USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=21 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 Set 1.1: A 44 ASN : amide:sc= -0.316 X(o=0.88,f=0.96) USER MOD Set 1.2: A 49 CYS SG : rot 50:sc= 1.2 USER MOD Single : A 6 SER OG : rot 44:sc= 1.09 USER MOD Single : A 12 ASN : amide:sc= -4.02! C(o=-4!,f=-17!) USER MOD Single : A 15 TYR OH : rot 180: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 159:sc= -0.943 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 31 THR OG1 : rot 44:sc= -0.17 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0901 USER MOD Single : A 35 SER OG : rot 82:sc= -1.31 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.108) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.517 F(o=-1.1,f=-0.52) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0886 X(o=-0.089,f=-0.28) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.162 K(o=-0.16,f=-2.4!) USER MOD Single : A 61 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=-0.012) USER MOD Single : A 63 LYS NZ :NH3+ -133:sc= -0.963 (180deg=-4.21!) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.443 F(o=-1.1,f=-0.44) USER MOD Single : A 73 HIS : no HE2:sc= -3.55 K(o=-3.6,f=-4.4) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -151:sc= 0.811 (180deg=-0.715!) USER MOD Single : A 84 TYR OH : rot 180:sc= -0.198 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0364 USER MOD Single : A 90 THR OG1 : rot -60:sc= 0.193 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -168:sc= -1.91! USER MOD ----------------------------------------------------------------- ATOM 62 N GLU A 5 2.382 -5.461 -7.738 1.00 0.00 N ATOM 63 CA GLU A 5 1.854 -6.056 -8.950 1.00 0.00 C ATOM 64 C GLU A 5 0.512 -5.441 -9.321 1.00 0.00 C ATOM 65 O GLU A 5 0.324 -4.939 -10.428 1.00 0.00 O ATOM 66 CB GLU A 5 1.707 -7.561 -8.756 1.00 0.00 C ATOM 67 CG GLU A 5 2.949 -8.348 -9.139 1.00 0.00 C ATOM 68 CD GLU A 5 2.817 -9.028 -10.488 1.00 0.00 C ATOM 69 OE1 GLU A 5 2.957 -8.336 -11.518 1.00 0.00 O ATOM 70 OE2 GLU A 5 2.573 -10.253 -10.514 1.00 0.00 O ATOM 0 HA GLU A 5 2.550 -5.860 -9.766 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.467 -7.763 -7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.865 -7.915 -9.351 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.808 -7.677 -9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.148 -9.100 -8.375 1.00 0.00 H new ATOM 77 N SER A 6 -0.411 -5.490 -8.378 1.00 0.00 N ATOM 78 CA SER A 6 -1.750 -4.944 -8.575 1.00 0.00 C ATOM 79 C SER A 6 -2.526 -4.930 -7.262 1.00 0.00 C ATOM 80 O SER A 6 -2.222 -5.694 -6.346 1.00 0.00 O ATOM 81 CB SER A 6 -2.509 -5.763 -9.621 1.00 0.00 C ATOM 82 OG SER A 6 -2.332 -5.223 -10.919 1.00 0.00 O ATOM 0 H SER A 6 -0.260 -5.905 -7.459 1.00 0.00 H new ATOM 0 HA SER A 6 -1.650 -3.918 -8.931 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.160 -6.795 -9.603 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.570 -5.781 -9.373 1.00 0.00 H new ATOM 0 HG SER A 6 -1.390 -4.984 -11.048 1.00 0.00 H new ATOM 88 N ILE A 7 -3.531 -4.064 -7.176 1.00 0.00 N ATOM 89 CA ILE A 7 -4.347 -3.964 -5.972 1.00 0.00 C ATOM 90 C ILE A 7 -5.819 -3.759 -6.317 1.00 0.00 C ATOM 91 O ILE A 7 -6.355 -2.661 -6.171 1.00 0.00 O ATOM 92 CB ILE A 7 -3.876 -2.810 -5.063 1.00 0.00 C ATOM 93 CG1 ILE A 7 -2.375 -2.926 -4.788 1.00 0.00 C ATOM 94 CG2 ILE A 7 -4.663 -2.807 -3.758 1.00 0.00 C ATOM 95 CD1 ILE A 7 -1.538 -1.943 -5.579 1.00 0.00 C ATOM 0 H ILE A 7 -3.799 -3.424 -7.923 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.231 -4.906 -5.436 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.059 -1.866 -5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.196 -2.770 -3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.048 -3.939 -5.021 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.319 -1.987 -3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.724 -2.679 -3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.510 -3.753 -3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.485 -2.082 -5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.688 -2.113 -6.645 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.838 -0.925 -5.328 1.00 0.00 H new ATOM 107 N ARG A 8 -6.470 -4.825 -6.771 1.00 0.00 N ATOM 108 CA ARG A 8 -7.882 -4.761 -7.132 1.00 0.00 C ATOM 109 C ARG A 8 -8.758 -5.229 -5.975 1.00 0.00 C ATOM 110 O ARG A 8 -8.715 -6.395 -5.583 1.00 0.00 O ATOM 111 CB ARG A 8 -8.154 -5.614 -8.372 1.00 0.00 C ATOM 112 CG ARG A 8 -7.900 -7.098 -8.160 1.00 0.00 C ATOM 113 CD ARG A 8 -7.897 -7.855 -9.478 1.00 0.00 C ATOM 114 NE ARG A 8 -7.691 -9.289 -9.286 1.00 0.00 N ATOM 115 CZ ARG A 8 -8.603 -10.106 -8.765 1.00 0.00 C ATOM 116 NH1 ARG A 8 -9.784 -9.636 -8.382 1.00 0.00 N ATOM 117 NH2 ARG A 8 -8.335 -11.398 -8.628 1.00 0.00 N ATOM 0 H ARG A 8 -6.043 -5.743 -6.898 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.128 -3.723 -7.355 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.190 -5.472 -8.680 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.527 -5.260 -9.190 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.943 -7.236 -7.657 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.667 -7.510 -7.504 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.844 -7.691 -9.993 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.111 -7.459 -10.122 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.795 -9.687 -9.568 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.996 -8.644 -8.486 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.479 -10.267 -7.983 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.430 -11.765 -8.922 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.034 -12.024 -8.229 1.00 0.00 H new ATOM 131 N PHE A 9 -9.553 -4.313 -5.430 1.00 0.00 N ATOM 132 CA PHE A 9 -10.439 -4.636 -4.317 1.00 0.00 C ATOM 133 C PHE A 9 -11.878 -4.239 -4.632 1.00 0.00 C ATOM 134 O PHE A 9 -12.215 -3.056 -4.657 1.00 0.00 O ATOM 135 CB PHE A 9 -9.969 -3.933 -3.042 1.00 0.00 C ATOM 136 CG PHE A 9 -9.963 -2.434 -3.147 1.00 0.00 C ATOM 137 CD1 PHE A 9 -8.917 -1.775 -3.772 1.00 0.00 C ATOM 138 CD2 PHE A 9 -11.003 -1.686 -2.619 1.00 0.00 C ATOM 139 CE1 PHE A 9 -8.908 -0.396 -3.869 1.00 0.00 C ATOM 140 CE2 PHE A 9 -10.999 -0.307 -2.713 1.00 0.00 C ATOM 141 CZ PHE A 9 -9.951 0.339 -3.339 1.00 0.00 C ATOM 0 H PHE A 9 -9.602 -3.343 -5.741 1.00 0.00 H new ATOM 0 HA PHE A 9 -10.406 -5.714 -4.161 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -10.615 -4.228 -2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.963 -4.276 -2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.099 -2.345 -4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -11.825 -2.186 -2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.087 0.106 -4.358 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -11.815 0.265 -2.297 1.00 0.00 H new ATOM 0 HZ PHE A 9 -9.947 1.416 -3.414 1.00 0.00 H new ATOM 151 N GLY A 10 -12.722 -5.238 -4.871 1.00 0.00 N ATOM 152 CA GLY A 10 -14.115 -4.974 -5.179 1.00 0.00 C ATOM 153 C GLY A 10 -14.288 -4.204 -6.476 1.00 0.00 C ATOM 154 O GLY A 10 -13.559 -4.441 -7.439 1.00 0.00 O ATOM 0 H GLY A 10 -12.466 -6.225 -4.857 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -14.654 -5.919 -5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.564 -4.409 -4.362 1.00 0.00 H new ATOM 158 N PRO A 11 -15.252 -3.268 -6.534 1.00 0.00 N ATOM 159 CA PRO A 11 -15.502 -2.468 -7.738 1.00 0.00 C ATOM 160 C PRO A 11 -14.355 -1.512 -8.047 1.00 0.00 C ATOM 161 O PRO A 11 -14.134 -1.144 -9.201 1.00 0.00 O ATOM 162 CB PRO A 11 -16.772 -1.685 -7.392 1.00 0.00 C ATOM 163 CG PRO A 11 -16.788 -1.628 -5.904 1.00 0.00 C ATOM 164 CD PRO A 11 -16.170 -2.915 -5.436 1.00 0.00 C ATOM 0 HA PRO A 11 -15.600 -3.092 -8.626 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.751 -0.685 -7.826 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -17.661 -2.182 -7.779 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.224 -0.769 -5.540 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -17.806 -1.524 -5.528 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.639 -2.787 -4.493 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -16.922 -3.688 -5.276 1.00 0.00 H new ATOM 172 N ASN A 12 -13.627 -1.114 -7.009 1.00 0.00 N ATOM 173 CA ASN A 12 -12.502 -0.201 -7.168 1.00 0.00 C ATOM 174 C ASN A 12 -11.183 -0.966 -7.215 1.00 0.00 C ATOM 175 O ASN A 12 -11.046 -2.024 -6.602 1.00 0.00 O ATOM 176 CB ASN A 12 -12.475 0.811 -6.022 1.00 0.00 C ATOM 177 CG ASN A 12 -13.443 1.958 -6.239 1.00 0.00 C ATOM 178 OD1 ASN A 12 -13.083 2.992 -6.802 1.00 0.00 O ATOM 179 ND2 ASN A 12 -14.681 1.779 -5.793 1.00 0.00 N ATOM 0 H ASN A 12 -13.797 -1.410 -6.048 1.00 0.00 H new ATOM 0 HA ASN A 12 -12.628 0.330 -8.111 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.720 0.305 -5.088 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.465 1.207 -5.915 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.377 2.515 -5.911 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.936 0.905 -5.332 1.00 0.00 H new ATOM 186 N VAL A 13 -10.214 -0.422 -7.944 1.00 0.00 N ATOM 187 CA VAL A 13 -8.905 -1.052 -8.067 1.00 0.00 C ATOM 188 C VAL A 13 -7.787 -0.035 -7.876 1.00 0.00 C ATOM 189 O VAL A 13 -8.007 1.172 -7.982 1.00 0.00 O ATOM 190 CB VAL A 13 -8.735 -1.736 -9.437 1.00 0.00 C ATOM 191 CG1 VAL A 13 -9.716 -2.888 -9.586 1.00 0.00 C ATOM 192 CG2 VAL A 13 -8.908 -0.728 -10.564 1.00 0.00 C ATOM 0 H VAL A 13 -10.311 0.454 -8.458 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.843 -1.808 -7.284 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.725 -2.141 -9.496 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.580 -3.358 -10.560 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.537 -3.622 -8.801 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.735 -2.511 -9.504 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.784 -1.230 -11.523 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.904 -0.289 -10.510 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.159 0.058 -10.467 1.00 0.00 H new ATOM 202 N PHE A 14 -6.586 -0.528 -7.592 1.00 0.00 N ATOM 203 CA PHE A 14 -5.434 0.340 -7.385 1.00 0.00 C ATOM 204 C PHE A 14 -4.220 -0.177 -8.149 1.00 0.00 C ATOM 205 O PHE A 14 -3.474 -1.022 -7.654 1.00 0.00 O ATOM 206 CB PHE A 14 -5.109 0.445 -5.893 1.00 0.00 C ATOM 207 CG PHE A 14 -5.541 1.744 -5.276 1.00 0.00 C ATOM 208 CD1 PHE A 14 -6.876 2.116 -5.277 1.00 0.00 C ATOM 209 CD2 PHE A 14 -4.613 2.593 -4.695 1.00 0.00 C ATOM 210 CE1 PHE A 14 -7.277 3.311 -4.710 1.00 0.00 C ATOM 211 CE2 PHE A 14 -5.007 3.789 -4.127 1.00 0.00 C ATOM 212 CZ PHE A 14 -6.341 4.149 -4.134 1.00 0.00 C ATOM 0 H PHE A 14 -6.386 -1.524 -7.500 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.683 1.331 -7.764 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.592 -0.377 -5.365 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.035 0.325 -5.754 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.611 1.465 -5.726 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.569 2.316 -4.686 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.320 3.590 -4.717 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.273 4.442 -3.678 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.652 5.083 -3.690 1.00 0.00 H new ATOM 222 N TYR A 15 -4.028 0.338 -9.359 1.00 0.00 N ATOM 223 CA TYR A 15 -2.905 -0.068 -10.193 1.00 0.00 C ATOM 224 C TYR A 15 -1.614 0.593 -9.722 1.00 0.00 C ATOM 225 O TYR A 15 -1.597 1.779 -9.392 1.00 0.00 O ATOM 226 CB TYR A 15 -3.174 0.295 -11.655 1.00 0.00 C ATOM 227 CG TYR A 15 -4.228 -0.569 -12.310 1.00 0.00 C ATOM 228 CD1 TYR A 15 -5.573 -0.223 -12.251 1.00 0.00 C ATOM 229 CD2 TYR A 15 -3.879 -1.729 -12.989 1.00 0.00 C ATOM 230 CE1 TYR A 15 -6.539 -1.009 -12.849 1.00 0.00 C ATOM 231 CE2 TYR A 15 -4.839 -2.520 -13.590 1.00 0.00 C ATOM 232 CZ TYR A 15 -6.167 -2.156 -13.517 1.00 0.00 C ATOM 233 OH TYR A 15 -7.126 -2.942 -14.114 1.00 0.00 O ATOM 0 H TYR A 15 -4.637 1.038 -9.783 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.791 -1.149 -10.109 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.486 1.338 -11.710 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.245 0.210 -12.219 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.868 0.675 -11.729 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.840 -2.018 -13.048 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.580 -0.726 -12.793 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.551 -3.419 -14.114 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.697 -3.712 -14.543 1.00 0.00 H new ATOM 243 N VAL A 16 -0.535 -0.181 -9.694 1.00 0.00 N ATOM 244 CA VAL A 16 0.760 0.332 -9.263 1.00 0.00 C ATOM 245 C VAL A 16 1.588 0.823 -10.449 1.00 0.00 C ATOM 246 O VAL A 16 2.800 1.006 -10.336 1.00 0.00 O ATOM 247 CB VAL A 16 1.564 -0.737 -8.499 1.00 0.00 C ATOM 248 CG1 VAL A 16 1.020 -0.910 -7.090 1.00 0.00 C ATOM 249 CG2 VAL A 16 1.548 -2.060 -9.252 1.00 0.00 C ATOM 0 H VAL A 16 -0.531 -1.165 -9.964 1.00 0.00 H new ATOM 0 HA VAL A 16 0.557 1.170 -8.596 1.00 0.00 H new ATOM 0 HB VAL A 16 2.598 -0.401 -8.425 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.601 -1.669 -6.566 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.092 0.036 -6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.024 -1.221 -7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.121 -2.802 -8.696 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.519 -2.404 -9.362 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.992 -1.923 -10.238 1.00 0.00 H new ATOM 259 N LEU A 17 0.929 1.034 -11.585 1.00 0.00 N ATOM 260 CA LEU A 17 1.608 1.504 -12.787 1.00 0.00 C ATOM 261 C LEU A 17 1.045 2.848 -13.243 1.00 0.00 C ATOM 262 O LEU A 17 1.772 3.689 -13.772 1.00 0.00 O ATOM 263 CB LEU A 17 1.472 0.472 -13.910 1.00 0.00 C ATOM 264 CG LEU A 17 2.665 -0.472 -14.070 1.00 0.00 C ATOM 265 CD1 LEU A 17 3.903 0.300 -14.499 1.00 0.00 C ATOM 266 CD2 LEU A 17 2.927 -1.224 -12.774 1.00 0.00 C ATOM 0 H LEU A 17 -0.074 0.887 -11.698 1.00 0.00 H new ATOM 0 HA LEU A 17 2.663 1.637 -12.549 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.578 -0.125 -13.728 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.317 1.000 -14.851 1.00 0.00 H new ATOM 0 HG LEU A 17 2.427 -1.198 -14.847 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.741 -0.388 -14.608 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.712 0.793 -15.452 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.144 1.049 -13.745 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.779 -1.891 -12.906 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.144 -0.512 -11.978 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.046 -1.809 -12.508 1.00 0.00 H new ATOM 278 N LYS A 18 -0.254 3.042 -13.037 1.00 0.00 N ATOM 279 CA LYS A 18 -0.915 4.282 -13.431 1.00 0.00 C ATOM 280 C LYS A 18 -1.390 5.070 -12.211 1.00 0.00 C ATOM 281 O LYS A 18 -1.572 6.285 -12.282 1.00 0.00 O ATOM 282 CB LYS A 18 -2.101 3.991 -14.357 1.00 0.00 C ATOM 283 CG LYS A 18 -2.742 2.631 -14.135 1.00 0.00 C ATOM 284 CD LYS A 18 -3.735 2.301 -15.238 1.00 0.00 C ATOM 285 CE LYS A 18 -4.050 0.814 -15.282 1.00 0.00 C ATOM 286 NZ LYS A 18 -3.718 0.216 -16.605 1.00 0.00 N ATOM 0 H LYS A 18 -0.870 2.357 -12.600 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.185 4.888 -13.968 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.856 4.764 -14.216 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.765 4.058 -15.392 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.969 1.864 -14.098 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.250 2.619 -13.170 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.655 2.864 -15.080 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.330 2.616 -16.199 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.490 0.301 -14.500 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.108 0.660 -15.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.947 -0.798 -16.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.271 0.688 -17.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.703 0.340 -16.797 1.00 0.00 H new ATOM 300 N LEU A 19 -1.590 4.374 -11.094 1.00 0.00 N ATOM 301 CA LEU A 19 -2.043 5.017 -9.867 1.00 0.00 C ATOM 302 C LEU A 19 -3.412 5.660 -10.065 1.00 0.00 C ATOM 303 O LEU A 19 -3.658 6.778 -9.612 1.00 0.00 O ATOM 304 CB LEU A 19 -1.029 6.070 -9.412 1.00 0.00 C ATOM 305 CG LEU A 19 0.332 5.514 -8.986 1.00 0.00 C ATOM 306 CD1 LEU A 19 1.446 6.475 -9.373 1.00 0.00 C ATOM 307 CD2 LEU A 19 0.352 5.248 -7.488 1.00 0.00 C ATOM 0 H LEU A 19 -1.445 3.367 -11.015 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.130 4.252 -9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.876 6.781 -10.224 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.455 6.626 -8.577 1.00 0.00 H new ATOM 0 HG LEU A 19 0.497 4.570 -9.506 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.406 6.063 -9.062 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.445 6.617 -10.454 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.286 7.434 -8.881 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.327 4.853 -7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.165 6.178 -6.951 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.422 4.522 -7.237 1.00 0.00 H new ATOM 319 N THR A 20 -4.301 4.943 -10.745 1.00 0.00 N ATOM 320 CA THR A 20 -5.647 5.437 -11.005 1.00 0.00 C ATOM 321 C THR A 20 -6.692 4.471 -10.458 1.00 0.00 C ATOM 322 O THR A 20 -6.648 3.272 -10.733 1.00 0.00 O ATOM 323 CB THR A 20 -5.859 5.640 -12.506 1.00 0.00 C ATOM 324 OG1 THR A 20 -4.863 6.492 -13.042 1.00 0.00 O ATOM 325 CG2 THR A 20 -7.207 6.238 -12.845 1.00 0.00 C ATOM 0 H THR A 20 -4.112 4.016 -11.126 1.00 0.00 H new ATOM 0 HA THR A 20 -5.761 6.395 -10.498 1.00 0.00 H new ATOM 0 HB THR A 20 -5.803 4.643 -12.943 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.015 6.608 -14.003 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.292 6.355 -13.925 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.998 5.578 -12.489 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.304 7.212 -12.366 1.00 0.00 H new ATOM 333 N VAL A 21 -7.630 5.001 -9.679 1.00 0.00 N ATOM 334 CA VAL A 21 -8.684 4.184 -9.090 1.00 0.00 C ATOM 335 C VAL A 21 -9.877 4.063 -10.033 1.00 0.00 C ATOM 336 O VAL A 21 -10.536 5.054 -10.346 1.00 0.00 O ATOM 337 CB VAL A 21 -9.165 4.767 -7.747 1.00 0.00 C ATOM 338 CG1 VAL A 21 -10.003 3.747 -6.992 1.00 0.00 C ATOM 339 CG2 VAL A 21 -7.982 5.223 -6.905 1.00 0.00 C ATOM 0 H VAL A 21 -7.681 5.992 -9.441 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.257 3.196 -8.917 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.789 5.636 -7.954 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.334 4.176 -6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.872 3.475 -7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.404 2.857 -6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.343 5.631 -5.961 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.328 4.374 -6.706 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.427 5.991 -7.444 1.00 0.00 H new ATOM 349 N GLU A 22 -10.149 2.842 -10.481 1.00 0.00 N ATOM 350 CA GLU A 22 -11.264 2.592 -11.386 1.00 0.00 C ATOM 351 C GLU A 22 -12.584 2.548 -10.623 1.00 0.00 C ATOM 352 O GLU A 22 -13.132 1.475 -10.371 1.00 0.00 O ATOM 353 CB GLU A 22 -11.052 1.278 -12.141 1.00 0.00 C ATOM 354 CG GLU A 22 -11.677 1.264 -13.526 1.00 0.00 C ATOM 355 CD GLU A 22 -13.188 1.147 -13.483 1.00 0.00 C ATOM 356 OE1 GLU A 22 -13.690 0.036 -13.210 1.00 0.00 O ATOM 357 OE2 GLU A 22 -13.870 2.166 -13.721 1.00 0.00 O ATOM 0 H GLU A 22 -9.613 2.011 -10.232 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.308 3.411 -12.104 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.982 1.090 -12.232 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.471 0.460 -11.554 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.402 2.177 -14.054 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.268 0.430 -14.097 1.00 0.00 H new ATOM 364 N THR A 23 -13.087 3.722 -10.255 1.00 0.00 N ATOM 365 CA THR A 23 -14.342 3.819 -9.519 1.00 0.00 C ATOM 366 C THR A 23 -15.524 3.441 -10.408 1.00 0.00 C ATOM 367 O THR A 23 -15.378 3.285 -11.620 1.00 0.00 O ATOM 368 CB THR A 23 -14.530 5.237 -8.971 1.00 0.00 C ATOM 369 OG1 THR A 23 -13.579 6.124 -9.531 1.00 0.00 O ATOM 370 CG2 THR A 23 -14.401 5.316 -7.465 1.00 0.00 C ATOM 0 H THR A 23 -12.645 4.619 -10.455 1.00 0.00 H new ATOM 0 HA THR A 23 -14.300 3.119 -8.684 1.00 0.00 H new ATOM 0 HB THR A 23 -15.544 5.522 -9.250 1.00 0.00 H new ATOM 0 HG1 THR A 23 -13.903 7.045 -9.449 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.545 6.347 -7.141 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.156 4.681 -7.001 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.409 4.977 -7.167 1.00 0.00 H new ATOM 378 N PRO A 24 -16.718 3.288 -9.810 1.00 0.00 N ATOM 379 CA PRO A 24 -17.928 2.926 -10.545 1.00 0.00 C ATOM 380 C PRO A 24 -18.530 4.112 -11.291 1.00 0.00 C ATOM 381 O PRO A 24 -19.200 3.942 -12.310 1.00 0.00 O ATOM 382 CB PRO A 24 -18.868 2.452 -9.440 1.00 0.00 C ATOM 383 CG PRO A 24 -18.458 3.223 -8.236 1.00 0.00 C ATOM 384 CD PRO A 24 -16.978 3.455 -8.368 1.00 0.00 C ATOM 0 HA PRO A 24 -17.737 2.179 -11.316 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -19.910 2.644 -9.697 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.774 1.379 -9.274 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.996 4.169 -8.178 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.685 2.671 -7.324 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.698 4.451 -8.025 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.407 2.741 -7.774 1.00 0.00 H new ATOM 392 N GLU A 25 -18.286 5.314 -10.779 1.00 0.00 N ATOM 393 CA GLU A 25 -18.802 6.529 -11.398 1.00 0.00 C ATOM 394 C GLU A 25 -17.851 7.036 -12.477 1.00 0.00 C ATOM 395 O GLU A 25 -18.277 7.651 -13.455 1.00 0.00 O ATOM 396 CB GLU A 25 -19.017 7.614 -10.340 1.00 0.00 C ATOM 397 CG GLU A 25 -20.078 8.634 -10.720 1.00 0.00 C ATOM 398 CD GLU A 25 -21.407 7.992 -11.069 1.00 0.00 C ATOM 399 OE1 GLU A 25 -21.869 7.126 -10.297 1.00 0.00 O ATOM 400 OE2 GLU A 25 -21.985 8.356 -12.115 1.00 0.00 O ATOM 0 H GLU A 25 -17.734 5.472 -9.936 1.00 0.00 H new ATOM 0 HA GLU A 25 -19.758 6.291 -11.864 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -19.300 7.141 -9.399 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -18.074 8.131 -10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -20.221 9.329 -9.893 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -19.727 9.218 -11.570 1.00 0.00 H new ATOM 407 N GLY A 26 -16.560 6.773 -12.294 1.00 0.00 N ATOM 408 CA GLY A 26 -15.570 7.210 -13.260 1.00 0.00 C ATOM 409 C GLY A 26 -14.157 6.837 -12.854 1.00 0.00 C ATOM 410 O GLY A 26 -13.733 5.696 -13.035 1.00 0.00 O ATOM 0 H GLY A 26 -16.183 6.265 -11.494 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.794 6.768 -14.231 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.637 8.291 -13.380 1.00 0.00 H new ATOM 414 N SER A 27 -13.428 7.802 -12.302 1.00 0.00 N ATOM 415 CA SER A 27 -12.054 7.570 -11.869 1.00 0.00 C ATOM 416 C SER A 27 -11.680 8.507 -10.725 1.00 0.00 C ATOM 417 O SER A 27 -12.418 9.439 -10.406 1.00 0.00 O ATOM 418 CB SER A 27 -11.089 7.764 -13.039 1.00 0.00 C ATOM 419 OG SER A 27 -11.405 8.934 -13.773 1.00 0.00 O ATOM 0 H SER A 27 -13.765 8.752 -12.144 1.00 0.00 H new ATOM 0 HA SER A 27 -11.979 6.543 -11.513 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.068 7.831 -12.665 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.131 6.896 -13.697 1.00 0.00 H new ATOM 0 HG SER A 27 -10.772 9.036 -14.514 1.00 0.00 H new ATOM 425 N VAL A 28 -10.528 8.254 -10.111 1.00 0.00 N ATOM 426 CA VAL A 28 -10.059 9.076 -9.003 1.00 0.00 C ATOM 427 C VAL A 28 -8.545 9.256 -9.049 1.00 0.00 C ATOM 428 O VAL A 28 -7.796 8.421 -8.542 1.00 0.00 O ATOM 429 CB VAL A 28 -10.447 8.463 -7.644 1.00 0.00 C ATOM 430 CG1 VAL A 28 -10.145 9.434 -6.514 1.00 0.00 C ATOM 431 CG2 VAL A 28 -11.916 8.066 -7.637 1.00 0.00 C ATOM 0 H VAL A 28 -9.904 7.487 -10.362 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.541 10.048 -9.109 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.850 7.564 -7.488 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.426 8.983 -5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.079 9.663 -6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.713 10.353 -6.662 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.172 7.635 -6.669 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.532 8.947 -7.816 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -12.098 7.331 -8.421 1.00 0.00 H new ATOM 441 N HIS A 29 -8.101 10.352 -9.656 1.00 0.00 N ATOM 442 CA HIS A 29 -6.676 10.642 -9.762 1.00 0.00 C ATOM 443 C HIS A 29 -6.111 11.061 -8.408 1.00 0.00 C ATOM 444 O HIS A 29 -6.421 12.139 -7.902 1.00 0.00 O ATOM 445 CB HIS A 29 -6.432 11.744 -10.797 1.00 0.00 C ATOM 446 CG HIS A 29 -5.335 11.425 -11.764 1.00 0.00 C ATOM 447 ND1 HIS A 29 -5.378 10.347 -12.624 1.00 0.00 N ATOM 448 CD2 HIS A 29 -4.158 12.050 -12.007 1.00 0.00 C ATOM 449 CE1 HIS A 29 -4.276 10.323 -13.352 1.00 0.00 C ATOM 450 NE2 HIS A 29 -3.520 11.346 -12.998 1.00 0.00 N ATOM 0 H HIS A 29 -8.707 11.053 -10.082 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.166 9.735 -10.086 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.354 11.921 -11.351 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.189 12.671 -10.278 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.790 12.937 -11.513 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.034 9.591 -14.108 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.610 11.576 -13.396 1.00 0.00 H new ATOM 459 N LEU A 30 -5.287 10.197 -7.824 1.00 0.00 N ATOM 460 CA LEU A 30 -4.686 10.474 -6.524 1.00 0.00 C ATOM 461 C LEU A 30 -3.223 10.877 -6.666 1.00 0.00 C ATOM 462 O LEU A 30 -2.626 10.728 -7.732 1.00 0.00 O ATOM 463 CB LEU A 30 -4.796 9.242 -5.621 1.00 0.00 C ATOM 464 CG LEU A 30 -4.516 7.902 -6.309 1.00 0.00 C ATOM 465 CD1 LEU A 30 -3.202 7.951 -7.074 1.00 0.00 C ATOM 466 CD2 LEU A 30 -4.490 6.775 -5.288 1.00 0.00 C ATOM 0 H LEU A 30 -5.020 9.300 -8.230 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.228 11.306 -6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.101 9.358 -4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.799 9.211 -5.196 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.320 7.711 -7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.024 6.989 -7.554 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.252 8.732 -7.833 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.387 8.168 -6.384 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.290 5.830 -5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.707 6.967 -4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.454 6.719 -4.783 1.00 0.00 H new ATOM 478 N THR A 31 -2.648 11.376 -5.576 1.00 0.00 N ATOM 479 CA THR A 31 -1.250 11.787 -5.569 1.00 0.00 C ATOM 480 C THR A 31 -0.355 10.588 -5.261 1.00 0.00 C ATOM 481 O THR A 31 -0.531 9.925 -4.240 1.00 0.00 O ATOM 482 CB THR A 31 -1.024 12.889 -4.533 1.00 0.00 C ATOM 483 OG1 THR A 31 -1.661 12.567 -3.310 1.00 0.00 O ATOM 484 CG2 THR A 31 -1.538 14.242 -4.976 1.00 0.00 C ATOM 0 H THR A 31 -3.130 11.505 -4.686 1.00 0.00 H new ATOM 0 HA THR A 31 -0.996 12.177 -6.554 1.00 0.00 H new ATOM 0 HB THR A 31 0.057 12.951 -4.410 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.501 11.624 -3.096 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.346 14.978 -4.195 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.028 14.543 -5.891 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.610 14.181 -5.161 1.00 0.00 H new ATOM 492 N PRO A 32 0.614 10.282 -6.141 1.00 0.00 N ATOM 493 CA PRO A 32 1.519 9.145 -5.947 1.00 0.00 C ATOM 494 C PRO A 32 2.381 9.278 -4.697 1.00 0.00 C ATOM 495 O PRO A 32 2.994 8.307 -4.254 1.00 0.00 O ATOM 496 CB PRO A 32 2.392 9.150 -7.206 1.00 0.00 C ATOM 497 CG PRO A 32 2.281 10.533 -7.748 1.00 0.00 C ATOM 498 CD PRO A 32 0.900 11.005 -7.393 1.00 0.00 C ATOM 0 HA PRO A 32 0.964 8.218 -5.804 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.426 8.901 -6.970 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.044 8.413 -7.930 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.040 11.184 -7.314 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.432 10.543 -8.828 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.867 12.085 -7.252 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.178 10.763 -8.173 1.00 0.00 H new ATOM 506 N SER A 33 2.423 10.475 -4.125 1.00 0.00 N ATOM 507 CA SER A 33 3.211 10.705 -2.923 1.00 0.00 C ATOM 508 C SER A 33 2.456 10.231 -1.696 1.00 0.00 C ATOM 509 O SER A 33 3.021 9.588 -0.811 1.00 0.00 O ATOM 510 CB SER A 33 3.577 12.185 -2.790 1.00 0.00 C ATOM 511 OG SER A 33 2.701 12.998 -3.551 1.00 0.00 O ATOM 0 H SER A 33 1.925 11.295 -4.471 1.00 0.00 H new ATOM 0 HA SER A 33 4.135 10.132 -3.004 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.534 12.481 -1.742 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.603 12.340 -3.123 1.00 0.00 H new ATOM 0 HG SER A 33 2.955 13.939 -3.448 1.00 0.00 H new ATOM 517 N GLU A 34 1.171 10.527 -1.665 1.00 0.00 N ATOM 518 CA GLU A 34 0.322 10.104 -0.563 1.00 0.00 C ATOM 519 C GLU A 34 -0.204 8.716 -0.849 1.00 0.00 C ATOM 520 O GLU A 34 -0.367 7.898 0.054 1.00 0.00 O ATOM 521 CB GLU A 34 -0.832 11.085 -0.345 1.00 0.00 C ATOM 522 CG GLU A 34 -0.433 12.542 -0.513 1.00 0.00 C ATOM 523 CD GLU A 34 0.612 12.980 0.494 1.00 0.00 C ATOM 524 OE1 GLU A 34 0.573 12.487 1.642 1.00 0.00 O ATOM 525 OE2 GLU A 34 1.469 13.815 0.136 1.00 0.00 O ATOM 0 H GLU A 34 0.690 11.059 -2.390 1.00 0.00 H new ATOM 0 HA GLU A 34 0.912 10.088 0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.632 10.853 -1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.236 10.941 0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.048 12.695 -1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.317 13.171 -0.411 1.00 0.00 H new ATOM 532 N SER A 35 -0.419 8.441 -2.124 1.00 0.00 N ATOM 533 CA SER A 35 -0.868 7.131 -2.540 1.00 0.00 C ATOM 534 C SER A 35 0.341 6.203 -2.596 1.00 0.00 C ATOM 535 O SER A 35 0.201 4.980 -2.640 1.00 0.00 O ATOM 536 CB SER A 35 -1.576 7.204 -3.897 1.00 0.00 C ATOM 537 OG SER A 35 -0.708 6.834 -4.956 1.00 0.00 O ATOM 0 H SER A 35 -0.289 9.108 -2.885 1.00 0.00 H new ATOM 0 HA SER A 35 -1.592 6.742 -1.824 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.445 6.547 -3.891 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.943 8.217 -4.063 1.00 0.00 H new ATOM 0 HG SER A 35 -0.674 5.857 -5.025 1.00 0.00 H new ATOM 543 N GLY A 36 1.538 6.805 -2.571 1.00 0.00 N ATOM 544 CA GLY A 36 2.758 6.032 -2.595 1.00 0.00 C ATOM 545 C GLY A 36 2.978 5.296 -1.296 1.00 0.00 C ATOM 546 O GLY A 36 3.499 4.181 -1.286 1.00 0.00 O ATOM 0 H GLY A 36 1.673 7.815 -2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.719 5.317 -3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.604 6.692 -2.787 1.00 0.00 H new ATOM 550 N ILE A 37 2.568 5.915 -0.195 1.00 0.00 N ATOM 551 CA ILE A 37 2.716 5.291 1.116 1.00 0.00 C ATOM 552 C ILE A 37 1.788 4.092 1.236 1.00 0.00 C ATOM 553 O ILE A 37 2.101 3.113 1.914 1.00 0.00 O ATOM 554 CB ILE A 37 2.438 6.282 2.268 1.00 0.00 C ATOM 555 CG1 ILE A 37 2.568 5.580 3.625 1.00 0.00 C ATOM 556 CG2 ILE A 37 1.057 6.902 2.114 1.00 0.00 C ATOM 557 CD1 ILE A 37 3.328 6.386 4.656 1.00 0.00 C ATOM 0 H ILE A 37 2.135 6.838 -0.182 1.00 0.00 H new ATOM 0 HA ILE A 37 3.752 4.965 1.202 1.00 0.00 H new ATOM 0 HB ILE A 37 3.179 7.080 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.571 5.363 4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.070 4.623 3.483 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.877 7.598 2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.002 7.437 1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.301 6.117 2.132 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.380 5.826 5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.337 6.581 4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.815 7.332 4.828 1.00 0.00 H new ATOM 569 N LEU A 38 0.659 4.169 0.551 1.00 0.00 N ATOM 570 CA LEU A 38 -0.308 3.083 0.549 1.00 0.00 C ATOM 571 C LEU A 38 0.166 1.982 -0.394 1.00 0.00 C ATOM 572 O LEU A 38 -0.209 0.818 -0.252 1.00 0.00 O ATOM 573 CB LEU A 38 -1.695 3.606 0.139 1.00 0.00 C ATOM 574 CG LEU A 38 -2.555 2.651 -0.700 1.00 0.00 C ATOM 575 CD1 LEU A 38 -4.017 2.750 -0.296 1.00 0.00 C ATOM 576 CD2 LEU A 38 -2.390 2.955 -2.181 1.00 0.00 C ATOM 0 H LEU A 38 0.389 4.975 -0.013 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.392 2.668 1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.247 3.860 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.561 4.530 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.218 1.631 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.609 2.065 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.122 2.486 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.369 3.770 -0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.006 2.270 -2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.702 3.981 -2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.344 2.833 -2.463 1.00 0.00 H new ATOM 588 N LYS A 39 1.005 2.364 -1.352 1.00 0.00 N ATOM 589 CA LYS A 39 1.546 1.421 -2.317 1.00 0.00 C ATOM 590 C LYS A 39 2.559 0.499 -1.659 1.00 0.00 C ATOM 591 O LYS A 39 2.623 -0.690 -1.966 1.00 0.00 O ATOM 592 CB LYS A 39 2.190 2.166 -3.490 1.00 0.00 C ATOM 593 CG LYS A 39 1.474 1.950 -4.813 1.00 0.00 C ATOM 594 CD LYS A 39 2.333 2.389 -5.989 1.00 0.00 C ATOM 595 CE LYS A 39 3.636 1.608 -6.050 1.00 0.00 C ATOM 596 NZ LYS A 39 4.285 1.714 -7.386 1.00 0.00 N ATOM 0 H LYS A 39 1.324 3.324 -1.478 1.00 0.00 H new ATOM 0 HA LYS A 39 0.725 0.814 -2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.209 3.233 -3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.226 1.843 -3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.218 0.896 -4.922 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.538 2.508 -4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.780 2.248 -6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.550 3.454 -5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.318 1.979 -5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.442 0.560 -5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.074 1.039 -7.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.589 1.498 -8.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.646 2.680 -7.521 1.00 0.00 H new ATOM 610 N ARG A 40 3.347 1.055 -0.749 1.00 0.00 N ATOM 611 CA ARG A 40 4.355 0.272 -0.045 1.00 0.00 C ATOM 612 C ARG A 40 3.702 -0.665 0.955 1.00 0.00 C ATOM 613 O ARG A 40 4.073 -1.833 1.068 1.00 0.00 O ATOM 614 CB ARG A 40 5.355 1.189 0.662 1.00 0.00 C ATOM 615 CG ARG A 40 6.460 1.701 -0.250 1.00 0.00 C ATOM 616 CD ARG A 40 6.253 3.162 -0.619 1.00 0.00 C ATOM 617 NE ARG A 40 5.834 3.322 -2.009 1.00 0.00 N ATOM 618 CZ ARG A 40 6.597 3.012 -3.054 1.00 0.00 C ATOM 619 NH1 ARG A 40 7.817 2.522 -2.871 1.00 0.00 N ATOM 620 NH2 ARG A 40 6.140 3.192 -4.285 1.00 0.00 N ATOM 0 H ARG A 40 3.309 2.039 -0.482 1.00 0.00 H new ATOM 0 HA ARG A 40 4.894 -0.326 -0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.820 2.040 1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.804 0.649 1.496 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.424 1.584 0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.492 1.098 -1.157 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.501 3.599 0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.179 3.712 -0.454 1.00 0.00 H new ATOM 0 HE ARG A 40 4.901 3.693 -2.189 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.174 2.381 -1.926 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.398 2.286 -3.676 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.203 3.568 -4.431 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.725 2.954 -5.086 1.00 0.00 H new ATOM 634 N LEU A 41 2.714 -0.149 1.661 1.00 0.00 N ATOM 635 CA LEU A 41 1.984 -0.942 2.638 1.00 0.00 C ATOM 636 C LEU A 41 1.063 -1.925 1.930 1.00 0.00 C ATOM 637 O LEU A 41 0.650 -2.932 2.506 1.00 0.00 O ATOM 638 CB LEU A 41 1.181 -0.037 3.575 1.00 0.00 C ATOM 639 CG LEU A 41 1.875 0.303 4.895 1.00 0.00 C ATOM 640 CD1 LEU A 41 1.059 1.315 5.685 1.00 0.00 C ATOM 641 CD2 LEU A 41 2.105 -0.959 5.714 1.00 0.00 C ATOM 0 H LEU A 41 2.396 0.817 1.578 1.00 0.00 H new ATOM 0 HA LEU A 41 2.702 -1.502 3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.953 0.892 3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.229 -0.521 3.796 1.00 0.00 H new ATOM 0 HG LEU A 41 2.844 0.749 4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.570 1.543 6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.947 2.228 5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.075 0.900 5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.600 -0.700 6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.147 -1.433 5.929 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.733 -1.649 5.151 1.00 0.00 H new ATOM 653 N LEU A 42 0.758 -1.635 0.669 1.00 0.00 N ATOM 654 CA LEU A 42 -0.095 -2.503 -0.123 1.00 0.00 C ATOM 655 C LEU A 42 0.663 -3.756 -0.523 1.00 0.00 C ATOM 656 O LEU A 42 0.081 -4.833 -0.651 1.00 0.00 O ATOM 657 CB LEU A 42 -0.608 -1.771 -1.364 1.00 0.00 C ATOM 658 CG LEU A 42 -2.024 -1.209 -1.238 1.00 0.00 C ATOM 659 CD1 LEU A 42 -2.458 -0.566 -2.545 1.00 0.00 C ATOM 660 CD2 LEU A 42 -2.997 -2.305 -0.828 1.00 0.00 C ATOM 0 H LEU A 42 1.090 -0.805 0.177 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.955 -2.790 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.074 -0.952 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.578 -2.457 -2.211 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.026 -0.443 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.468 -0.171 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.775 0.246 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.442 -1.311 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.000 -1.888 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.995 -3.094 -1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.694 -2.720 0.133 1.00 0.00 H new ATOM 672 N ILE A 43 1.972 -3.616 -0.695 1.00 0.00 N ATOM 673 CA ILE A 43 2.806 -4.755 -1.053 1.00 0.00 C ATOM 674 C ILE A 43 2.708 -5.823 0.027 1.00 0.00 C ATOM 675 O ILE A 43 2.849 -7.016 -0.245 1.00 0.00 O ATOM 676 CB ILE A 43 4.286 -4.362 -1.251 1.00 0.00 C ATOM 677 CG1 ILE A 43 4.401 -3.019 -1.979 1.00 0.00 C ATOM 678 CG2 ILE A 43 5.017 -5.448 -2.027 1.00 0.00 C ATOM 679 CD1 ILE A 43 3.557 -2.931 -3.233 1.00 0.00 C ATOM 0 H ILE A 43 2.474 -2.734 -0.593 1.00 0.00 H new ATOM 0 HA ILE A 43 2.437 -5.140 -2.004 1.00 0.00 H new ATOM 0 HB ILE A 43 4.748 -4.257 -0.269 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.108 -2.220 -1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.445 -2.847 -2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.060 -5.160 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.967 -6.386 -1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.548 -5.576 -3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.690 -1.952 -3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.865 -3.707 -3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.507 -3.071 -2.976 1.00 0.00 H new ATOM 691 N ASN A 44 2.443 -5.382 1.257 1.00 0.00 N ATOM 692 CA ASN A 44 2.300 -6.294 2.382 1.00 0.00 C ATOM 693 C ASN A 44 0.848 -6.732 2.520 1.00 0.00 C ATOM 694 O ASN A 44 0.558 -7.887 2.829 1.00 0.00 O ATOM 695 CB ASN A 44 2.777 -5.625 3.672 1.00 0.00 C ATOM 696 CG ASN A 44 4.263 -5.326 3.654 1.00 0.00 C ATOM 697 OD1 ASN A 44 4.721 -4.443 2.929 1.00 0.00 O ATOM 698 ND2 ASN A 44 5.025 -6.062 4.454 1.00 0.00 N ATOM 0 H ASN A 44 2.324 -4.397 1.495 1.00 0.00 H new ATOM 0 HA ASN A 44 2.916 -7.174 2.199 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.225 -4.697 3.823 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.550 -6.272 4.519 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.033 -5.906 4.484 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.603 -6.784 5.038 1.00 0.00 H new ATOM 705 N LYS A 45 -0.056 -5.791 2.271 1.00 0.00 N ATOM 706 CA LYS A 45 -1.495 -6.040 2.343 1.00 0.00 C ATOM 707 C LYS A 45 -1.863 -6.921 3.536 1.00 0.00 C ATOM 708 O LYS A 45 -2.094 -8.120 3.386 1.00 0.00 O ATOM 709 CB LYS A 45 -1.984 -6.687 1.045 1.00 0.00 C ATOM 710 CG LYS A 45 -2.507 -5.685 0.027 1.00 0.00 C ATOM 711 CD LYS A 45 -2.282 -6.165 -1.399 1.00 0.00 C ATOM 712 CE LYS A 45 -3.592 -6.289 -2.163 1.00 0.00 C ATOM 713 NZ LYS A 45 -4.017 -7.709 -2.310 1.00 0.00 N ATOM 0 H LYS A 45 0.186 -4.834 2.014 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.987 -5.077 2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.165 -7.252 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.774 -7.401 1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.572 -5.520 0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.010 -4.726 0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.622 -5.469 -1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.777 -7.131 -1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.370 -5.729 -1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.481 -5.839 -3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.913 -7.750 -2.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.287 -8.238 -2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.148 -8.131 -1.369 1.00 0.00 H new ATOM 727 N GLY A 46 -1.925 -6.314 4.716 1.00 0.00 N ATOM 728 CA GLY A 46 -2.276 -7.055 5.913 1.00 0.00 C ATOM 729 C GLY A 46 -1.126 -7.883 6.453 1.00 0.00 C ATOM 730 O GLY A 46 -1.299 -9.056 6.782 1.00 0.00 O ATOM 0 H GLY A 46 -1.739 -5.322 4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.607 -6.357 6.682 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.118 -7.711 5.694 1.00 0.00 H new ATOM 734 N GLN A 47 0.049 -7.271 6.550 1.00 0.00 N ATOM 735 CA GLN A 47 1.228 -7.960 7.061 1.00 0.00 C ATOM 736 C GLN A 47 1.872 -7.158 8.187 1.00 0.00 C ATOM 737 O GLN A 47 1.603 -5.968 8.346 1.00 0.00 O ATOM 738 CB GLN A 47 2.239 -8.195 5.937 1.00 0.00 C ATOM 739 CG GLN A 47 2.851 -9.586 5.951 1.00 0.00 C ATOM 740 CD GLN A 47 1.815 -10.680 5.789 1.00 0.00 C ATOM 741 OE1 GLN A 47 1.301 -11.178 6.907 1.00 0.00 O flip ATOM 742 NE2 GLN A 47 1.479 -11.073 4.672 1.00 0.00 N flip ATOM 0 H GLN A 47 0.210 -6.300 6.282 1.00 0.00 H new ATOM 0 HA GLN A 47 0.914 -8.926 7.457 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.748 -8.033 4.978 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.036 -7.456 6.016 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.585 -9.664 5.149 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.387 -9.734 6.889 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.900 -10.662 3.839 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.780 -11.810 4.580 1.00 0.00 H new ATOM 751 N LEU A 48 2.718 -7.818 8.969 1.00 0.00 N ATOM 752 CA LEU A 48 3.391 -7.163 10.084 1.00 0.00 C ATOM 753 C LEU A 48 4.430 -6.160 9.591 1.00 0.00 C ATOM 754 O LEU A 48 5.490 -6.540 9.094 1.00 0.00 O ATOM 755 CB LEU A 48 4.054 -8.200 10.991 1.00 0.00 C ATOM 756 CG LEU A 48 3.970 -7.892 12.486 1.00 0.00 C ATOM 757 CD1 LEU A 48 3.999 -9.177 13.300 1.00 0.00 C ATOM 758 CD2 LEU A 48 5.104 -6.968 12.904 1.00 0.00 C ATOM 0 H LEU A 48 2.954 -8.803 8.852 1.00 0.00 H new ATOM 0 HA LEU A 48 2.638 -6.620 10.655 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.592 -9.170 10.808 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.104 -8.289 10.711 1.00 0.00 H new ATOM 0 HG LEU A 48 3.024 -7.386 12.680 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.938 -8.937 14.361 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.152 -9.804 13.021 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.928 -9.712 13.102 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.029 -6.759 13.971 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.060 -7.448 12.695 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.037 -6.034 12.346 1.00 0.00 H new ATOM 770 N CYS A 49 4.117 -4.877 9.743 1.00 0.00 N ATOM 771 CA CYS A 49 5.020 -3.810 9.326 1.00 0.00 C ATOM 772 C CYS A 49 5.371 -2.921 10.513 1.00 0.00 C ATOM 773 O CYS A 49 4.779 -3.045 11.585 1.00 0.00 O ATOM 774 CB CYS A 49 4.389 -2.970 8.212 1.00 0.00 C ATOM 775 SG CYS A 49 3.483 -3.933 6.977 1.00 0.00 S ATOM 0 H CYS A 49 3.242 -4.550 10.153 1.00 0.00 H new ATOM 0 HA CYS A 49 5.932 -4.266 8.942 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.710 -2.245 8.660 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.174 -2.404 7.710 1.00 0.00 H new ATOM 0 HG CYS A 49 2.656 -4.737 7.576 1.00 0.00 H new ATOM 781 N LEU A 50 6.337 -2.030 10.325 1.00 0.00 N ATOM 782 CA LEU A 50 6.759 -1.131 11.394 1.00 0.00 C ATOM 783 C LEU A 50 6.789 0.317 10.918 1.00 0.00 C ATOM 784 O LEU A 50 6.855 0.587 9.719 1.00 0.00 O ATOM 785 CB LEU A 50 8.138 -1.539 11.915 1.00 0.00 C ATOM 786 CG LEU A 50 8.378 -3.050 11.994 1.00 0.00 C ATOM 787 CD1 LEU A 50 9.558 -3.452 11.123 1.00 0.00 C ATOM 788 CD2 LEU A 50 8.605 -3.481 13.435 1.00 0.00 C ATOM 0 H LEU A 50 6.841 -1.910 9.447 1.00 0.00 H new ATOM 0 HA LEU A 50 6.033 -1.208 12.203 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.899 -1.099 11.270 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.276 -1.112 12.908 1.00 0.00 H new ATOM 0 HG LEU A 50 7.489 -3.558 11.620 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.712 -4.529 11.193 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.354 -3.181 10.087 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.455 -2.934 11.464 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.774 -4.557 13.471 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.476 -2.964 13.837 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.728 -3.231 14.032 1.00 0.00 H new ATOM 800 N ARG A 51 6.739 1.244 11.869 1.00 0.00 N ATOM 801 CA ARG A 51 6.759 2.668 11.554 1.00 0.00 C ATOM 802 C ARG A 51 8.077 3.065 10.909 1.00 0.00 C ATOM 803 O ARG A 51 8.129 3.406 9.727 1.00 0.00 O ATOM 804 CB ARG A 51 6.526 3.496 12.819 1.00 0.00 C ATOM 805 CG ARG A 51 5.153 3.288 13.437 1.00 0.00 C ATOM 806 CD ARG A 51 5.120 3.733 14.890 1.00 0.00 C ATOM 807 NE ARG A 51 4.788 5.150 15.023 1.00 0.00 N ATOM 808 CZ ARG A 51 5.686 6.133 14.988 1.00 0.00 C ATOM 809 NH1 ARG A 51 6.975 5.862 14.820 1.00 0.00 N ATOM 810 NH2 ARG A 51 5.294 7.392 15.121 1.00 0.00 N ATOM 0 H ARG A 51 6.684 1.034 12.866 1.00 0.00 H new ATOM 0 HA ARG A 51 5.955 2.867 10.845 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.289 3.242 13.555 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.652 4.552 12.580 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.409 3.846 12.868 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.880 2.235 13.372 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.388 3.137 15.435 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.090 3.544 15.349 1.00 0.00 H new ATOM 0 HE ARG A 51 3.808 5.402 15.151 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.284 4.895 14.717 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.656 6.621 14.794 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.305 7.607 15.250 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.981 8.146 15.094 1.00 0.00 H new ATOM 824 N LYS A 52 9.137 3.017 11.697 1.00 0.00 N ATOM 825 CA LYS A 52 10.471 3.373 11.220 1.00 0.00 C ATOM 826 C LYS A 52 10.837 2.592 9.968 1.00 0.00 C ATOM 827 O LYS A 52 11.664 3.028 9.168 1.00 0.00 O ATOM 828 CB LYS A 52 11.514 3.135 12.313 1.00 0.00 C ATOM 829 CG LYS A 52 11.217 3.874 13.608 1.00 0.00 C ATOM 830 CD LYS A 52 12.494 4.321 14.299 1.00 0.00 C ATOM 831 CE LYS A 52 12.261 5.554 15.157 1.00 0.00 C ATOM 832 NZ LYS A 52 13.045 5.507 16.422 1.00 0.00 N ATOM 0 H LYS A 52 9.104 2.734 12.676 1.00 0.00 H new ATOM 0 HA LYS A 52 10.460 4.433 10.967 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.574 2.066 12.520 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.492 3.444 11.944 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.593 4.742 13.398 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.648 3.227 14.275 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.875 3.511 14.920 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.258 4.536 13.551 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.535 6.446 14.593 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.200 5.638 15.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.858 6.366 16.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.766 4.670 16.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.060 5.452 16.200 1.00 0.00 H new ATOM 846 N HIS A 53 10.208 1.445 9.796 1.00 0.00 N ATOM 847 CA HIS A 53 10.457 0.614 8.635 1.00 0.00 C ATOM 848 C HIS A 53 9.669 1.127 7.442 1.00 0.00 C ATOM 849 O HIS A 53 10.113 1.033 6.298 1.00 0.00 O ATOM 850 CB HIS A 53 10.070 -0.822 8.942 1.00 0.00 C ATOM 851 CG HIS A 53 10.711 -1.827 8.036 1.00 0.00 C ATOM 852 ND1 HIS A 53 11.534 -2.835 8.493 1.00 0.00 N ATOM 853 CD2 HIS A 53 10.648 -1.976 6.692 1.00 0.00 C ATOM 854 CE1 HIS A 53 11.950 -3.559 7.469 1.00 0.00 C ATOM 855 NE2 HIS A 53 11.426 -3.059 6.365 1.00 0.00 N ATOM 0 H HIS A 53 9.520 1.067 10.447 1.00 0.00 H new ATOM 0 HA HIS A 53 11.518 0.653 8.390 1.00 0.00 H new ATOM 0 HB2 HIS A 53 10.343 -1.050 9.973 1.00 0.00 H new ATOM 0 HB3 HIS A 53 8.987 -0.920 8.870 1.00 0.00 H new ATOM 0 HD2 HIS A 53 10.090 -1.358 6.005 1.00 0.00 H new ATOM 0 HE1 HIS A 53 12.607 -4.414 7.525 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.575 -3.419 5.422 1.00 0.00 H new ATOM 864 N LEU A 54 8.500 1.683 7.726 1.00 0.00 N ATOM 865 CA LEU A 54 7.643 2.232 6.687 1.00 0.00 C ATOM 866 C LEU A 54 8.290 3.464 6.080 1.00 0.00 C ATOM 867 O LEU A 54 8.336 3.624 4.860 1.00 0.00 O ATOM 868 CB LEU A 54 6.264 2.578 7.255 1.00 0.00 C ATOM 869 CG LEU A 54 5.081 1.969 6.497 1.00 0.00 C ATOM 870 CD1 LEU A 54 4.081 1.356 7.465 1.00 0.00 C ATOM 871 CD2 LEU A 54 4.406 3.019 5.627 1.00 0.00 C ATOM 0 H LEU A 54 8.123 1.766 8.670 1.00 0.00 H new ATOM 0 HA LEU A 54 7.513 1.481 5.907 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.221 2.246 8.292 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.152 3.662 7.262 1.00 0.00 H new ATOM 0 HG LEU A 54 5.461 1.178 5.850 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.248 0.929 6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.569 0.572 8.044 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.708 2.127 8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.568 2.568 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.042 3.832 6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.124 3.410 4.906 1.00 0.00 H new ATOM 883 N LEU A 55 8.802 4.323 6.946 1.00 0.00 N ATOM 884 CA LEU A 55 9.469 5.544 6.501 1.00 0.00 C ATOM 885 C LEU A 55 10.691 5.212 5.653 1.00 0.00 C ATOM 886 O LEU A 55 11.138 6.026 4.845 1.00 0.00 O ATOM 887 CB LEU A 55 9.883 6.425 7.687 1.00 0.00 C ATOM 888 CG LEU A 55 10.266 5.681 8.973 1.00 0.00 C ATOM 889 CD1 LEU A 55 11.751 5.818 9.260 1.00 0.00 C ATOM 890 CD2 LEU A 55 9.438 6.184 10.149 1.00 0.00 C ATOM 0 H LEU A 55 8.771 4.202 7.958 1.00 0.00 H new ATOM 0 HA LEU A 55 8.754 6.101 5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.729 7.040 7.380 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.061 7.104 7.914 1.00 0.00 H new ATOM 0 HG LEU A 55 10.050 4.622 8.830 1.00 0.00 H new ATOM 0 HD11 LEU A 55 11.995 5.281 10.177 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.322 5.399 8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.003 6.872 9.378 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.724 5.645 11.052 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.617 7.250 10.291 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.380 6.018 9.947 1.00 0.00 H new ATOM 902 N GLU A 56 11.225 4.009 5.838 1.00 0.00 N ATOM 903 CA GLU A 56 12.393 3.570 5.084 1.00 0.00 C ATOM 904 C GLU A 56 12.017 3.246 3.644 1.00 0.00 C ATOM 905 O GLU A 56 12.848 3.334 2.740 1.00 0.00 O ATOM 906 CB GLU A 56 13.032 2.350 5.750 1.00 0.00 C ATOM 907 CG GLU A 56 13.915 2.697 6.937 1.00 0.00 C ATOM 908 CD GLU A 56 15.386 2.751 6.574 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.730 3.444 5.594 1.00 0.00 O ATOM 910 OE2 GLU A 56 16.193 2.099 7.269 1.00 0.00 O ATOM 0 H GLU A 56 10.868 3.322 6.502 1.00 0.00 H new ATOM 0 HA GLU A 56 13.117 4.385 5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.244 1.672 6.080 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.626 1.813 5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.609 3.661 7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.766 1.958 7.724 1.00 0.00 H new ATOM 917 N GLU A 57 10.758 2.884 3.436 1.00 0.00 N ATOM 918 CA GLU A 57 10.269 2.563 2.100 1.00 0.00 C ATOM 919 C GLU A 57 9.733 3.813 1.421 1.00 0.00 C ATOM 920 O GLU A 57 9.691 3.899 0.194 1.00 0.00 O ATOM 921 CB GLU A 57 9.186 1.484 2.163 1.00 0.00 C ATOM 922 CG GLU A 57 9.495 0.368 3.147 1.00 0.00 C ATOM 923 CD GLU A 57 10.538 -0.600 2.624 1.00 0.00 C ATOM 924 OE1 GLU A 57 10.173 -1.496 1.835 1.00 0.00 O ATOM 925 OE2 GLU A 57 11.720 -0.461 3.003 1.00 0.00 O ATOM 0 H GLU A 57 10.057 2.805 4.173 1.00 0.00 H new ATOM 0 HA GLU A 57 11.102 2.176 1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.239 1.948 2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.054 1.055 1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.845 0.802 4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.578 -0.178 3.371 1.00 0.00 H new ATOM 932 N ILE A 58 9.357 4.795 2.229 1.00 0.00 N ATOM 933 CA ILE A 58 8.862 6.055 1.707 1.00 0.00 C ATOM 934 C ILE A 58 10.038 6.980 1.427 1.00 0.00 C ATOM 935 O ILE A 58 9.945 7.895 0.608 1.00 0.00 O ATOM 936 CB ILE A 58 7.879 6.745 2.674 1.00 0.00 C ATOM 937 CG1 ILE A 58 6.916 5.716 3.293 1.00 0.00 C ATOM 938 CG2 ILE A 58 7.113 7.841 1.944 1.00 0.00 C ATOM 939 CD1 ILE A 58 5.544 5.679 2.649 1.00 0.00 C ATOM 0 H ILE A 58 9.386 4.741 3.247 1.00 0.00 H new ATOM 0 HA ILE A 58 8.317 5.841 0.788 1.00 0.00 H new ATOM 0 HB ILE A 58 8.445 7.202 3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.365 4.726 3.220 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.801 5.936 4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.421 8.323 2.635 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.815 8.580 1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.554 7.405 1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.929 4.928 3.145 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.071 6.656 2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.644 5.426 1.593 1.00 0.00 H new ATOM 951 N LYS A 59 11.158 6.712 2.099 1.00 0.00 N ATOM 952 CA LYS A 59 12.368 7.494 1.910 1.00 0.00 C ATOM 953 C LYS A 59 12.934 7.230 0.522 1.00 0.00 C ATOM 954 O LYS A 59 13.524 8.113 -0.100 1.00 0.00 O ATOM 955 CB LYS A 59 13.405 7.144 2.979 1.00 0.00 C ATOM 956 CG LYS A 59 14.578 8.111 3.030 1.00 0.00 C ATOM 957 CD LYS A 59 14.720 8.748 4.403 1.00 0.00 C ATOM 958 CE LYS A 59 15.765 8.034 5.245 1.00 0.00 C ATOM 959 NZ LYS A 59 15.145 7.136 6.258 1.00 0.00 N ATOM 0 H LYS A 59 11.247 5.957 2.779 1.00 0.00 H new ATOM 0 HA LYS A 59 12.124 8.552 2.004 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.918 7.126 3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.782 6.138 2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.497 7.582 2.777 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.441 8.890 2.280 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.996 9.797 4.292 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.759 8.724 4.917 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.418 7.452 4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.391 8.771 5.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.892 6.668 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.542 7.695 6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.568 6.416 5.777 1.00 0.00 H new ATOM 973 N ASN A 60 12.734 6.005 0.034 1.00 0.00 N ATOM 974 CA ASN A 60 13.205 5.624 -1.285 1.00 0.00 C ATOM 975 C ASN A 60 12.111 5.845 -2.328 1.00 0.00 C ATOM 976 O ASN A 60 12.072 5.169 -3.356 1.00 0.00 O ATOM 977 CB ASN A 60 13.649 4.160 -1.292 1.00 0.00 C ATOM 978 CG ASN A 60 15.113 3.998 -0.932 1.00 0.00 C ATOM 979 OD1 ASN A 60 15.899 4.940 -1.040 1.00 0.00 O ATOM 980 ND2 ASN A 60 15.488 2.799 -0.502 1.00 0.00 N ATOM 0 H ASN A 60 12.248 5.264 0.538 1.00 0.00 H new ATOM 0 HA ASN A 60 14.060 6.251 -1.537 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.040 3.595 -0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.471 3.734 -2.279 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.461 2.630 -0.246 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.803 2.047 -0.428 1.00 0.00 H new ATOM 987 N HIS A 61 11.222 6.796 -2.050 1.00 0.00 N ATOM 988 CA HIS A 61 10.124 7.112 -2.950 1.00 0.00 C ATOM 989 C HIS A 61 9.468 8.433 -2.552 1.00 0.00 C ATOM 990 O HIS A 61 8.259 8.496 -2.327 1.00 0.00 O ATOM 991 CB HIS A 61 9.087 5.987 -2.936 1.00 0.00 C ATOM 992 CG HIS A 61 8.275 5.904 -4.191 1.00 0.00 C ATOM 993 ND1 HIS A 61 8.761 5.379 -5.370 1.00 0.00 N ATOM 994 CD2 HIS A 61 7.000 6.285 -4.448 1.00 0.00 C ATOM 995 CE1 HIS A 61 7.822 5.442 -6.298 1.00 0.00 C ATOM 996 NE2 HIS A 61 6.744 5.986 -5.763 1.00 0.00 N ATOM 0 H HIS A 61 11.244 7.362 -1.202 1.00 0.00 H new ATOM 0 HA HIS A 61 10.524 7.212 -3.959 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.597 5.036 -2.780 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.417 6.133 -2.089 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.314 6.739 -3.749 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.920 5.106 -7.320 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.863 6.156 -6.249 1.00 0.00 H new ATOM 1005 N ALA A 62 10.278 9.486 -2.464 1.00 0.00 N ATOM 1006 CA ALA A 62 9.787 10.810 -2.089 1.00 0.00 C ATOM 1007 C ALA A 62 9.509 10.891 -0.591 1.00 0.00 C ATOM 1008 O ALA A 62 8.468 10.437 -0.117 1.00 0.00 O ATOM 1009 CB ALA A 62 8.533 11.162 -2.880 1.00 0.00 C ATOM 0 H ALA A 62 11.281 9.447 -2.648 1.00 0.00 H new ATOM 0 HA ALA A 62 10.566 11.534 -2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.183 12.152 -2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.762 11.160 -3.946 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.755 10.427 -2.675 1.00 0.00 H new ATOM 1015 N LYS A 63 10.448 11.475 0.149 1.00 0.00 N ATOM 1016 CA LYS A 63 10.307 11.619 1.594 1.00 0.00 C ATOM 1017 C LYS A 63 9.347 12.753 1.938 1.00 0.00 C ATOM 1018 O LYS A 63 9.770 13.848 2.307 1.00 0.00 O ATOM 1019 CB LYS A 63 11.670 11.882 2.239 1.00 0.00 C ATOM 1020 CG LYS A 63 12.761 10.935 1.766 1.00 0.00 C ATOM 1021 CD LYS A 63 14.035 11.684 1.407 1.00 0.00 C ATOM 1022 CE LYS A 63 14.744 11.044 0.224 1.00 0.00 C ATOM 1023 NZ LYS A 63 15.717 10.003 0.655 1.00 0.00 N ATOM 0 H LYS A 63 11.315 11.856 -0.229 1.00 0.00 H new ATOM 0 HA LYS A 63 9.899 10.687 1.986 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.972 12.907 2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.572 11.799 3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.975 10.206 2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.409 10.378 0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.794 12.721 1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 63 14.704 11.700 2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.006 10.597 -0.443 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.265 11.813 -0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.619 10.143 0.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.874 10.077 1.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.339 9.060 0.430 1.00 0.00 H new ATOM 1092 N ARG A 68 5.481 17.468 6.191 1.00 0.00 N ATOM 1093 CA ARG A 68 6.180 17.418 7.471 1.00 0.00 C ATOM 1094 C ARG A 68 6.962 16.121 7.614 1.00 0.00 C ATOM 1095 O ARG A 68 8.191 16.122 7.674 1.00 0.00 O ATOM 1096 CB ARG A 68 5.186 17.559 8.625 1.00 0.00 C ATOM 1097 CG ARG A 68 4.603 18.956 8.758 1.00 0.00 C ATOM 1098 CD ARG A 68 4.356 19.321 10.213 1.00 0.00 C ATOM 1099 NE ARG A 68 5.519 19.962 10.822 1.00 0.00 N ATOM 1100 CZ ARG A 68 5.704 20.067 12.136 1.00 0.00 C ATOM 1101 NH1 ARG A 68 4.806 19.577 12.982 1.00 0.00 N ATOM 1102 NH2 ARG A 68 6.791 20.664 12.607 1.00 0.00 N ATOM 0 HA ARG A 68 6.884 18.250 7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.373 16.847 8.482 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.684 17.292 9.557 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.285 19.680 8.311 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.667 19.015 8.203 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.498 19.990 10.278 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.102 18.422 10.774 1.00 0.00 H new ATOM 0 HE ARG A 68 6.231 20.352 10.204 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.968 19.117 12.626 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.954 19.661 13.988 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.485 21.043 11.962 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.933 20.745 13.614 1.00 0.00 H new ATOM 1116 N ASN A 69 6.234 15.022 7.667 1.00 0.00 N ATOM 1117 CA ASN A 69 6.838 13.701 7.803 1.00 0.00 C ATOM 1118 C ASN A 69 6.055 12.664 7.005 1.00 0.00 C ATOM 1119 O ASN A 69 5.113 13.003 6.288 1.00 0.00 O ATOM 1120 CB ASN A 69 6.895 13.292 9.276 1.00 0.00 C ATOM 1121 CG ASN A 69 7.552 14.348 10.144 1.00 0.00 C ATOM 1122 OD1 ASN A 69 6.762 15.311 10.603 1.00 0.00 O flip ATOM 1123 ND2 ASN A 69 8.755 14.298 10.399 1.00 0.00 N flip ATOM 0 H ASN A 69 5.215 15.014 7.618 1.00 0.00 H new ATOM 0 HA ASN A 69 7.853 13.749 7.408 1.00 0.00 H new ATOM 0 HB2 ASN A 69 5.884 13.106 9.638 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.445 12.355 9.369 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.325 13.539 10.025 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.182 15.015 10.985 1.00 0.00 H new ATOM 1130 N VAL A 70 6.447 11.400 7.131 1.00 0.00 N ATOM 1131 CA VAL A 70 5.774 10.322 6.417 1.00 0.00 C ATOM 1132 C VAL A 70 4.419 10.005 7.043 1.00 0.00 C ATOM 1133 O VAL A 70 3.532 9.463 6.385 1.00 0.00 O ATOM 1134 CB VAL A 70 6.633 9.041 6.373 1.00 0.00 C ATOM 1135 CG1 VAL A 70 6.828 8.461 7.766 1.00 0.00 C ATOM 1136 CG2 VAL A 70 6.007 8.012 5.444 1.00 0.00 C ATOM 0 H VAL A 70 7.224 11.098 7.719 1.00 0.00 H new ATOM 0 HA VAL A 70 5.621 10.672 5.396 1.00 0.00 H new ATOM 0 HB VAL A 70 7.616 9.307 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.437 7.559 7.703 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.329 9.194 8.398 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.858 8.214 8.196 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.626 7.115 5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.010 7.757 5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.936 8.425 4.438 1.00 0.00 H new ATOM 1146 N ASP A 71 4.264 10.353 8.315 1.00 0.00 N ATOM 1147 CA ASP A 71 3.014 10.110 9.024 1.00 0.00 C ATOM 1148 C ASP A 71 1.963 11.130 8.614 1.00 0.00 C ATOM 1149 O ASP A 71 0.775 10.819 8.532 1.00 0.00 O ATOM 1150 CB ASP A 71 3.237 10.156 10.538 1.00 0.00 C ATOM 1151 CG ASP A 71 2.885 8.845 11.214 1.00 0.00 C ATOM 1152 OD1 ASP A 71 1.678 8.558 11.361 1.00 0.00 O ATOM 1153 OD2 ASP A 71 3.815 8.105 11.596 1.00 0.00 O ATOM 0 H ASP A 71 4.987 10.804 8.876 1.00 0.00 H new ATOM 0 HA ASP A 71 2.656 9.116 8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.280 10.398 10.742 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.634 10.956 10.967 1.00 0.00 H new ATOM 1158 N VAL A 72 2.416 12.343 8.341 1.00 0.00 N ATOM 1159 CA VAL A 72 1.523 13.411 7.917 1.00 0.00 C ATOM 1160 C VAL A 72 0.999 13.138 6.515 1.00 0.00 C ATOM 1161 O VAL A 72 -0.079 13.598 6.140 1.00 0.00 O ATOM 1162 CB VAL A 72 2.226 14.782 7.940 1.00 0.00 C ATOM 1163 CG1 VAL A 72 1.231 15.898 7.663 1.00 0.00 C ATOM 1164 CG2 VAL A 72 2.926 15.000 9.273 1.00 0.00 C ATOM 0 H VAL A 72 3.397 12.613 8.405 1.00 0.00 H new ATOM 0 HA VAL A 72 0.692 13.438 8.622 1.00 0.00 H new ATOM 0 HB VAL A 72 2.980 14.797 7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.746 16.858 7.683 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.781 15.749 6.682 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.452 15.888 8.425 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.417 15.973 9.271 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.193 14.965 10.079 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.670 14.218 9.425 1.00 0.00 H new ATOM 1174 N HIS A 73 1.767 12.369 5.753 1.00 0.00 N ATOM 1175 CA HIS A 73 1.382 12.010 4.396 1.00 0.00 C ATOM 1176 C HIS A 73 0.187 11.066 4.420 1.00 0.00 C ATOM 1177 O HIS A 73 -0.598 11.014 3.473 1.00 0.00 O ATOM 1178 CB HIS A 73 2.558 11.357 3.664 1.00 0.00 C ATOM 1179 CG HIS A 73 3.132 12.210 2.576 1.00 0.00 C ATOM 1180 ND1 HIS A 73 3.259 13.580 2.680 1.00 0.00 N ATOM 1181 CD2 HIS A 73 3.613 11.881 1.353 1.00 0.00 C ATOM 1182 CE1 HIS A 73 3.791 14.056 1.568 1.00 0.00 C ATOM 1183 NE2 HIS A 73 4.016 13.046 0.749 1.00 0.00 N ATOM 0 H HIS A 73 2.662 11.982 6.053 1.00 0.00 H new ATOM 0 HA HIS A 73 1.101 12.918 3.862 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.342 11.126 4.385 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.229 10.410 3.237 1.00 0.00 H new ATOM 0 HD1 HIS A 73 2.985 14.138 3.489 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.669 10.888 0.932 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.005 15.095 1.364 1.00 0.00 H new ATOM 1192 N ILE A 74 0.054 10.325 5.515 1.00 0.00 N ATOM 1193 CA ILE A 74 -1.049 9.387 5.671 1.00 0.00 C ATOM 1194 C ILE A 74 -2.378 10.125 5.731 1.00 0.00 C ATOM 1195 O ILE A 74 -3.400 9.634 5.252 1.00 0.00 O ATOM 1196 CB ILE A 74 -0.888 8.531 6.947 1.00 0.00 C ATOM 1197 CG1 ILE A 74 0.409 7.724 6.887 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -2.084 7.605 7.130 1.00 0.00 C ATOM 1199 CD1 ILE A 74 0.411 6.664 5.809 1.00 0.00 C ATOM 0 H ILE A 74 0.697 10.357 6.307 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.035 8.728 4.803 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.841 9.201 7.805 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.243 8.405 6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.577 7.248 7.853 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.950 7.012 8.034 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.994 8.199 7.217 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.165 6.941 6.269 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.362 6.131 5.825 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.402 5.961 5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.275 7.135 4.835 1.00 0.00 H new ATOM 1211 N ALA A 75 -2.352 11.306 6.329 1.00 0.00 N ATOM 1212 CA ALA A 75 -3.550 12.121 6.463 1.00 0.00 C ATOM 1213 C ALA A 75 -3.959 12.721 5.128 1.00 0.00 C ATOM 1214 O ALA A 75 -5.144 12.909 4.855 1.00 0.00 O ATOM 1215 CB ALA A 75 -3.336 13.215 7.498 1.00 0.00 C ATOM 0 H ALA A 75 -1.512 11.723 6.730 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.360 11.475 6.801 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.242 13.815 7.586 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.105 12.763 8.463 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.507 13.852 7.188 1.00 0.00 H new ATOM 1221 N SER A 76 -2.971 13.009 4.297 1.00 0.00 N ATOM 1222 CA SER A 76 -3.229 13.578 2.981 1.00 0.00 C ATOM 1223 C SER A 76 -3.735 12.504 2.037 1.00 0.00 C ATOM 1224 O SER A 76 -4.551 12.769 1.154 1.00 0.00 O ATOM 1225 CB SER A 76 -1.967 14.231 2.416 1.00 0.00 C ATOM 1226 OG SER A 76 -1.140 14.728 3.454 1.00 0.00 O ATOM 0 H SER A 76 -1.984 12.859 4.508 1.00 0.00 H new ATOM 0 HA SER A 76 -3.995 14.347 3.082 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.413 13.504 1.822 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.244 15.045 1.746 1.00 0.00 H new ATOM 0 HG SER A 76 -0.339 15.139 3.066 1.00 0.00 H new ATOM 1232 N LEU A 77 -3.262 11.285 2.244 1.00 0.00 N ATOM 1233 CA LEU A 77 -3.687 10.165 1.426 1.00 0.00 C ATOM 1234 C LEU A 77 -5.151 9.870 1.691 1.00 0.00 C ATOM 1235 O LEU A 77 -5.897 9.498 0.788 1.00 0.00 O ATOM 1236 CB LEU A 77 -2.835 8.927 1.714 1.00 0.00 C ATOM 1237 CG LEU A 77 -3.323 7.639 1.048 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -3.429 7.824 -0.458 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -2.394 6.481 1.384 1.00 0.00 C ATOM 0 H LEU A 77 -2.586 11.048 2.970 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.556 10.427 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.814 9.123 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.801 8.771 2.792 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.315 7.405 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.777 6.898 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.135 8.625 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.450 8.082 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.756 5.573 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.389 6.705 1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.371 6.334 2.464 1.00 0.00 H new ATOM 1251 N ARG A 78 -5.556 10.062 2.938 1.00 0.00 N ATOM 1252 CA ARG A 78 -6.938 9.838 3.335 1.00 0.00 C ATOM 1253 C ARG A 78 -7.874 10.729 2.526 1.00 0.00 C ATOM 1254 O ARG A 78 -9.062 10.437 2.389 1.00 0.00 O ATOM 1255 CB ARG A 78 -7.113 10.107 4.832 1.00 0.00 C ATOM 1256 CG ARG A 78 -7.579 8.893 5.618 1.00 0.00 C ATOM 1257 CD ARG A 78 -7.193 8.999 7.084 1.00 0.00 C ATOM 1258 NE ARG A 78 -7.973 8.093 7.925 1.00 0.00 N ATOM 1259 CZ ARG A 78 -9.216 8.344 8.330 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -9.824 9.469 7.974 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -9.853 7.467 9.094 1.00 0.00 N ATOM 0 H ARG A 78 -4.946 10.373 3.694 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.190 8.796 3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.165 10.454 5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.833 10.914 4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.661 8.795 5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.142 7.991 5.190 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.132 8.774 7.196 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.339 10.024 7.424 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.540 7.218 8.219 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.339 10.147 7.387 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.777 9.655 8.288 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.390 6.601 9.371 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.805 7.658 9.405 1.00 0.00 H new ATOM 1275 N LYS A 79 -7.328 11.817 1.990 1.00 0.00 N ATOM 1276 CA LYS A 79 -8.114 12.750 1.193 1.00 0.00 C ATOM 1277 C LYS A 79 -8.563 12.109 -0.111 1.00 0.00 C ATOM 1278 O LYS A 79 -9.738 12.164 -0.474 1.00 0.00 O ATOM 1279 CB LYS A 79 -7.307 14.017 0.905 1.00 0.00 C ATOM 1280 CG LYS A 79 -8.163 15.204 0.494 1.00 0.00 C ATOM 1281 CD LYS A 79 -7.340 16.263 -0.221 1.00 0.00 C ATOM 1282 CE LYS A 79 -6.747 17.263 0.758 1.00 0.00 C ATOM 1283 NZ LYS A 79 -5.483 17.861 0.246 1.00 0.00 N ATOM 0 H LYS A 79 -6.346 12.073 2.094 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.001 13.018 1.766 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.735 14.283 1.794 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.588 13.807 0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.968 14.865 -0.158 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.631 15.640 1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.539 15.784 -0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.967 16.787 -0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.471 18.055 0.951 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.555 16.768 1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.111 18.537 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.783 17.109 0.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.671 18.355 -0.650 1.00 0.00 H new ATOM 1297 N LYS A 80 -7.618 11.505 -0.809 1.00 0.00 N ATOM 1298 CA LYS A 80 -7.900 10.851 -2.076 1.00 0.00 C ATOM 1299 C LYS A 80 -8.272 9.390 -1.867 1.00 0.00 C ATOM 1300 O LYS A 80 -9.238 8.890 -2.444 1.00 0.00 O ATOM 1301 CB LYS A 80 -6.696 10.963 -3.013 1.00 0.00 C ATOM 1302 CG LYS A 80 -6.809 12.107 -4.009 1.00 0.00 C ATOM 1303 CD LYS A 80 -5.625 13.056 -3.908 1.00 0.00 C ATOM 1304 CE LYS A 80 -5.773 14.234 -4.858 1.00 0.00 C ATOM 1305 NZ LYS A 80 -5.114 13.978 -6.168 1.00 0.00 N ATOM 0 H LYS A 80 -6.642 11.453 -0.518 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.751 11.355 -2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.793 11.098 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.581 10.026 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.869 11.705 -5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.733 12.657 -3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.536 13.421 -2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.705 12.517 -4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.831 14.440 -5.018 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.340 15.124 -4.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.799 14.879 -6.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.293 13.355 -6.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.789 13.520 -6.813 1.00 0.00 H new ATOM 1319 N LEU A 81 -7.494 8.718 -1.038 1.00 0.00 N ATOM 1320 CA LEU A 81 -7.721 7.309 -0.734 1.00 0.00 C ATOM 1321 C LEU A 81 -9.059 7.109 -0.027 1.00 0.00 C ATOM 1322 O LEU A 81 -9.999 6.560 -0.604 1.00 0.00 O ATOM 1323 CB LEU A 81 -6.580 6.773 0.133 1.00 0.00 C ATOM 1324 CG LEU A 81 -6.753 5.342 0.637 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -6.880 4.373 -0.527 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -5.583 4.957 1.528 1.00 0.00 C ATOM 0 H LEU A 81 -6.692 9.126 -0.558 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.749 6.756 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.655 6.828 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.461 7.431 0.994 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.671 5.289 1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.002 3.359 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.748 4.641 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.981 4.423 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.716 3.935 1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.655 5.026 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.538 5.634 2.381 1.00 0.00 H new ATOM 1338 N GLY A 82 -9.143 7.561 1.221 1.00 0.00 N ATOM 1339 CA GLY A 82 -10.377 7.424 1.976 1.00 0.00 C ATOM 1340 C GLY A 82 -10.185 6.706 3.300 1.00 0.00 C ATOM 1341 O GLY A 82 -9.201 6.935 4.003 1.00 0.00 O ATOM 0 H GLY A 82 -8.381 8.018 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.794 8.414 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.105 6.879 1.376 1.00 0.00 H new ATOM 1345 N ALA A 83 -11.136 5.839 3.639 1.00 0.00 N ATOM 1346 CA ALA A 83 -11.082 5.084 4.888 1.00 0.00 C ATOM 1347 C ALA A 83 -9.988 4.017 4.860 1.00 0.00 C ATOM 1348 O ALA A 83 -9.678 3.411 5.885 1.00 0.00 O ATOM 1349 CB ALA A 83 -12.433 4.445 5.171 1.00 0.00 C ATOM 0 H ALA A 83 -11.955 5.642 3.064 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.838 5.783 5.688 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.382 3.884 6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.193 5.222 5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.694 3.770 4.356 1.00 0.00 H new ATOM 1355 N TYR A 84 -9.404 3.793 3.686 1.00 0.00 N ATOM 1356 CA TYR A 84 -8.349 2.808 3.536 1.00 0.00 C ATOM 1357 C TYR A 84 -7.060 3.333 4.141 1.00 0.00 C ATOM 1358 O TYR A 84 -6.279 2.574 4.704 1.00 0.00 O ATOM 1359 CB TYR A 84 -8.145 2.459 2.061 1.00 0.00 C ATOM 1360 CG TYR A 84 -9.432 2.138 1.334 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -10.199 3.146 0.763 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -9.880 0.828 1.221 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -11.377 2.857 0.100 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -11.056 0.531 0.559 1.00 0.00 C ATOM 1365 CZ TYR A 84 -11.801 1.549 0.001 1.00 0.00 C ATOM 1366 OH TYR A 84 -12.973 1.257 -0.657 1.00 0.00 O ATOM 0 H TYR A 84 -9.648 4.284 2.826 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.641 1.900 4.063 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -7.654 3.295 1.563 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.472 1.604 1.988 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.870 4.172 0.838 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -9.300 0.029 1.658 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -11.962 3.652 -0.338 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.390 -0.493 0.479 1.00 0.00 H new ATOM 0 HH TYR A 84 -13.127 0.289 -0.637 1.00 0.00 H new ATOM 1376 N GLY A 85 -6.850 4.643 4.045 1.00 0.00 N ATOM 1377 CA GLY A 85 -5.657 5.234 4.621 1.00 0.00 C ATOM 1378 C GLY A 85 -5.541 4.895 6.087 1.00 0.00 C ATOM 1379 O GLY A 85 -4.441 4.779 6.627 1.00 0.00 O ATOM 0 H GLY A 85 -7.479 5.300 3.583 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.776 4.875 4.090 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.686 6.316 4.495 1.00 0.00 H new ATOM 1383 N SER A 86 -6.693 4.712 6.726 1.00 0.00 N ATOM 1384 CA SER A 86 -6.737 4.357 8.132 1.00 0.00 C ATOM 1385 C SER A 86 -6.195 2.946 8.338 1.00 0.00 C ATOM 1386 O SER A 86 -5.913 2.544 9.466 1.00 0.00 O ATOM 1387 CB SER A 86 -8.169 4.451 8.662 1.00 0.00 C ATOM 1388 OG SER A 86 -8.182 4.770 10.043 1.00 0.00 O ATOM 0 H SER A 86 -7.609 4.805 6.286 1.00 0.00 H new ATOM 0 HA SER A 86 -6.113 5.059 8.685 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.717 5.211 8.105 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.683 3.504 8.500 1.00 0.00 H new ATOM 0 HG SER A 86 -9.109 4.826 10.357 1.00 0.00 H new ATOM 1394 N ARG A 87 -6.044 2.194 7.239 1.00 0.00 N ATOM 1395 CA ARG A 87 -5.526 0.832 7.312 1.00 0.00 C ATOM 1396 C ARG A 87 -4.317 0.759 8.236 1.00 0.00 C ATOM 1397 O ARG A 87 -4.072 -0.262 8.878 1.00 0.00 O ATOM 1398 CB ARG A 87 -5.147 0.328 5.928 1.00 0.00 C ATOM 1399 CG ARG A 87 -6.146 -0.668 5.375 1.00 0.00 C ATOM 1400 CD ARG A 87 -7.540 -0.070 5.278 1.00 0.00 C ATOM 1401 NE ARG A 87 -8.565 -0.994 5.759 1.00 0.00 N ATOM 1402 CZ ARG A 87 -9.782 -0.617 6.146 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -10.131 0.663 6.110 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -10.653 -1.522 6.569 1.00 0.00 N ATOM 0 H ARG A 87 -6.273 2.509 6.296 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.314 0.197 7.717 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.069 1.175 5.246 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.162 -0.137 5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.822 -0.999 4.388 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.172 -1.551 6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.581 0.851 5.859 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.749 0.197 4.242 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.334 -1.987 5.801 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.465 1.364 5.785 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.065 0.946 6.408 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.391 -2.507 6.598 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.585 -1.233 6.865 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.568 1.857 8.303 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.393 1.928 9.151 1.00 0.00 C ATOM 1420 C ILE A 88 -2.754 1.626 10.603 1.00 0.00 C ATOM 1421 O ILE A 88 -3.088 2.529 11.370 1.00 0.00 O ATOM 1422 CB ILE A 88 -1.739 3.320 9.073 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -2.803 4.423 9.078 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -0.856 3.429 7.839 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -2.574 5.478 10.139 1.00 0.00 C ATOM 0 H ILE A 88 -3.759 2.709 7.776 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.686 1.181 8.791 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.112 3.451 9.955 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.823 4.902 8.099 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.783 3.971 9.232 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.403 4.420 7.802 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.072 2.673 7.885 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.459 3.272 6.945 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.364 6.227 10.084 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.583 5.011 11.124 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.609 5.957 9.974 1.00 0.00 H new ATOM 1437 N VAL A 89 -2.696 0.350 10.971 1.00 0.00 N ATOM 1438 CA VAL A 89 -3.030 -0.069 12.326 1.00 0.00 C ATOM 1439 C VAL A 89 -1.801 -0.068 13.229 1.00 0.00 C ATOM 1440 O VAL A 89 -0.819 -0.761 12.963 1.00 0.00 O ATOM 1441 CB VAL A 89 -3.662 -1.476 12.334 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -4.063 -1.884 13.745 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -4.859 -1.525 11.397 1.00 0.00 C ATOM 0 H VAL A 89 -2.421 -0.411 10.350 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.752 0.652 12.710 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.917 -2.188 11.979 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.506 -2.880 13.724 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.181 -1.893 14.386 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.789 -1.172 14.137 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.294 -2.524 11.414 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.605 -0.799 11.721 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.537 -1.286 10.383 1.00 0.00 H new ATOM 1453 N THR A 90 -1.870 0.709 14.305 1.00 0.00 N ATOM 1454 CA THR A 90 -0.772 0.795 15.259 1.00 0.00 C ATOM 1455 C THR A 90 -0.971 -0.213 16.385 1.00 0.00 C ATOM 1456 O THR A 90 -1.525 0.113 17.435 1.00 0.00 O ATOM 1457 CB THR A 90 -0.673 2.209 15.833 1.00 0.00 C ATOM 1458 OG1 THR A 90 -1.027 3.173 14.857 1.00 0.00 O ATOM 1459 CG2 THR A 90 0.712 2.553 16.337 1.00 0.00 C ATOM 0 H THR A 90 -2.676 1.289 14.538 1.00 0.00 H new ATOM 0 HA THR A 90 0.157 0.563 14.738 1.00 0.00 H new ATOM 0 HB THR A 90 -1.365 2.228 16.675 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.423 3.098 14.089 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.714 3.569 16.731 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.995 1.857 17.127 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.426 2.481 15.517 1.00 0.00 H new ATOM 1467 N LEU A 91 -0.526 -1.442 16.152 1.00 0.00 N ATOM 1468 CA LEU A 91 -0.663 -2.507 17.138 1.00 0.00 C ATOM 1469 C LEU A 91 0.245 -2.267 18.339 1.00 0.00 C ATOM 1470 O LEU A 91 1.469 -2.245 18.211 1.00 0.00 O ATOM 1471 CB LEU A 91 -0.338 -3.859 16.500 1.00 0.00 C ATOM 1472 CG LEU A 91 -1.523 -4.563 15.837 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -1.060 -5.365 14.630 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -2.237 -5.461 16.835 1.00 0.00 C ATOM 0 H LEU A 91 -0.066 -1.726 15.287 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.695 -2.512 17.488 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.443 -3.713 15.753 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.073 -4.516 17.267 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.227 -3.804 15.495 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.916 -5.859 14.171 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.595 -4.696 13.905 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.336 -6.115 14.948 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.077 -5.953 16.345 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.543 -6.214 17.209 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.604 -4.860 17.667 1.00 0.00 H new ATOM 1486 N ARG A 92 -0.364 -2.092 19.508 1.00 0.00 N ATOM 1487 CA ARG A 92 0.389 -1.861 20.734 1.00 0.00 C ATOM 1488 C ARG A 92 1.128 -3.128 21.152 1.00 0.00 C ATOM 1489 O ARG A 92 0.780 -3.766 22.146 1.00 0.00 O ATOM 1490 CB ARG A 92 -0.547 -1.403 21.855 1.00 0.00 C ATOM 1491 CG ARG A 92 -1.240 -0.081 21.567 1.00 0.00 C ATOM 1492 CD ARG A 92 -0.256 1.079 21.581 1.00 0.00 C ATOM 1493 NE ARG A 92 -0.630 2.124 20.631 1.00 0.00 N ATOM 1494 CZ ARG A 92 -1.580 3.027 20.858 1.00 0.00 C ATOM 1495 NH1 ARG A 92 -2.253 3.018 22.002 1.00 0.00 N ATOM 1496 NH2 ARG A 92 -1.858 3.943 19.940 1.00 0.00 N ATOM 0 H ARG A 92 -1.376 -2.106 19.631 1.00 0.00 H new ATOM 0 HA ARG A 92 1.121 -1.076 20.546 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -1.302 -2.171 22.023 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.024 -1.311 22.779 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.732 -0.131 20.595 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.019 0.092 22.310 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -0.208 1.502 22.585 1.00 0.00 H new ATOM 0 HD3 ARG A 92 0.742 0.711 21.342 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.133 2.164 19.741 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.043 2.316 22.712 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.981 3.713 22.171 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.343 3.955 19.059 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.587 4.635 20.115 1.00 0.00 H new ATOM 1510 N GLY A 93 2.145 -3.487 20.378 1.00 0.00 N ATOM 1511 CA GLY A 93 2.920 -4.677 20.668 1.00 0.00 C ATOM 1512 C GLY A 93 3.473 -5.317 19.411 1.00 0.00 C ATOM 1513 O GLY A 93 4.528 -5.949 19.439 1.00 0.00 O ATOM 0 H GLY A 93 2.447 -2.972 19.551 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.743 -4.420 21.335 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.294 -5.397 21.196 1.00 0.00 H new ATOM 1517 N VAL A 94 2.758 -5.145 18.303 1.00 0.00 N ATOM 1518 CA VAL A 94 3.182 -5.703 17.025 1.00 0.00 C ATOM 1519 C VAL A 94 3.917 -4.657 16.197 1.00 0.00 C ATOM 1520 O VAL A 94 4.953 -4.940 15.597 1.00 0.00 O ATOM 1521 CB VAL A 94 1.988 -6.235 16.207 1.00 0.00 C ATOM 1522 CG1 VAL A 94 2.475 -7.151 15.096 1.00 0.00 C ATOM 1523 CG2 VAL A 94 0.987 -6.955 17.101 1.00 0.00 C ATOM 0 H VAL A 94 1.882 -4.623 18.265 1.00 0.00 H new ATOM 0 HA VAL A 94 3.850 -6.534 17.251 1.00 0.00 H new ATOM 0 HB VAL A 94 1.478 -5.384 15.756 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.621 -7.519 14.527 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.141 -6.598 14.434 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.013 -7.994 15.529 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.156 -7.319 16.497 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.476 -7.797 17.590 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.611 -6.265 17.856 1.00 0.00 H new ATOM 1533 N GLY A 95 3.371 -3.444 16.170 1.00 0.00 N ATOM 1534 CA GLY A 95 3.986 -2.369 15.415 1.00 0.00 C ATOM 1535 C GLY A 95 3.006 -1.668 14.496 1.00 0.00 C ATOM 1536 O GLY A 95 2.083 -0.996 14.956 1.00 0.00 O ATOM 0 H GLY A 95 2.513 -3.188 16.658 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.413 -1.643 16.106 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.810 -2.770 14.824 1.00 0.00 H new ATOM 1540 N TYR A 96 3.211 -1.822 13.193 1.00 0.00 N ATOM 1541 CA TYR A 96 2.345 -1.198 12.200 1.00 0.00 C ATOM 1542 C TYR A 96 1.767 -2.241 11.249 1.00 0.00 C ATOM 1543 O TYR A 96 2.480 -2.792 10.411 1.00 0.00 O ATOM 1544 CB TYR A 96 3.126 -0.145 11.410 1.00 0.00 C ATOM 1545 CG TYR A 96 2.455 1.209 11.372 1.00 0.00 C ATOM 1546 CD1 TYR A 96 2.160 1.892 12.545 1.00 0.00 C ATOM 1547 CD2 TYR A 96 2.116 1.805 10.164 1.00 0.00 C ATOM 1548 CE1 TYR A 96 1.546 3.130 12.515 1.00 0.00 C ATOM 1549 CE2 TYR A 96 1.503 3.042 10.126 1.00 0.00 C ATOM 1550 CZ TYR A 96 1.221 3.701 11.303 1.00 0.00 C ATOM 1551 OH TYR A 96 0.610 4.933 11.269 1.00 0.00 O ATOM 0 H TYR A 96 3.972 -2.375 12.799 1.00 0.00 H new ATOM 0 HA TYR A 96 1.519 -0.715 12.722 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.118 -0.037 11.849 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.266 -0.500 10.389 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.415 1.448 13.496 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.335 1.293 9.239 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.322 3.647 13.436 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.246 3.491 9.178 1.00 0.00 H new ATOM 0 HH TYR A 96 0.450 5.193 10.338 1.00 0.00 H new ATOM 1561 N LEU A 97 0.472 -2.512 11.384 1.00 0.00 N ATOM 1562 CA LEU A 97 -0.193 -3.492 10.532 1.00 0.00 C ATOM 1563 C LEU A 97 -1.196 -2.819 9.599 1.00 0.00 C ATOM 1564 O LEU A 97 -1.956 -1.944 10.013 1.00 0.00 O ATOM 1565 CB LEU A 97 -0.904 -4.544 11.387 1.00 0.00 C ATOM 1566 CG LEU A 97 -0.910 -5.960 10.804 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -1.756 -6.887 11.662 1.00 0.00 C ATOM 1568 CD2 LEU A 97 -1.423 -5.949 9.372 1.00 0.00 C ATOM 0 H LEU A 97 -0.136 -2.068 12.073 1.00 0.00 H new ATOM 0 HA LEU A 97 0.569 -3.979 9.924 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.429 -4.574 12.368 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.935 -4.227 11.542 1.00 0.00 H new ATOM 0 HG LEU A 97 0.115 -6.331 10.800 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.748 -7.889 11.232 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.347 -6.922 12.672 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.780 -6.516 11.698 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.419 -6.965 8.976 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.439 -5.556 9.353 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.778 -5.319 8.759 1.00 0.00 H new ATOM 1580 N PHE A 98 -1.194 -3.241 8.340 1.00 0.00 N ATOM 1581 CA PHE A 98 -2.107 -2.690 7.345 1.00 0.00 C ATOM 1582 C PHE A 98 -3.326 -3.593 7.182 1.00 0.00 C ATOM 1583 O PHE A 98 -3.492 -4.254 6.157 1.00 0.00 O ATOM 1584 CB PHE A 98 -1.391 -2.527 6.002 1.00 0.00 C ATOM 1585 CG PHE A 98 -2.100 -1.607 5.049 1.00 0.00 C ATOM 1586 CD1 PHE A 98 -1.873 -0.241 5.086 1.00 0.00 C ATOM 1587 CD2 PHE A 98 -2.991 -2.110 4.115 1.00 0.00 C ATOM 1588 CE1 PHE A 98 -2.523 0.608 4.210 1.00 0.00 C ATOM 1589 CE2 PHE A 98 -3.644 -1.266 3.236 1.00 0.00 C ATOM 1590 CZ PHE A 98 -3.409 0.094 3.283 1.00 0.00 C ATOM 0 H PHE A 98 -0.569 -3.964 7.983 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.441 -1.711 7.688 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.385 -2.147 6.180 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.284 -3.506 5.536 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.180 0.165 5.808 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -3.178 -3.173 4.073 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.339 1.671 4.250 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -4.337 -1.670 2.513 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.917 0.755 2.596 1.00 0.00 H new ATOM 1600 N SER A 99 -4.171 -3.622 8.207 1.00 0.00 N ATOM 1601 CA SER A 99 -5.373 -4.449 8.188 1.00 0.00 C ATOM 1602 C SER A 99 -6.290 -4.064 7.032 1.00 0.00 C ATOM 1603 O SER A 99 -7.127 -3.171 7.163 1.00 0.00 O ATOM 1604 CB SER A 99 -6.126 -4.320 9.513 1.00 0.00 C ATOM 1605 OG SER A 99 -5.246 -4.459 10.616 1.00 0.00 O ATOM 0 H SER A 99 -4.046 -3.082 9.063 1.00 0.00 H new ATOM 0 HA SER A 99 -5.064 -5.485 8.049 1.00 0.00 H new ATOM 0 HB2 SER A 99 -6.622 -3.351 9.560 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.905 -5.080 9.567 1.00 0.00 H new ATOM 0 HG SER A 99 -5.767 -4.563 11.439 1.00 0.00 H new