C ATOM 919 C GLU A 57 10.108 4.844 1.888 1.00 0.00 C ATOM 920 O GLU A 57 10.595 4.590 0.786 1.00 0.00 O ATOM 921 CB GLU A 57 9.078 3.076 3.325 1.00 0.00 C ATOM 922 CG GLU A 57 9.033 2.458 4.714 1.00 0.00 C ATOM 923 CD GLU A 57 8.775 0.964 4.681 1.00 0.00 C ATOM 924 OE1 GLU A 57 7.598 0.568 4.556 1.00 0.00 O ATOM 925 OE2 GLU A 57 9.752 0.192 4.780 1.00 0.00 O ATOM 0 H GLU A 57 9.975 4.686 4.986 1.00 0.00 H new ATOM 0 HA GLU A 57 11.154 3.249 2.834 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.194 3.698 3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.029 2.281 2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.978 2.648 5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.252 2.945 5.299 1.00 0.00 H new ATOM 932 N ILE A 58 9.406 5.933 2.132 1.00 0.00 N ATOM 933 CA ILE A 58 9.165 6.911 1.087 1.00 0.00 C ATOM 934 C ILE A 58 10.421 7.744 0.885 1.00 0.00 C ATOM 935 O ILE A 58 10.647 8.300 -0.186 1.00 0.00 O ATOM 936 CB ILE A 58 7.965 7.838 1.383 1.00 0.00 C ATOM 937 CG1 ILE A 58 7.005 7.191 2.387 1.00 0.00 C ATOM 938 CG2 ILE A 58 7.237 8.161 0.085 1.00 0.00 C ATOM 939 CD1 ILE A 58 5.673 7.902 2.501 1.00 0.00 C ATOM 0 H ILE A 58 8.995 6.163 3.037 1.00 0.00 H new ATOM 0 HA ILE A 58 8.914 6.359 0.181 1.00 0.00 H new ATOM 0 HB ILE A 58 8.339 8.761 1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.830 6.156 2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.480 7.169 3.368 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.391 8.815 0.295 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.921 8.662 -0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.878 7.238 -0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.047 7.387 3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.836 8.930 2.825 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.176 7.901 1.531 1.00 0.00 H new ATOM 951 N LYS A 59 11.257 7.794 1.921 1.00 0.00 N ATOM 952 CA LYS A 59 12.513 8.522 1.848 1.00 0.00 C ATOM 953 C LYS A 59 13.429 7.844 0.839 1.00 0.00 C ATOM 954 O LYS A 59 14.202 8.504 0.143 1.00 0.00 O ATOM 955 CB LYS A 59 13.189 8.581 3.220 1.00 0.00 C ATOM 956 CG LYS A 59 14.044 9.822 3.423 1.00 0.00 C ATOM 957 CD LYS A 59 15.308 9.508 4.208 1.00 0.00 C ATOM 958 CE LYS A 59 15.738 10.686 5.068 1.00 0.00 C ATOM 959 NZ LYS A 59 16.737 10.288 6.097 1.00 0.00 N ATOM 0 H LYS A 59 11.084 7.339 2.817 1.00 0.00 H new ATOM 0 HA LYS A 59 12.311 9.544 1.528 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.423 8.546 3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.812 7.696 3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.312 10.243 2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.466 10.581 3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.137 8.637 4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.111 9.248 3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.162 11.464 4.432 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.864 11.116 5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.004 11.120 6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.324 9.564 6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.582 9.902 5.629 1.00 0.00 H new ATOM 973 N ASN A 60 13.321 6.517 0.750 1.00 0.00 N ATOM 974 CA ASN A 60 14.120 5.749 -0.188 1.00 0.00 C ATOM 975 C ASN A 60 13.361 5.570 -1.500 1.00 0.00 C ATOM 976 O ASN A 60 13.376 4.496 -2.101 1.00 0.00 O ATOM 977 CB ASN A 60 14.480 4.384 0.403 1.00 0.00 C ATOM 978 CG ASN A 60 15.855 3.912 -0.027 1.00 0.00 C ATOM 979 OD1 ASN A 60 16.040 3.442 -1.150 1.00 0.00 O ATOM 980 ND2 ASN A 60 16.830 4.034 0.867 1.00 0.00 N ATOM 0 H ASN A 60 12.686 5.958 1.319 1.00 0.00 H new ATOM 0 HA ASN A 60 15.043 6.295 -0.384 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.442 4.441 1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.735 3.650 0.096 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.776 3.733 0.634 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.632 4.429 1.786 1.00 0.00 H new ATOM 987 N HIS A 61 12.688 6.635 -1.931 1.00 0.00 N ATOM 988 CA HIS A 61 11.909 6.614 -3.159 1.00 0.00 C ATOM 989 C HIS A 61 11.538 8.035 -3.577 1.00 0.00 C ATOM 990 O HIS A 61 11.770 8.444 -4.715 1.00 0.00 O ATOM 991 CB HIS A 61 10.642 5.779 -2.961 1.00 0.00 C ATOM 992 CG HIS A 61 9.869 5.555 -4.223 1.00 0.00 C ATOM 993 ND1 HIS A 61 10.087 4.482 -5.061 1.00 0.00 N ATOM 994 CD2 HIS A 61 8.872 6.276 -4.790 1.00 0.00 C ATOM 995 CE1 HIS A 61 9.261 4.553 -6.089 1.00 0.00 C ATOM 996 NE2 HIS A 61 8.512 5.631 -5.948 1.00 0.00 N ATOM 0 H HIS A 61 12.669 7.529 -1.440 1.00 0.00 H new ATOM 0 HA HIS A 61 12.512 6.164 -3.948 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.916 4.813 -2.536 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.999 6.276 -2.234 1.00 0.00 H new ATOM 0 HD2 HIS A 61 8.441 7.188 -4.404 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.207 3.849 -6.906 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.784 5.936 -6.594 1.00 0.00 H new ATOM 1005 N ALA A 62 10.966 8.782 -2.638 1.00 0.00 N ATOM 1006 CA ALA A 62 10.561 10.163 -2.878 1.00 0.00 C ATOM 1007 C ALA A 62 9.931 10.763 -1.626 1.00 0.00 C ATOM 1008 O ALA A 62 8.718 10.683 -1.433 1.00 0.00 O ATOM 1009 CB ALA A 62 9.587 10.246 -4.044 1.00 0.00 C ATOM 0 H ALA A 62 10.771 8.449 -1.694 1.00 0.00 H new ATOM 0 HA ALA A 62 11.453 10.736 -3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.299 11.285 -4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.064 9.858 -4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.700 9.654 -3.820 1.00 0.00 H new ATOM 1015 N LYS A 63 10.760 11.362 -0.777 1.00 0.00 N ATOM 1016 CA LYS A 63 10.279 11.975 0.457 1.00 0.00 C ATOM 1017 C LYS A 63 9.452 13.221 0.155 1.00 0.00 C ATOM 1018 O LYS A 63 9.842 14.337 0.499 1.00 0.00 O ATOM 1019 CB LYS A 63 11.456 12.336 1.366 1.00 0.00 C ATOM 1020 CG LYS A 63 12.540 13.143 0.668 1.00 0.00 C ATOM 1021 CD LYS A 63 13.910 12.508 0.843 1.00 0.00 C ATOM 1022 CE LYS A 63 15.022 13.460 0.430 1.00 0.00 C ATOM 1023 NZ LYS A 63 16.369 12.909 0.746 1.00 0.00 N ATOM 0 H LYS A 63 11.767 11.436 -0.920 1.00 0.00 H new ATOM 0 HA LYS A 63 9.644 11.253 0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.084 12.904 2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.894 11.419 1.760 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.308 13.223 -0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.554 14.157 1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.047 12.217 1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.969 11.597 0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.952 13.658 -0.640 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.891 14.414 0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.100 13.587 0.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.445 12.744 1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.504 12.011 0.239 1.00 0.00 H new ATOM 1092 N ARG A 68 4.525 17.190 0.835 1.00 0.00 N ATOM 1093 CA ARG A 68 3.538 16.162 1.148 1.00 0.00 C ATOM 1094 C ARG A 68 4.163 15.036 1.967 1.00 0.00 C ATOM 1095 O ARG A 68 4.115 13.870 1.573 1.00 0.00 O ATOM 1096 CB ARG A 68 2.930 15.599 -0.139 1.00 0.00 C ATOM 1097 CG ARG A 68 2.030 16.584 -0.867 1.00 0.00 C ATOM 1098 CD ARG A 68 1.252 15.909 -1.983 1.00 0.00 C ATOM 1099 NE ARG A 68 0.631 16.880 -2.881 1.00 0.00 N ATOM 1100 CZ ARG A 68 -0.255 16.560 -3.821 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -0.627 15.297 -3.990 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -0.770 17.506 -4.595 1.00 0.00 N ATOM 0 HA ARG A 68 2.749 16.622 1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.735 15.292 -0.807 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.356 14.704 0.101 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.335 17.035 -0.159 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.633 17.392 -1.280 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.921 15.264 -2.553 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.482 15.269 -1.553 1.00 0.00 H new ATOM 0 HE ARG A 68 0.892 17.861 -2.782 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.233 14.566 -3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.306 15.058 -4.712 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.487 18.478 -4.470 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.449 17.262 -5.316 1.00 0.00 H new ATOM 1116 N ASN A 69 4.761 15.397 3.103 1.00 0.00 N ATOM 1117 CA ASN A 69 5.411 14.425 3.986 1.00 0.00 C ATOM 1118 C ASN A 69 4.607 13.130 4.089 1.00 0.00 C ATOM 1119 O ASN A 69 3.417 13.097 3.777 1.00 0.00 O ATOM 1120 CB ASN A 69 5.606 15.026 5.379 1.00 0.00 C ATOM 1121 CG ASN A 69 4.303 15.499 5.993 1.00 0.00 C ATOM 1122 OD1 ASN A 69 3.455 14.693 6.374 1.00 0.00 O ATOM 1123 ND2 ASN A 69 4.139 16.813 6.091 1.00 0.00 N ATOM 0 H ASN A 69 4.809 16.360 3.435 1.00 0.00 H new ATOM 0 HA ASN A 69 6.382 14.185 3.553 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.063 14.282 6.032 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.300 15.864 5.316 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.282 17.191 6.496 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.870 17.444 5.762 1.00 0.00 H new ATOM 1130 N VAL A 70 5.273 12.061 4.522 1.00 0.00 N ATOM 1131 CA VAL A 70 4.632 10.756 4.657 1.00 0.00 C ATOM 1132 C VAL A 70 3.307 10.842 5.409 1.00 0.00 C ATOM 1133 O VAL A 70 2.435 9.993 5.239 1.00 0.00 O ATOM 1134 CB VAL A 70 5.558 9.743 5.363 1.00 0.00 C ATOM 1135 CG1 VAL A 70 5.858 10.180 6.789 1.00 0.00 C ATOM 1136 CG2 VAL A 70 4.945 8.351 5.346 1.00 0.00 C ATOM 0 H VAL A 70 6.258 12.074 4.786 1.00 0.00 H new ATOM 0 HA VAL A 70 4.430 10.409 3.644 1.00 0.00 H new ATOM 0 HB VAL A 70 6.500 9.710 4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.512 9.449 7.264 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.350 11.152 6.776 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.927 10.252 7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.614 7.653 5.849 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.985 8.370 5.862 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.796 8.032 4.315 1.00 0.00 H new ATOM 1146 N ASP A 71 3.159 11.868 6.235 1.00 0.00 N ATOM 1147 CA ASP A 71 1.931 12.051 7.001 1.00 0.00 C ATOM 1148 C ASP A 71 0.851 12.684 6.141 1.00 0.00 C ATOM 1149 O ASP A 71 -0.319 12.305 6.211 1.00 0.00 O ATOM 1150 CB ASP A 71 2.192 12.905 8.244 1.00 0.00 C ATOM 1151 CG ASP A 71 2.146 12.093 9.523 1.00 0.00 C ATOM 1152 OD1 ASP A 71 1.344 11.138 9.591 1.00 0.00 O ATOM 1153 OD2 ASP A 71 2.913 12.411 10.456 1.00 0.00 O ATOM 0 H ASP A 71 3.869 12.584 6.393 1.00 0.00 H new ATOM 0 HA ASP A 71 1.583 11.070 7.324 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.168 13.383 8.155 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.450 13.702 8.296 1.00 0.00 H new ATOM 1158 N VAL A 72 1.254 13.634 5.318 1.00 0.00 N ATOM 1159 CA VAL A 72 0.325 14.308 4.424 1.00 0.00 C ATOM 1160 C VAL A 72 -0.033 13.402 3.251 1.00 0.00 C ATOM 1161 O VAL A 72 -1.038 13.616 2.572 1.00 0.00 O ATOM 1162 CB VAL A 72 0.904 15.633 3.890 1.00 0.00 C ATOM 1163 CG1 VAL A 72 -0.126 16.364 3.041 1.00 0.00 C ATOM 1164 CG2 VAL A 72 1.374 16.510 5.039 1.00 0.00 C ATOM 0 H VAL A 72 2.219 13.958 5.248 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.572 14.536 5.001 1.00 0.00 H new ATOM 0 HB VAL A 72 1.764 15.404 3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.302 17.297 2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.411 15.738 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.007 16.582 3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.780 17.441 4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.533 16.731 5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.147 15.988 5.603 1.00 0.00 H new ATOM 1174 N HIS A 73 0.792 12.383 3.025 1.00 0.00 N ATOM 1175 CA HIS A 73 0.559 11.438 1.945 1.00 0.00 C ATOM 1176 C HIS A 73 -0.505 10.423 2.340 1.00 0.00 C ATOM 1177 O HIS A 73 -1.205 9.881 1.485 1.00 0.00 O ATOM 1178 CB HIS A 73 1.858 10.719 1.571 1.00 0.00 C ATOM 1179 CG HIS A 73 2.493 11.241 0.320 1.00 0.00 C ATOM 1180 ND1 HIS A 73 2.193 12.318 -0.443 1.00 0.00 N flip ATOM 1181 CD2 HIS A 73 3.575 10.636 -0.284 1.00 0.00 C flip ATOM 1182 CE1 HIS A 73 3.090 12.345 -1.482 1.00 0.00 C flip ATOM 1183 NE2 HIS A 73 3.914 11.319 -1.363 1.00 0.00 N flip ATOM 0 H HIS A 73 1.628 12.193 3.578 1.00 0.00 H new ATOM 0 HA HIS A 73 0.204 11.994 1.077 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.566 10.813 2.394 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.652 9.656 1.448 1.00 0.00 H new ATOM 0 HD1 HIS A 73 1.440 12.986 -0.277 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.068 9.743 0.070 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.118 13.085 -2.269 1.00 0.00 H new ATOM 1192 N ILE A 74 -0.622 10.170 3.638 1.00 0.00 N ATOM 1193 CA ILE A 74 -1.606 9.218 4.140 1.00 0.00 C ATOM 1194 C ILE A 74 -3.012 9.804 4.087 1.00 0.00 C ATOM 1195 O ILE A 74 -3.994 9.073 3.955 1.00 0.00 O ATOM 1196 CB ILE A 74 -1.283 8.778 5.585 1.00 0.00 C ATOM 1197 CG1 ILE A 74 0.028 7.989 5.617 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -2.420 7.947 6.167 1.00 0.00 C ATOM 1199 CD1 ILE A 74 -0.052 6.649 4.918 1.00 0.00 C ATOM 0 H ILE A 74 -0.050 10.609 4.360 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.561 8.342 3.492 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.169 9.672 6.198 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.812 8.586 5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.321 7.831 6.655 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.169 7.649 7.185 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.335 8.539 6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.571 7.057 5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.914 6.147 4.981 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.813 6.033 5.398 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.314 6.800 3.871 1.00 0.00 H new ATOM 1211 N ALA A 75 -3.103 11.121 4.193 1.00 0.00 N ATOM 1212 CA ALA A 75 -4.390 11.796 4.158 1.00 0.00 C ATOM 1213 C ALA A 75 -4.917 11.902 2.738 1.00 0.00 C ATOM 1214 O ALA A 75 -6.118 11.784 2.499 1.00 0.00 O ATOM 1215 CB ALA A 75 -4.294 13.171 4.801 1.00 0.00 C ATOM 0 H ALA A 75 -2.302 11.742 4.304 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.097 11.197 4.732 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.268 13.659 4.764 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.980 13.066 5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.565 13.775 4.261 1.00 0.00 H new ATOM 1221 N SER A 76 -4.010 12.105 1.798 1.00 0.00 N ATOM 1222 CA SER A 76 -4.387 12.204 0.396 1.00 0.00 C ATOM 1223 C SER A 76 -4.641 10.822 -0.169 1.00 0.00 C ATOM 1224 O SER A 76 -5.450 10.652 -1.081 1.00 0.00 O ATOM 1225 CB SER A 76 -3.304 12.922 -0.411 1.00 0.00 C ATOM 1226 OG SER A 76 -3.691 13.072 -1.766 1.00 0.00 O ATOM 0 H SER A 76 -3.011 12.204 1.978 1.00 0.00 H new ATOM 0 HA SER A 76 -5.303 12.790 0.324 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.111 13.902 0.026 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.372 12.359 -0.356 1.00 0.00 H new ATOM 0 HG SER A 76 -3.091 12.548 -2.337 1.00 0.00 H new ATOM 1232 N LEU A 77 -3.970 9.831 0.397 1.00 0.00 N ATOM 1233 CA LEU A 77 -4.157 8.464 -0.039 1.00 0.00 C ATOM 1234 C LEU A 77 -5.558 8.015 0.322 1.00 0.00 C ATOM 1235 O LEU A 77 -6.201 7.277 -0.422 1.00 0.00 O ATOM 1236 CB LEU A 77 -3.120 7.530 0.598 1.00 0.00 C ATOM 1237 CG LEU A 77 -2.264 6.709 -0.379 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -1.915 5.360 0.229 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -2.967 6.514 -1.718 1.00 0.00 C ATOM 0 H LEU A 77 -3.297 9.950 1.154 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.022 8.419 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.454 8.129 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.641 6.840 1.262 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.347 7.268 -0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.309 4.790 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.355 5.511 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.831 4.811 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.330 5.929 -2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.909 5.988 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.166 7.486 -2.170 1.00 0.00 H new ATOM 1251 N ARG A 78 -6.034 8.490 1.467 1.00 0.00 N ATOM 1252 CA ARG A 78 -7.373 8.157 1.928 1.00 0.00 C ATOM 1253 C ARG A 78 -8.378 8.368 0.808 1.00 0.00 C ATOM 1254 O ARG A 78 -9.384 7.664 0.716 1.00 0.00 O ATOM 1255 CB ARG A 78 -7.751 9.008 3.143 1.00 0.00 C ATOM 1256 CG ARG A 78 -9.133 8.699 3.695 1.00 0.00 C ATOM 1257 CD ARG A 78 -9.363 9.380 5.034 1.00 0.00 C ATOM 1258 NE ARG A 78 -10.705 9.127 5.553 1.00 0.00 N ATOM 1259 CZ ARG A 78 -11.126 9.533 6.749 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -10.314 10.211 7.551 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -12.362 9.260 7.144 1.00 0.00 N ATOM 0 H ARG A 78 -5.512 9.106 2.091 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.387 7.108 2.224 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.012 8.853 3.929 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.706 10.061 2.867 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.891 9.027 2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.248 7.621 3.809 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.624 9.026 5.753 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.213 10.454 4.925 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.358 8.609 4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.362 10.423 7.252 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.642 10.520 8.466 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.990 8.739 6.532 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.685 9.571 8.060 1.00 0.00 H new ATOM 1275 N LYS A 79 -8.092 9.342 -0.046 1.00 0.00 N ATOM 1276 CA LYS A 79 -8.967 9.646 -1.171 1.00 0.00 C ATOM 1277 C LYS A 79 -8.574 8.858 -2.415 1.00 0.00 C ATOM 1278 O LYS A 79 -9.401 8.618 -3.295 1.00 0.00 O ATOM 1279 CB LYS A 79 -8.954 11.146 -1.470 1.00 0.00 C ATOM 1280 CG LYS A 79 -10.242 11.652 -2.100 1.00 0.00 C ATOM 1281 CD LYS A 79 -10.576 13.059 -1.631 1.00 0.00 C ATOM 1282 CE LYS A 79 -10.188 14.100 -2.669 1.00 0.00 C ATOM 1283 NZ LYS A 79 -10.344 15.488 -2.151 1.00 0.00 N ATOM 0 H LYS A 79 -7.264 9.934 0.018 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.978 9.349 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.774 11.691 -0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.121 11.368 -2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.145 11.642 -3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.061 10.979 -1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.644 13.131 -1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.056 13.265 -0.696 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.154 13.941 -2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.805 13.973 -3.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.069 16.167 -2.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.336 15.649 -1.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.736 15.618 -1.318 1.00 0.00 H new ATOM 1297 N LYS A 80 -7.311 8.467 -2.489 1.00 0.00 N ATOM 1298 CA LYS A 80 -6.811 7.717 -3.629 1.00 0.00 C ATOM 1299 C LYS A 80 -7.057 6.225 -3.465 1.00 0.00 C ATOM 1300 O LYS A 80 -7.699 5.590 -4.301 1.00 0.00 O ATOM 1301 CB LYS A 80 -5.318 7.984 -3.824 1.00 0.00 C ATOM 1302 CG LYS A 80 -5.022 9.141 -4.764 1.00 0.00 C ATOM 1303 CD LYS A 80 -5.729 10.414 -4.324 1.00 0.00 C ATOM 1304 CE LYS A 80 -5.827 11.419 -5.461 1.00 0.00 C ATOM 1305 NZ LYS A 80 -6.636 12.610 -5.081 1.00 0.00 N ATOM 0 H LYS A 80 -6.613 8.658 -1.771 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.355 8.052 -4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.865 8.190 -2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.844 7.082 -4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.947 9.315 -4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.337 8.880 -5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.729 10.170 -3.965 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.190 10.860 -3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.826 11.738 -5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.274 10.939 -6.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.679 13.271 -5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.599 12.309 -4.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.196 13.083 -4.266 1.00 0.00 H new ATOM 1319 N LEU A 81 -6.525 5.677 -2.390 1.00 0.00 N ATOM 1320 CA LEU A 81 -6.655 4.262 -2.098 1.00 0.00 C ATOM 1321 C LEU A 81 -7.911 3.971 -1.278 1.00 0.00 C ATOM 1322 O LEU A 81 -8.477 2.881 -1.362 1.00 0.00 O ATOM 1323 CB LEU A 81 -5.390 3.774 -1.381 1.00 0.00 C ATOM 1324 CG LEU A 81 -5.452 3.683 0.151 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -4.410 2.700 0.661 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -5.236 5.053 0.771 1.00 0.00 C ATOM 0 H LEU A 81 -5.991 6.199 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.763 3.717 -3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.139 2.787 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.570 4.440 -1.649 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.440 3.325 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.464 2.644 1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.602 1.714 0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.417 3.036 0.364 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.283 4.972 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.258 5.435 0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.012 5.736 0.424 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.347 4.950 -0.492 1.00 0.00 N ATOM 1339 CA GLY A 82 -9.537 4.770 0.319 1.00 0.00 C ATOM 1340 C GLY A 82 -9.223 4.566 1.789 1.00 0.00 C ATOM 1341 O GLY A 82 -8.201 5.040 2.286 1.00 0.00 O ATOM 0 H GLY A 82 -7.899 5.862 -0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.182 5.642 0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.096 3.911 -0.051 1.00 0.00 H new ATOM 1345 N ALA A 83 -10.110 3.861 2.484 1.00 0.00 N ATOM 1346 CA ALA A 83 -9.933 3.594 3.907 1.00 0.00 C ATOM 1347 C ALA A 83 -8.673 2.776 4.173 1.00 0.00 C ATOM 1348 O ALA A 83 -8.176 2.735 5.298 1.00 0.00 O ATOM 1349 CB ALA A 83 -11.156 2.880 4.462 1.00 0.00 C ATOM 0 H ALA A 83 -10.960 3.464 2.084 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.817 4.551 4.415 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.013 2.686 5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.037 3.506 4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.296 1.935 3.936 1.00 0.00 H new ATOM 1355 N TYR A 84 -8.155 2.131 3.132 1.00 0.00 N ATOM 1356 CA TYR A 84 -6.950 1.322 3.259 1.00 0.00 C ATOM 1357 C TYR A 84 -5.814 2.152 3.841 1.00 0.00 C ATOM 1358 O TYR A 84 -5.002 1.653 4.619 1.00 0.00 O ATOM 1359 CB TYR A 84 -6.544 0.750 1.900 1.00 0.00 C ATOM 1360 CG TYR A 84 -7.485 -0.316 1.384 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -7.478 -1.596 1.922 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -8.381 -0.040 0.359 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -8.337 -2.572 1.453 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -9.244 -1.009 -0.115 1.00 0.00 C ATOM 1365 CZ TYR A 84 -9.218 -2.273 0.435 1.00 0.00 C ATOM 1366 OH TYR A 84 -10.076 -3.240 -0.035 1.00 0.00 O ATOM 0 H TYR A 84 -8.551 2.154 2.192 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.160 0.494 3.936 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.495 1.562 1.174 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.541 0.330 1.977 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.790 -1.833 2.720 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.403 0.949 -0.075 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.318 -3.563 1.881 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -9.935 -0.778 -0.912 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.588 -3.852 -0.625 1.00 0.00 H new ATOM 1376 N GLY A 85 -5.774 3.430 3.474 1.00 0.00 N ATOM 1377 CA GLY A 85 -4.745 4.310 3.991 1.00 0.00 C ATOM 1378 C GLY A 85 -4.834 4.427 5.493 1.00 0.00 C ATOM 1379 O GLY A 85 -3.818 4.475 6.185 1.00 0.00 O ATOM 0 H GLY A 85 -6.433 3.869 2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.763 3.930 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.846 5.297 3.540 1.00 0.00 H new ATOM 1383 N SER A 86 -6.063 4.450 5.997 1.00 0.00 N ATOM 1384 CA SER A 86 -6.297 4.535 7.429 1.00 0.00 C ATOM 1385 C SER A 86 -5.786 3.277 8.125 1.00 0.00 C ATOM 1386 O SER A 86 -5.645 3.250 9.347 1.00 0.00 O ATOM 1387 CB SER A 86 -7.787 4.723 7.717 1.00 0.00 C ATOM 1388 OG SER A 86 -8.022 4.885 9.105 1.00 0.00 O ATOM 0 H SER A 86 -6.912 4.411 5.432 1.00 0.00 H new ATOM 0 HA SER A 86 -5.754 5.397 7.816 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.157 5.595 7.178 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.343 3.861 7.349 1.00 0.00 H new ATOM 0 HG SER A 86 -7.281 4.491 9.610 1.00 0.00 H new ATOM 1394 N ARG A 87 -5.503 2.233 7.336 1.00 0.00 N ATOM 1395 CA ARG A 87 -4.999 0.974 7.881 1.00 0.00 C ATOM 1396 C ARG A 87 -3.902 1.230 8.911 1.00 0.00 C ATOM 1397 O ARG A 87 -3.729 0.458 9.854 1.00 0.00 O ATOM 1398 CB ARG A 87 -4.463 0.087 6.754 1.00 0.00 C ATOM 1399 CG ARG A 87 -3.885 -1.235 7.232 1.00 0.00 C ATOM 1400 CD ARG A 87 -2.918 -1.819 6.214 1.00 0.00 C ATOM 1401 NE ARG A 87 -3.470 -1.799 4.861 1.00 0.00 N ATOM 1402 CZ ARG A 87 -2.731 -1.887 3.757 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -1.412 -2.002 3.839 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -3.315 -1.862 2.567 1.00 0.00 N ATOM 0 H ARG A 87 -5.615 2.238 6.322 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.824 0.461 8.376 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.269 -0.114 6.049 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.693 0.634 6.210 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.370 -1.087 8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.694 -1.942 7.415 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.986 -1.254 6.234 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.675 -2.845 6.491 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.481 -1.713 4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.958 -2.023 4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.852 -2.069 2.989 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.329 -1.775 2.498 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.750 -1.929 1.720 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.171 2.326 8.727 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.103 2.695 9.638 1.00 0.00 C ATOM 1420 C ILE A 88 -2.635 2.873 11.057 1.00 0.00 C ATOM 1421 O ILE A 88 -3.175 3.925 11.398 1.00 0.00 O ATOM 1422 CB ILE A 88 -1.420 4.002 9.191 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -2.459 5.027 8.723 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -0.401 3.730 8.093 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -2.329 6.372 9.404 1.00 0.00 C ATOM 0 H ILE A 88 -3.303 2.974 7.950 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.373 1.886 9.624 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.893 4.419 10.049 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.364 5.163 7.646 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.457 4.630 8.907 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.069 4.667 7.793 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.361 3.045 8.465 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.902 3.284 7.234 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.096 7.048 9.025 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.454 6.249 10.480 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.343 6.790 9.199 1.00 0.00 H new ATOM 1437 N VAL A 89 -2.483 1.840 11.882 1.00 0.00 N ATOM 1438 CA VAL A 89 -2.955 1.891 13.261 1.00 0.00 C ATOM 1439 C VAL A 89 -1.864 2.395 14.199 1.00 0.00 C ATOM 1440 O VAL A 89 -0.711 1.976 14.109 1.00 0.00 O ATOM 1441 CB VAL A 89 -3.432 0.509 13.747 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -4.085 0.620 15.116 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -4.388 -0.113 12.738 1.00 0.00 C ATOM 0 H VAL A 89 -2.038 0.961 11.620 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.796 2.584 13.278 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.563 -0.143 13.837 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.415 -0.366 15.443 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.365 1.017 15.832 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.943 1.289 15.056 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.714 -1.089 13.099 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.255 0.535 12.611 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.880 -0.231 11.781 1.00 0.00 H new ATOM 1453 N THR A 90 -2.237 3.297 15.100 1.00 0.00 N ATOM 1454 CA THR A 90 -1.291 3.858 16.057 1.00 0.00 C ATOM 1455 C THR A 90 -1.425 3.178 17.416 1.00 0.00 C ATOM 1456 O THR A 90 -2.198 3.617 18.268 1.00 0.00 O ATOM 1457 CB THR A 90 -1.515 5.364 16.202 1.00 0.00 C ATOM 1458 OG1 THR A 90 -1.690 5.969 14.934 1.00 0.00 O ATOM 1459 CG2 THR A 90 -0.374 6.075 16.896 1.00 0.00 C ATOM 0 H THR A 90 -3.188 3.655 15.188 1.00 0.00 H new ATOM 0 HA THR A 90 -0.283 3.682 15.681 1.00 0.00 H new ATOM 0 HB THR A 90 -2.411 5.465 16.815 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.885 5.832 14.392 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.597 7.140 16.966 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.245 5.665 17.898 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.544 5.934 16.325 1.00 0.00 H new ATOM 1467 N LEU A 91 -0.667 2.103 17.611 1.00 0.00 N ATOM 1468 CA LEU A 91 -0.701 1.361 18.865 1.00 0.00 C ATOM 1469 C LEU A 91 -0.070 2.172 19.993 1.00 0.00 C ATOM 1470 O LEU A 91 0.993 2.768 19.821 1.00 0.00 O ATOM 1471 CB LEU A 91 0.024 0.021 18.710 1.00 0.00 C ATOM 1472 CG LEU A 91 -0.875 -1.214 18.778 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -1.478 -1.359 20.167 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -1.970 -1.133 17.725 1.00 0.00 C ATOM 0 H LEU A 91 -0.022 1.727 16.916 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.744 1.171 19.120 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.548 0.018 17.754 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.782 -0.057 19.490 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.267 -2.095 18.575 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.115 -2.243 20.197 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.679 -1.462 20.901 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.073 -0.476 20.400 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.601 -2.020 17.787 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.576 -0.244 17.898 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.519 -1.077 16.734 1.00 0.00 H new ATOM 1486 N ARG A 92 -0.733 2.190 21.144 1.00 0.00 N ATOM 1487 CA ARG A 92 -0.238 2.929 22.300 1.00 0.00 C ATOM 1488 C ARG A 92 0.903 2.178 22.977 1.00 0.00 C ATOM 1489 O ARG A 92 0.683 1.395 23.901 1.00 0.00 O ATOM 1490 CB ARG A 92 -1.370 3.168 23.301 1.00 0.00 C ATOM 1491 CG ARG A 92 -0.976 4.063 24.465 1.00 0.00 C ATOM 1492 CD ARG A 92 -0.789 5.505 24.023 1.00 0.00 C ATOM 1493 NE ARG A 92 0.611 5.815 23.744 1.00 0.00 N ATOM 1494 CZ ARG A 92 1.090 7.053 23.645 1.00 0.00 C ATOM 1495 NH1 ARG A 92 0.286 8.097 23.799 1.00 0.00 N ATOM 1496 NH2 ARG A 92 2.377 7.246 23.390 1.00 0.00 N ATOM 0 H ARG A 92 -1.614 1.701 21.302 1.00 0.00 H new ATOM 0 HA ARG A 92 0.139 3.890 21.951 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.216 3.616 22.780 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.708 2.208 23.690 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.743 4.015 25.238 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.052 3.696 24.911 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.386 5.691 23.130 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.160 6.173 24.800 1.00 0.00 H new ATOM 0 HE ARG A 92 1.259 5.038 23.618 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -0.705 7.953 23.994 1.00 0.00 H new ATOM 0 HH12 ARG A 92 0.659 9.043 23.722 1.00 0.00 H new ATOM 0 HH21 ARG A 92 2.999 6.446 23.270 1.00 0.00 H new ATOM 0 HH22 ARG A 92 2.745 8.194 23.314 1.00 0.00 H new ATOM 1510 N GLY A 93 2.124 2.420 22.510 1.00 0.00 N ATOM 1511 CA GLY A 93 3.283 1.759 23.082 1.00 0.00 C ATOM 1512 C GLY A 93 4.069 0.970 22.053 1.00 0.00 C ATOM 1513 O GLY A 93 5.265 0.735 22.223 1.00 0.00 O ATOM 0 H GLY A 93 2.332 3.062 21.745 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.934 2.505 23.538 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.959 1.089 23.878 1.00 0.00 H new ATOM 1517 N VAL A 94 3.396 0.560 20.982 1.00 0.00 N ATOM 1518 CA VAL A 94 4.042 -0.207 19.923 1.00 0.00 C ATOM 1519 C VAL A 94 4.537 0.708 18.809 1.00 0.00 C ATOM 1520 O VAL A 94 5.737 0.790 18.546 1.00 0.00 O ATOM 1521 CB VAL A 94 3.087 -1.257 19.318 1.00 0.00 C ATOM 1522 CG1 VAL A 94 3.874 -2.335 18.589 1.00 0.00 C ATOM 1523 CG2 VAL A 94 2.204 -1.871 20.395 1.00 0.00 C ATOM 0 H VAL A 94 2.405 0.746 20.825 1.00 0.00 H new ATOM 0 HA VAL A 94 4.889 -0.719 20.379 1.00 0.00 H new ATOM 0 HB VAL A 94 2.441 -0.756 18.597 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.185 -3.067 18.169 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.455 -1.881 17.786 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.547 -2.830 19.289 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.539 -2.608 19.944 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.829 -2.356 21.145 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.610 -1.089 20.868 1.00 0.00 H new ATOM 1533 N GLY A 95 3.604 1.392 18.156 1.00 0.00 N ATOM 1534 CA GLY A 95 3.960 2.293 17.076 1.00 0.00 C ATOM 1535 C GLY A 95 2.909 2.327 15.984 1.00 0.00 C ATOM 1536 O GLY A 95 1.769 2.723 16.223 1.00 0.00 O ATOM 0 H GLY A 95 2.605 1.338 18.356 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.099 3.298 17.475 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.914 1.985 16.649 1.00 0.00 H new ATOM 1540 N TYR A 96 3.293 1.907 14.782 1.00 0.00 N ATOM 1541 CA TYR A 96 2.374 1.888 13.650 1.00 0.00 C ATOM 1542 C TYR A 96 2.063 0.457 13.225 1.00 0.00 C ATOM 1543 O TYR A 96 2.890 -0.212 12.606 1.00 0.00 O ATOM 1544 CB TYR A 96 2.962 2.668 12.470 1.00 0.00 C ATOM 1545 CG TYR A 96 2.234 3.961 12.179 1.00 0.00 C ATOM 1546 CD1 TYR A 96 1.802 4.785 13.211 1.00 0.00 C ATOM 1547 CD2 TYR A 96 1.978 4.358 10.872 1.00 0.00 C ATOM 1548 CE1 TYR A 96 1.136 5.966 12.951 1.00 0.00 C ATOM 1549 CE2 TYR A 96 1.312 5.539 10.603 1.00 0.00 C ATOM 1550 CZ TYR A 96 0.894 6.339 11.646 1.00 0.00 C ATOM 1551 OH TYR A 96 0.231 7.516 11.382 1.00 0.00 O ATOM 0 H TYR A 96 4.234 1.576 14.568 1.00 0.00 H new ATOM 0 HA TYR A 96 1.445 2.365 13.963 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.009 2.888 12.676 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.938 2.039 11.580 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.991 4.497 14.235 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.305 3.734 10.053 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.806 6.594 13.765 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.120 5.834 9.582 1.00 0.00 H new ATOM 0 HH TYR A 96 0.349 7.753 10.438 1.00 0.00 H new ATOM 1561 N LEU A 97 0.863 -0.004 13.559 1.00 0.00 N ATOM 1562 CA LEU A 97 0.440 -1.354 13.210 1.00 0.00 C ATOM 1563 C LEU A 97 -0.560 -1.321 12.058 1.00 0.00 C ATOM 1564 O LEU A 97 -1.768 -1.424 12.265 1.00 0.00 O ATOM 1565 CB LEU A 97 -0.176 -2.048 14.429 1.00 0.00 C ATOM 1566 CG LEU A 97 -0.387 -3.560 14.291 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -1.651 -3.851 13.500 1.00 0.00 C ATOM 1568 CD2 LEU A 97 0.818 -4.217 13.632 1.00 0.00 C ATOM 0 H LEU A 97 0.166 0.537 14.071 1.00 0.00 H new ATOM 0 HA LEU A 97 1.316 -1.919 12.890 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.465 -1.865 15.292 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.138 -1.582 14.643 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.499 -3.980 15.290 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.785 -4.929 13.412 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.510 -3.420 14.014 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.567 -3.413 12.505 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.645 -5.290 13.545 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.967 -3.792 12.640 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.706 -4.041 14.239 1.00 0.00 H new ATOM 1580 N PHE A 98 -0.044 -1.171 10.843 1.00 0.00 N ATOM 1581 CA PHE A 98 -0.889 -1.116 9.655 1.00 0.00 C ATOM 1582 C PHE A 98 -1.516 -2.477 9.367 1.00 0.00 C ATOM 1583 O PHE A 98 -1.108 -3.181 8.445 1.00 0.00 O ATOM 1584 CB PHE A 98 -0.083 -0.633 8.442 1.00 0.00 C ATOM 1585 CG PHE A 98 1.166 -1.429 8.170 1.00 0.00 C ATOM 1586 CD1 PHE A 98 2.346 -1.143 8.837 1.00 0.00 C ATOM 1587 CD2 PHE A 98 1.159 -2.459 7.242 1.00 0.00 C ATOM 1588 CE1 PHE A 98 3.495 -1.868 8.585 1.00 0.00 C ATOM 1589 CE2 PHE A 98 2.305 -3.188 6.985 1.00 0.00 C ATOM 1590 CZ PHE A 98 3.474 -2.892 7.659 1.00 0.00 C ATOM 0 H PHE A 98 0.955 -1.085 10.655 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.692 -0.404 9.846 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.721 -0.668 7.559 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.192 0.411 8.595 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.368 -0.344 9.563 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.247 -2.695 6.713 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.408 -1.634 9.112 1.00 0.00 H new ATOM 0 HE2 PHE A 98 2.287 -3.987 6.259 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.371 -3.461 7.462 1.00 0.00 H new ATOM 1600 N SER A 99 -2.516 -2.840 10.164 1.00 0.00 N ATOM 1601 CA SER A 99 -3.204 -4.115 9.996 1.00 0.00 C ATOM 1602 C SER A 99 -4.402 -3.969 9.064 1.00 0.00 C ATOM 1603 O SER A 99 -5.232 -3.076 9.237 1.00 0.00 O ATOM 1604 CB SER A 99 -3.661 -4.657 11.351 1.00 0.00 C ATOM 1605 OG SER A 99 -2.789 -5.674 11.814 1.00 0.00 O ATOM 0 H SER A 99 -2.868 -2.269 10.933 1.00 0.00 H new ATOM 0 HA SER A 99 -2.502 -4.820 9.549 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.696 -3.845 12.078 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.673 -5.053 11.265 1.00 0.00 H new ATOM 0 HG SER A 99 -3.184 -6.112 12.597 1.00 0.00 H new