USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 704 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 11 ASN : amide:sc= -2.62! C(o=-3!,f=-10!) USER MOD Set 1.2: A 17 HIS : no HD1:sc= -1.63! C(o=-3!,f=-6.2!) USER MOD Set 1.3: A 36 SER OG : rot 118:sc= 1.23 USER MOD Set 2.1: A 9 CYS SG : rot 171:sc= 0.479 USER MOD Set 2.2: A 81 CYS SG : rot 71:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0.636 (180deg=0.59) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 130:sc= 0.285 USER MOD Single : A 10 CYS SG : rot 180:sc= 0.0308 USER MOD Single : A 12 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00142) USER MOD Single : A 13 GLN : amide:sc= 0.894 K(o=0.89,f=0) USER MOD Single : A 15 ASN : amide:sc= 1.91 K(o=1.9,f=-0.012) USER MOD Single : A 20 MET CE :methyl 170:sc= -0.317 (180deg=-0.652) USER MOD Single : A 22 CYS SG : rot 78:sc= -1.79 USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= 1.24 (180deg=0.627) USER MOD Single : A 30 MET CE :methyl -163:sc= 0 (180deg=-0.425) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 169:sc= 2.25 (180deg=2.08) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 51 ASN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot -43:sc= -0.145 USER MOD Single : A 57 ASN : amide:sc= 1.16 K(o=1.2,f=-0.02) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.193 X(o=-0.19,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 158:sc= 0.571 (180deg=0.46) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.00758 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00498 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 24:sc= 0.812 USER MOD Single : A 80 GLN : amide:sc= 0.455 K(o=0.45,f=-0.71) USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= 1.21 (180deg=1.15) USER MOD Single : A 86 LYS NZ :NH3+ 159:sc= 1.99 (180deg=1.46) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 1.05 K(o=1,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.869 -1.295 -0.633 1.00 0.00 N ATOM 2 CA MET A 1 3.485 -0.955 -1.933 1.00 0.00 C ATOM 3 C MET A 1 4.643 0.006 -1.687 1.00 0.00 C ATOM 4 O MET A 1 4.488 1.017 -0.999 1.00 0.00 O ATOM 5 CB MET A 1 2.473 -0.379 -2.945 1.00 0.00 C ATOM 6 CG MET A 1 3.112 -0.168 -4.329 1.00 0.00 C ATOM 7 SD MET A 1 1.943 0.274 -5.641 1.00 0.00 S ATOM 8 CE MET A 1 3.089 0.291 -7.048 1.00 0.00 C ATOM 0 H1 MET A 1 2.180 -2.063 -0.765 1.00 0.00 H new ATOM 0 H2 MET A 1 3.608 -1.603 0.031 1.00 0.00 H new ATOM 0 H3 MET A 1 2.385 -0.458 -0.249 1.00 0.00 H new ATOM 0 HA MET A 1 3.857 -1.872 -2.389 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.623 -1.056 -3.036 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.087 0.570 -2.574 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.864 0.617 -4.251 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.633 -1.081 -4.617 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.545 0.547 -7.957 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.870 1.031 -6.872 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.541 -0.694 -7.161 1.00 0.00 H new ATOM 20 N GLU A 2 5.810 -0.309 -2.248 1.00 0.00 N ATOM 21 CA GLU A 2 7.034 0.459 -2.100 1.00 0.00 C ATOM 22 C GLU A 2 7.521 0.754 -3.520 1.00 0.00 C ATOM 23 O GLU A 2 7.192 0.012 -4.453 1.00 0.00 O ATOM 24 CB GLU A 2 8.073 -0.330 -1.282 1.00 0.00 C ATOM 25 CG GLU A 2 7.585 -0.755 0.119 1.00 0.00 C ATOM 26 CD GLU A 2 6.717 -2.031 0.126 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.251 -3.136 -0.120 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.500 -1.947 0.416 1.00 0.00 O ATOM 0 H GLU A 2 5.927 -1.134 -2.836 1.00 0.00 H new ATOM 0 HA GLU A 2 6.869 1.388 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.358 -1.221 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.971 0.278 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.452 -0.915 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.012 0.063 0.556 1.00 0.00 H new ATOM 35 N TRP A 3 8.288 1.827 -3.692 1.00 0.00 N ATOM 36 CA TRP A 3 8.622 2.364 -4.996 1.00 0.00 C ATOM 37 C TRP A 3 10.132 2.524 -5.099 1.00 0.00 C ATOM 38 O TRP A 3 10.829 2.599 -4.086 1.00 0.00 O ATOM 39 CB TRP A 3 7.904 3.711 -5.192 1.00 0.00 C ATOM 40 CG TRP A 3 6.413 3.709 -5.002 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.772 3.754 -3.813 1.00 0.00 C ATOM 42 CD2 TRP A 3 5.356 3.685 -6.013 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.406 3.747 -4.011 1.00 0.00 N ATOM 44 CE2 TRP A 3 4.091 3.741 -5.354 1.00 0.00 C ATOM 45 CE3 TRP A 3 5.336 3.630 -7.423 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.878 3.775 -6.059 1.00 0.00 C ATOM 47 CZ3 TRP A 3 4.127 3.659 -8.142 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.898 3.738 -7.463 1.00 0.00 C ATOM 0 H TRP A 3 8.697 2.350 -2.917 1.00 0.00 H new ATOM 0 HA TRP A 3 8.293 1.684 -5.782 1.00 0.00 H new ATOM 0 HB2 TRP A 3 8.336 4.432 -4.498 1.00 0.00 H new ATOM 0 HB3 TRP A 3 8.119 4.069 -6.199 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.258 3.790 -2.849 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.717 3.746 -3.259 1.00 0.00 H new ATOM 0 HE3 TRP A 3 6.269 3.564 -7.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.939 3.829 -5.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 4.143 3.620 -9.221 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.973 3.770 -8.019 1.00 0.00 H new ATOM 59 N LEU A 4 10.623 2.615 -6.328 1.00 0.00 N ATOM 60 CA LEU A 4 12.016 2.829 -6.671 1.00 0.00 C ATOM 61 C LEU A 4 12.107 4.191 -7.336 1.00 0.00 C ATOM 62 O LEU A 4 11.362 4.492 -8.268 1.00 0.00 O ATOM 63 CB LEU A 4 12.469 1.717 -7.624 1.00 0.00 C ATOM 64 CG LEU A 4 13.862 1.872 -8.264 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.992 1.898 -7.231 1.00 0.00 C ATOM 66 CD2 LEU A 4 14.088 0.697 -9.225 1.00 0.00 C ATOM 0 H LEU A 4 10.027 2.537 -7.152 1.00 0.00 H new ATOM 0 HA LEU A 4 12.661 2.803 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.449 0.774 -7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.734 1.637 -8.425 1.00 0.00 H new ATOM 0 HG LEU A 4 13.883 2.828 -8.786 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.949 2.009 -7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.844 2.737 -6.551 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.989 0.967 -6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 4 15.070 0.790 -9.688 1.00 0.00 H new ATOM 0 HD22 LEU A 4 14.035 -0.241 -8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.320 0.706 -9.998 1.00 0.00 H new ATOM 78 N VAL A 5 13.031 4.996 -6.843 1.00 0.00 N ATOM 79 CA VAL A 5 13.466 6.241 -7.443 1.00 0.00 C ATOM 80 C VAL A 5 14.409 5.812 -8.556 1.00 0.00 C ATOM 81 O VAL A 5 15.522 5.365 -8.247 1.00 0.00 O ATOM 82 CB VAL A 5 14.180 7.141 -6.414 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.504 8.503 -7.030 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.313 7.371 -5.165 1.00 0.00 C ATOM 0 H VAL A 5 13.520 4.788 -5.973 1.00 0.00 H new ATOM 0 HA VAL A 5 12.632 6.836 -7.815 1.00 0.00 H new ATOM 0 HB VAL A 5 15.097 6.627 -6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.008 9.126 -6.291 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.155 8.366 -7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.581 8.989 -7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.849 8.009 -4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.379 7.853 -5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.095 6.414 -4.692 1.00 0.00 H new ATOM 94 N LYS A 6 13.936 5.933 -9.807 1.00 0.00 N ATOM 95 CA LYS A 6 14.647 5.628 -11.059 1.00 0.00 C ATOM 96 C LYS A 6 15.316 6.860 -11.677 1.00 0.00 C ATOM 97 O LYS A 6 16.143 6.701 -12.571 1.00 0.00 O ATOM 98 CB LYS A 6 13.650 5.104 -12.105 1.00 0.00 C ATOM 99 CG LYS A 6 13.337 3.603 -12.013 1.00 0.00 C ATOM 100 CD LYS A 6 14.508 2.652 -12.317 1.00 0.00 C ATOM 101 CE LYS A 6 15.366 3.057 -13.532 1.00 0.00 C ATOM 102 NZ LYS A 6 16.451 2.079 -13.807 1.00 0.00 N ATOM 0 H LYS A 6 12.988 6.267 -9.982 1.00 0.00 H new ATOM 0 HA LYS A 6 15.410 4.892 -10.803 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.718 5.660 -12.006 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.044 5.317 -13.099 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.972 3.389 -11.009 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.523 3.378 -12.703 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.150 2.595 -11.438 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.111 1.651 -12.487 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.728 3.145 -14.411 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.802 4.040 -13.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.001 2.393 -14.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.077 2.013 -12.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.036 1.146 -14.003 1.00 0.00 H new ATOM 116 N LYS A 7 14.976 8.066 -11.218 1.00 0.00 N ATOM 117 CA LYS A 7 15.637 9.331 -11.546 1.00 0.00 C ATOM 118 C LYS A 7 15.403 10.253 -10.362 1.00 0.00 C ATOM 119 O LYS A 7 14.359 10.136 -9.716 1.00 0.00 O ATOM 120 CB LYS A 7 15.036 10.019 -12.789 1.00 0.00 C ATOM 121 CG LYS A 7 15.198 9.256 -14.110 1.00 0.00 C ATOM 122 CD LYS A 7 14.821 10.167 -15.288 1.00 0.00 C ATOM 123 CE LYS A 7 14.718 9.412 -16.620 1.00 0.00 C ATOM 124 NZ LYS A 7 16.030 8.924 -17.117 1.00 0.00 N ATOM 0 H LYS A 7 14.194 8.193 -10.576 1.00 0.00 H new ATOM 0 HA LYS A 7 16.688 9.131 -11.755 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.973 10.184 -12.613 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.497 11.001 -12.898 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.227 8.913 -14.219 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.565 8.369 -14.108 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.867 10.650 -15.076 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.565 10.958 -15.381 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.044 8.564 -16.499 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.274 10.068 -17.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.895 8.423 -18.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.669 9.732 -17.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.446 8.275 -16.419 1.00 0.00 H new ATOM 138 N SER A 8 16.305 11.196 -10.136 1.00 0.00 N ATOM 139 CA SER A 8 16.162 12.290 -9.190 1.00 0.00 C ATOM 140 C SER A 8 16.585 13.575 -9.912 1.00 0.00 C ATOM 141 O SER A 8 17.424 13.534 -10.819 1.00 0.00 O ATOM 142 CB SER A 8 17.034 11.982 -7.967 1.00 0.00 C ATOM 143 OG SER A 8 18.347 11.578 -8.333 1.00 0.00 O ATOM 0 H SER A 8 17.197 11.220 -10.630 1.00 0.00 H new ATOM 0 HA SER A 8 15.138 12.416 -8.838 1.00 0.00 H new ATOM 0 HB2 SER A 8 17.091 12.866 -7.332 1.00 0.00 H new ATOM 0 HB3 SER A 8 16.565 11.195 -7.377 1.00 0.00 H new ATOM 0 HG SER A 8 19.003 12.101 -7.827 1.00 0.00 H new ATOM 149 N CYS A 9 16.021 14.716 -9.515 1.00 0.00 N ATOM 150 CA CYS A 9 16.273 16.017 -10.112 1.00 0.00 C ATOM 151 C CYS A 9 16.493 16.992 -8.958 1.00 0.00 C ATOM 152 O CYS A 9 15.527 17.427 -8.324 1.00 0.00 O ATOM 153 CB CYS A 9 15.088 16.403 -11.012 1.00 0.00 C ATOM 154 SG CYS A 9 15.474 17.891 -11.976 1.00 0.00 S ATOM 0 H CYS A 9 15.355 14.756 -8.743 1.00 0.00 H new ATOM 0 HA CYS A 9 17.155 16.023 -10.753 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.852 15.579 -11.685 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.203 16.579 -10.401 1.00 0.00 H new ATOM 0 HG CYS A 9 14.545 18.086 -12.864 1.00 0.00 H new ATOM 160 N CYS A 10 17.766 17.265 -8.650 1.00 0.00 N ATOM 161 CA CYS A 10 18.188 18.229 -7.636 1.00 0.00 C ATOM 162 C CYS A 10 17.628 19.621 -7.963 1.00 0.00 C ATOM 163 O CYS A 10 17.422 19.938 -9.138 1.00 0.00 O ATOM 164 CB CYS A 10 19.722 18.272 -7.574 1.00 0.00 C ATOM 165 SG CYS A 10 20.396 16.613 -7.246 1.00 0.00 S ATOM 0 H CYS A 10 18.550 16.807 -9.114 1.00 0.00 H new ATOM 0 HA CYS A 10 17.801 17.921 -6.665 1.00 0.00 H new ATOM 0 HB2 CYS A 10 20.119 18.652 -8.515 1.00 0.00 H new ATOM 0 HB3 CYS A 10 20.041 18.961 -6.792 1.00 0.00 H new ATOM 0 HG CYS A 10 21.694 16.673 -7.200 1.00 0.00 H new ATOM 171 N ASN A 11 17.422 20.468 -6.942 1.00 0.00 N ATOM 172 CA ASN A 11 16.807 21.787 -7.136 1.00 0.00 C ATOM 173 C ASN A 11 17.573 22.911 -6.446 1.00 0.00 C ATOM 174 O ASN A 11 17.931 23.864 -7.133 1.00 0.00 O ATOM 175 CB ASN A 11 15.310 21.767 -6.765 1.00 0.00 C ATOM 176 CG ASN A 11 14.987 22.205 -5.342 1.00 0.00 C ATOM 177 OD1 ASN A 11 14.905 23.394 -5.050 1.00 0.00 O ATOM 178 ND2 ASN A 11 14.885 21.283 -4.402 1.00 0.00 N ATOM 0 H ASN A 11 17.673 20.261 -5.975 1.00 0.00 H new ATOM 0 HA ASN A 11 16.871 22.012 -8.201 1.00 0.00 H new ATOM 0 HB2 ASN A 11 14.772 22.414 -7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 11 14.929 20.756 -6.912 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.738 21.559 -3.431 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.953 20.295 -4.647 1.00 0.00 H new ATOM 185 N LYS A 12 17.832 22.807 -5.133 1.00 0.00 N ATOM 186 CA LYS A 12 18.363 23.854 -4.242 1.00 0.00 C ATOM 187 C LYS A 12 18.029 25.314 -4.613 1.00 0.00 C ATOM 188 O LYS A 12 18.853 26.211 -4.426 1.00 0.00 O ATOM 189 CB LYS A 12 19.814 23.545 -3.821 1.00 0.00 C ATOM 190 CG LYS A 12 20.815 23.242 -4.947 1.00 0.00 C ATOM 191 CD LYS A 12 21.041 24.422 -5.897 1.00 0.00 C ATOM 192 CE LYS A 12 21.807 25.602 -5.276 1.00 0.00 C ATOM 193 NZ LYS A 12 23.224 25.281 -4.968 1.00 0.00 N ATOM 0 H LYS A 12 17.666 21.934 -4.632 1.00 0.00 H new ATOM 0 HA LYS A 12 17.778 23.797 -3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 12 20.190 24.395 -3.252 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.796 22.691 -3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 12 21.769 22.953 -4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.457 22.387 -5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 12 21.589 24.069 -6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 12 20.073 24.779 -6.250 1.00 0.00 H new ATOM 0 HE2 LYS A 12 21.774 26.449 -5.961 1.00 0.00 H new ATOM 0 HE3 LYS A 12 21.304 25.912 -4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 23.691 26.120 -4.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 23.262 24.502 -4.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 23.713 24.996 -5.840 1.00 0.00 H new ATOM 207 N GLN A 13 16.815 25.559 -5.110 1.00 0.00 N ATOM 208 CA GLN A 13 16.336 26.863 -5.567 1.00 0.00 C ATOM 209 C GLN A 13 14.952 27.149 -4.988 1.00 0.00 C ATOM 210 O GLN A 13 14.644 28.313 -4.726 1.00 0.00 O ATOM 211 CB GLN A 13 16.290 26.892 -7.106 1.00 0.00 C ATOM 212 CG GLN A 13 17.681 27.082 -7.732 1.00 0.00 C ATOM 213 CD GLN A 13 17.681 26.723 -9.217 1.00 0.00 C ATOM 214 OE1 GLN A 13 17.577 27.580 -10.090 1.00 0.00 O ATOM 215 NE2 GLN A 13 17.803 25.442 -9.528 1.00 0.00 N ATOM 0 H GLN A 13 16.113 24.826 -5.209 1.00 0.00 H new ATOM 0 HA GLN A 13 17.022 27.636 -5.220 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.855 25.962 -7.471 1.00 0.00 H new ATOM 0 HB3 GLN A 13 15.635 27.700 -7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 13 17.999 28.117 -7.607 1.00 0.00 H new ATOM 0 HG3 GLN A 13 18.406 26.460 -7.206 1.00 0.00 H new ATOM 0 HE21 GLN A 13 17.888 24.744 -8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 13 17.812 25.153 -10.506 1.00 0.00 H new ATOM 224 N ASP A 14 14.128 26.122 -4.745 1.00 0.00 N ATOM 225 CA ASP A 14 12.793 26.300 -4.160 1.00 0.00 C ATOM 226 C ASP A 14 12.437 25.213 -3.136 1.00 0.00 C ATOM 227 O ASP A 14 11.315 25.178 -2.642 1.00 0.00 O ATOM 228 CB ASP A 14 11.744 26.382 -5.283 1.00 0.00 C ATOM 229 CG ASP A 14 10.534 27.227 -4.853 1.00 0.00 C ATOM 230 OD1 ASP A 14 10.729 28.439 -4.609 1.00 0.00 O ATOM 231 OD2 ASP A 14 9.394 26.715 -4.820 1.00 0.00 O ATOM 0 H ASP A 14 14.366 25.151 -4.947 1.00 0.00 H new ATOM 0 HA ASP A 14 12.798 27.237 -3.603 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.196 26.816 -6.175 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.414 25.378 -5.550 1.00 0.00 H new ATOM 236 N ASN A 15 13.375 24.303 -2.828 1.00 0.00 N ATOM 237 CA ASN A 15 13.240 23.111 -1.977 1.00 0.00 C ATOM 238 C ASN A 15 12.370 22.020 -2.629 1.00 0.00 C ATOM 239 O ASN A 15 12.434 20.862 -2.219 1.00 0.00 O ATOM 240 CB ASN A 15 12.785 23.474 -0.546 1.00 0.00 C ATOM 241 CG ASN A 15 13.332 22.551 0.551 1.00 0.00 C ATOM 242 OD1 ASN A 15 13.749 23.022 1.605 1.00 0.00 O ATOM 243 ND2 ASN A 15 13.358 21.245 0.354 1.00 0.00 N ATOM 0 H ASN A 15 14.322 24.389 -3.197 1.00 0.00 H new ATOM 0 HA ASN A 15 14.234 22.675 -1.879 1.00 0.00 H new ATOM 0 HB2 ASN A 15 13.093 24.497 -0.329 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.696 23.455 -0.509 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.725 20.627 1.078 1.00 0.00 H new ATOM 0 HD22 ASN A 15 13.011 20.854 -0.522 1.00 0.00 H new ATOM 250 N ARG A 16 11.605 22.354 -3.669 1.00 0.00 N ATOM 251 CA ARG A 16 10.773 21.419 -4.426 1.00 0.00 C ATOM 252 C ARG A 16 11.693 20.578 -5.311 1.00 0.00 C ATOM 253 O ARG A 16 12.372 21.140 -6.162 1.00 0.00 O ATOM 254 CB ARG A 16 9.737 22.195 -5.271 1.00 0.00 C ATOM 255 CG ARG A 16 8.826 23.106 -4.429 1.00 0.00 C ATOM 256 CD ARG A 16 7.894 23.990 -5.267 1.00 0.00 C ATOM 257 NE ARG A 16 6.738 23.271 -5.829 1.00 0.00 N ATOM 258 CZ ARG A 16 5.526 23.789 -6.058 1.00 0.00 C ATOM 259 NH1 ARG A 16 5.240 25.057 -5.763 1.00 0.00 N ATOM 260 NH2 ARG A 16 4.604 23.005 -6.596 1.00 0.00 N ATOM 0 H ARG A 16 11.546 23.311 -4.018 1.00 0.00 H new ATOM 0 HA ARG A 16 10.219 20.765 -3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.261 22.800 -6.010 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.120 21.484 -5.821 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.224 22.488 -3.763 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.447 23.743 -3.799 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.533 24.811 -4.647 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.465 24.434 -6.082 1.00 0.00 H new ATOM 0 HE ARG A 16 6.874 22.288 -6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.954 25.658 -5.352 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.307 25.426 -5.948 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.828 22.036 -6.823 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.670 23.370 -6.783 1.00 0.00 H new ATOM 274 N HIS A 17 11.740 19.263 -5.124 1.00 0.00 N ATOM 275 CA HIS A 17 12.501 18.301 -5.920 1.00 0.00 C ATOM 276 C HIS A 17 11.543 17.510 -6.808 1.00 0.00 C ATOM 277 O HIS A 17 10.325 17.591 -6.646 1.00 0.00 O ATOM 278 CB HIS A 17 13.265 17.348 -4.981 1.00 0.00 C ATOM 279 CG HIS A 17 14.510 17.943 -4.386 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.783 18.142 -3.053 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.620 18.320 -5.083 1.00 0.00 C ATOM 282 CE1 HIS A 17 16.031 18.631 -2.955 1.00 0.00 C ATOM 283 NE2 HIS A 17 16.575 18.788 -4.179 1.00 0.00 N ATOM 0 H HIS A 17 11.219 18.813 -4.371 1.00 0.00 H new ATOM 0 HA HIS A 17 13.218 18.828 -6.550 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.600 17.040 -4.174 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.533 16.448 -5.534 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.740 18.266 -6.155 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.529 18.866 -2.026 1.00 0.00 H new ATOM 0 HE2 HIS A 17 17.495 19.170 -4.399 1.00 0.00 H new ATOM 291 N VAL A 18 12.082 16.701 -7.722 1.00 0.00 N ATOM 292 CA VAL A 18 11.289 15.775 -8.517 1.00 0.00 C ATOM 293 C VAL A 18 12.081 14.496 -8.660 1.00 0.00 C ATOM 294 O VAL A 18 13.313 14.520 -8.730 1.00 0.00 O ATOM 295 CB VAL A 18 10.952 16.333 -9.921 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.666 15.701 -10.481 1.00 0.00 C ATOM 297 CG2 VAL A 18 10.816 17.854 -9.997 1.00 0.00 C ATOM 0 H VAL A 18 13.081 16.673 -7.928 1.00 0.00 H new ATOM 0 HA VAL A 18 10.339 15.607 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 18 11.817 16.059 -10.525 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.457 16.114 -11.468 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.795 14.622 -10.560 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.833 15.919 -9.813 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.579 18.147 -11.020 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.017 18.182 -9.332 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.754 18.319 -9.694 1.00 0.00 H new ATOM 307 N LEU A 19 11.363 13.382 -8.677 1.00 0.00 N ATOM 308 CA LEU A 19 11.933 12.068 -8.887 1.00 0.00 C ATOM 309 C LEU A 19 10.960 11.247 -9.729 1.00 0.00 C ATOM 310 O LEU A 19 9.790 11.617 -9.869 1.00 0.00 O ATOM 311 CB LEU A 19 12.297 11.359 -7.561 1.00 0.00 C ATOM 312 CG LEU A 19 11.919 11.955 -6.184 1.00 0.00 C ATOM 313 CD1 LEU A 19 12.206 10.891 -5.123 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.734 13.210 -5.824 1.00 0.00 C ATOM 0 H LEU A 19 10.352 13.371 -8.543 1.00 0.00 H new ATOM 0 HA LEU A 19 12.877 12.173 -9.421 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.855 10.363 -7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.379 11.228 -7.561 1.00 0.00 H new ATOM 0 HG LEU A 19 10.869 12.245 -6.225 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.949 11.281 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.609 10.002 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.264 10.631 -5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.421 13.579 -4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.794 12.959 -5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.564 13.982 -6.575 1.00 0.00 H new ATOM 326 N MET A 20 11.430 10.125 -10.280 1.00 0.00 N ATOM 327 CA MET A 20 10.574 9.190 -10.995 1.00 0.00 C ATOM 328 C MET A 20 10.302 8.020 -10.075 1.00 0.00 C ATOM 329 O MET A 20 11.225 7.282 -9.724 1.00 0.00 O ATOM 330 CB MET A 20 11.179 8.735 -12.327 1.00 0.00 C ATOM 331 CG MET A 20 10.811 9.748 -13.413 1.00 0.00 C ATOM 332 SD MET A 20 11.360 9.330 -15.091 1.00 0.00 S ATOM 333 CE MET A 20 10.470 7.777 -15.372 1.00 0.00 C ATOM 0 H MET A 20 12.410 9.845 -10.241 1.00 0.00 H new ATOM 0 HA MET A 20 9.641 9.687 -11.262 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.262 8.653 -12.240 1.00 0.00 H new ATOM 0 HB3 MET A 20 10.805 7.746 -12.592 1.00 0.00 H new ATOM 0 HG2 MET A 20 9.727 9.866 -13.423 1.00 0.00 H new ATOM 0 HG3 MET A 20 11.234 10.715 -13.142 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.563 7.489 -16.419 1.00 0.00 H new ATOM 0 HE2 MET A 20 10.894 6.996 -14.741 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.417 7.911 -15.125 1.00 0.00 H new ATOM 343 N LEU A 21 9.039 7.896 -9.673 1.00 0.00 N ATOM 344 CA LEU A 21 8.563 6.869 -8.757 1.00 0.00 C ATOM 345 C LEU A 21 8.105 5.702 -9.592 1.00 0.00 C ATOM 346 O LEU A 21 7.254 5.856 -10.462 1.00 0.00 O ATOM 347 CB LEU A 21 7.383 7.360 -7.907 1.00 0.00 C ATOM 348 CG LEU A 21 7.863 7.824 -6.531 1.00 0.00 C ATOM 349 CD1 LEU A 21 8.826 9.015 -6.661 1.00 0.00 C ATOM 350 CD2 LEU A 21 6.653 8.163 -5.657 1.00 0.00 C ATOM 0 H LEU A 21 8.300 8.526 -9.986 1.00 0.00 H new ATOM 0 HA LEU A 21 9.370 6.598 -8.076 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.878 8.180 -8.417 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.653 6.559 -7.792 1.00 0.00 H new ATOM 0 HG LEU A 21 8.418 7.019 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.154 9.328 -5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.692 8.720 -7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.316 9.844 -7.152 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.994 8.494 -4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.076 8.959 -6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.027 7.278 -5.544 1.00 0.00 H new ATOM 362 N CYS A 22 8.661 4.536 -9.314 1.00 0.00 N ATOM 363 CA CYS A 22 8.510 3.378 -10.167 1.00 0.00 C ATOM 364 C CYS A 22 8.261 2.145 -9.318 1.00 0.00 C ATOM 365 O CYS A 22 8.490 2.163 -8.110 1.00 0.00 O ATOM 366 CB CYS A 22 9.790 3.221 -10.998 1.00 0.00 C ATOM 367 SG CYS A 22 10.176 4.782 -11.852 1.00 0.00 S ATOM 0 H CYS A 22 9.232 4.369 -8.486 1.00 0.00 H new ATOM 0 HA CYS A 22 7.658 3.503 -10.835 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.620 2.936 -10.352 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.664 2.420 -11.727 1.00 0.00 H new ATOM 0 HG CYS A 22 10.719 5.613 -11.013 1.00 0.00 H new ATOM 373 N ASP A 23 7.792 1.077 -9.952 1.00 0.00 N ATOM 374 CA ASP A 23 7.742 -0.252 -9.351 1.00 0.00 C ATOM 375 C ASP A 23 9.129 -0.589 -8.783 1.00 0.00 C ATOM 376 O ASP A 23 10.137 -0.153 -9.346 1.00 0.00 O ATOM 377 CB ASP A 23 7.315 -1.254 -10.436 1.00 0.00 C ATOM 378 CG ASP A 23 7.857 -2.667 -10.186 1.00 0.00 C ATOM 379 OD1 ASP A 23 7.284 -3.397 -9.346 1.00 0.00 O ATOM 380 OD2 ASP A 23 8.857 -3.026 -10.845 1.00 0.00 O ATOM 0 H ASP A 23 7.432 1.108 -10.906 1.00 0.00 H new ATOM 0 HA ASP A 23 7.022 -0.295 -8.534 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.227 -1.290 -10.483 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.664 -0.902 -11.407 1.00 0.00 H new ATOM 385 N ALA A 24 9.194 -1.348 -7.683 1.00 0.00 N ATOM 386 CA ALA A 24 10.435 -1.853 -7.098 1.00 0.00 C ATOM 387 C ALA A 24 11.104 -2.874 -8.043 1.00 0.00 C ATOM 388 O ALA A 24 11.058 -4.085 -7.811 1.00 0.00 O ATOM 389 CB ALA A 24 10.152 -2.422 -5.701 1.00 0.00 C ATOM 0 H ALA A 24 8.363 -1.633 -7.165 1.00 0.00 H new ATOM 0 HA ALA A 24 11.148 -1.037 -6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.078 -2.798 -5.267 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.745 -1.637 -5.064 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.431 -3.236 -5.779 1.00 0.00 H new ATOM 395 N GLY A 25 11.684 -2.375 -9.135 1.00 0.00 N ATOM 396 CA GLY A 25 12.178 -3.154 -10.267 1.00 0.00 C ATOM 397 C GLY A 25 12.118 -2.376 -11.588 1.00 0.00 C ATOM 398 O GLY A 25 12.791 -2.745 -12.552 1.00 0.00 O ATOM 0 H GLY A 25 11.828 -1.373 -9.258 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.207 -3.456 -10.074 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.590 -4.067 -10.360 1.00 0.00 H new ATOM 402 N GLY A 26 11.346 -1.288 -11.629 1.00 0.00 N ATOM 403 CA GLY A 26 11.224 -0.376 -12.758 1.00 0.00 C ATOM 404 C GLY A 26 10.176 -0.799 -13.790 1.00 0.00 C ATOM 405 O GLY A 26 10.137 -0.195 -14.862 1.00 0.00 O ATOM 0 H GLY A 26 10.765 -1.010 -10.838 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.971 0.616 -12.384 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.192 -0.294 -13.252 1.00 0.00 H new ATOM 409 N ALA A 27 9.340 -1.812 -13.516 1.00 0.00 N ATOM 410 CA ALA A 27 8.411 -2.360 -14.509 1.00 0.00 C ATOM 411 C ALA A 27 7.302 -1.374 -14.915 1.00 0.00 C ATOM 412 O ALA A 27 6.710 -1.521 -15.986 1.00 0.00 O ATOM 413 CB ALA A 27 7.784 -3.650 -13.967 1.00 0.00 C ATOM 0 H ALA A 27 9.291 -2.270 -12.606 1.00 0.00 H new ATOM 0 HA ALA A 27 8.993 -2.563 -15.408 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.093 -4.057 -14.706 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.569 -4.379 -13.764 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.243 -3.433 -13.046 1.00 0.00 H new ATOM 419 N ILE A 28 7.018 -0.382 -14.070 1.00 0.00 N ATOM 420 CA ILE A 28 6.026 0.677 -14.250 1.00 0.00 C ATOM 421 C ILE A 28 6.713 1.928 -13.702 1.00 0.00 C ATOM 422 O ILE A 28 7.464 1.816 -12.727 1.00 0.00 O ATOM 423 CB ILE A 28 4.724 0.336 -13.474 1.00 0.00 C ATOM 424 CG1 ILE A 28 4.103 -0.994 -13.971 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.697 1.483 -13.573 1.00 0.00 C ATOM 426 CD1 ILE A 28 2.810 -1.407 -13.258 1.00 0.00 C ATOM 0 H ILE A 28 7.509 -0.292 -13.181 1.00 0.00 H new ATOM 0 HA ILE A 28 5.720 0.810 -15.288 1.00 0.00 H new ATOM 0 HB ILE A 28 4.995 0.212 -12.425 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.901 -0.907 -15.039 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.838 -1.790 -13.849 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.797 1.214 -13.020 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.125 2.392 -13.150 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.443 1.654 -14.619 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.450 -2.349 -13.673 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.006 -1.531 -12.193 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.053 -0.635 -13.401 1.00 0.00 H new ATOM 438 N LYS A 29 6.479 3.102 -14.299 1.00 0.00 N ATOM 439 CA LYS A 29 7.166 4.341 -13.928 1.00 0.00 C ATOM 440 C LYS A 29 6.188 5.515 -13.925 1.00 0.00 C ATOM 441 O LYS A 29 5.284 5.585 -14.761 1.00 0.00 O ATOM 442 CB LYS A 29 8.348 4.617 -14.881 1.00 0.00 C ATOM 443 CG LYS A 29 9.374 3.466 -14.970 1.00 0.00 C ATOM 444 CD LYS A 29 10.718 3.950 -15.542 1.00 0.00 C ATOM 445 CE LYS A 29 11.826 2.881 -15.546 1.00 0.00 C ATOM 446 NZ LYS A 29 11.511 1.714 -16.413 1.00 0.00 N ATOM 0 H LYS A 29 5.805 3.218 -15.056 1.00 0.00 H new ATOM 0 HA LYS A 29 7.564 4.224 -12.920 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.956 4.817 -15.878 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.861 5.521 -14.553 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.532 3.040 -13.979 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.975 2.670 -15.599 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.561 4.298 -16.563 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.059 4.808 -14.962 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.758 3.334 -15.883 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.991 2.534 -14.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.394 1.310 -16.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.008 0.994 -15.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.910 2.022 -17.204 1.00 0.00 H new ATOM 460 N MET A 30 6.386 6.448 -12.999 1.00 0.00 N ATOM 461 CA MET A 30 5.594 7.649 -12.752 1.00 0.00 C ATOM 462 C MET A 30 6.566 8.772 -12.377 1.00 0.00 C ATOM 463 O MET A 30 7.773 8.547 -12.269 1.00 0.00 O ATOM 464 CB MET A 30 4.583 7.427 -11.608 1.00 0.00 C ATOM 465 CG MET A 30 3.727 6.162 -11.734 1.00 0.00 C ATOM 466 SD MET A 30 2.132 6.205 -10.860 1.00 0.00 S ATOM 467 CE MET A 30 2.614 6.888 -9.250 1.00 0.00 C ATOM 0 H MET A 30 7.169 6.378 -12.349 1.00 0.00 H new ATOM 0 HA MET A 30 5.024 7.904 -13.645 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.128 7.386 -10.665 1.00 0.00 H new ATOM 0 HB3 MET A 30 3.921 8.291 -11.556 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.537 5.977 -12.791 1.00 0.00 H new ATOM 0 HG3 MET A 30 4.303 5.316 -11.360 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.826 6.694 -8.522 1.00 0.00 H new ATOM 0 HE2 MET A 30 3.539 6.417 -8.917 1.00 0.00 H new ATOM 0 HE3 MET A 30 2.767 7.963 -9.342 1.00 0.00 H new ATOM 477 N ILE A 31 6.057 9.979 -12.148 1.00 0.00 N ATOM 478 CA ILE A 31 6.799 11.159 -11.721 1.00 0.00 C ATOM 479 C ILE A 31 6.173 11.584 -10.393 1.00 0.00 C ATOM 480 O ILE A 31 4.954 11.474 -10.237 1.00 0.00 O ATOM 481 CB ILE A 31 6.680 12.287 -12.762 1.00 0.00 C ATOM 482 CG1 ILE A 31 7.129 11.835 -14.168 1.00 0.00 C ATOM 483 CG2 ILE A 31 7.529 13.514 -12.375 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.287 12.563 -15.206 1.00 0.00 C ATOM 0 H ILE A 31 5.061 10.169 -12.262 1.00 0.00 H new ATOM 0 HA ILE A 31 7.862 10.944 -11.614 1.00 0.00 H new ATOM 0 HB ILE A 31 5.623 12.551 -12.781 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.186 12.056 -14.316 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.011 10.757 -14.274 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.418 14.288 -13.135 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.193 13.900 -11.412 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.577 13.223 -12.304 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.593 12.253 -16.205 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.235 12.319 -15.057 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.429 13.639 -15.100 1.00 0.00 H new ATOM 496 N ALA A 32 6.971 12.102 -9.462 1.00 0.00 N ATOM 497 CA ALA A 32 6.472 12.756 -8.265 1.00 0.00 C ATOM 498 C ALA A 32 7.337 13.975 -7.994 1.00 0.00 C ATOM 499 O ALA A 32 8.566 13.886 -7.969 1.00 0.00 O ATOM 500 CB ALA A 32 6.500 11.818 -7.060 1.00 0.00 C ATOM 0 H ALA A 32 7.989 12.077 -9.522 1.00 0.00 H new ATOM 0 HA ALA A 32 5.434 13.048 -8.425 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.120 12.341 -6.183 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.876 10.947 -7.262 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.524 11.495 -6.874 1.00 0.00 H new ATOM 506 N GLU A 33 6.683 15.105 -7.778 1.00 0.00 N ATOM 507 CA GLU A 33 7.293 16.317 -7.284 1.00 0.00 C ATOM 508 C GLU A 33 7.130 16.273 -5.765 1.00 0.00 C ATOM 509 O GLU A 33 6.054 15.943 -5.251 1.00 0.00 O ATOM 510 CB GLU A 33 6.568 17.521 -7.898 1.00 0.00 C ATOM 511 CG GLU A 33 7.320 18.832 -7.658 1.00 0.00 C ATOM 512 CD GLU A 33 6.442 20.044 -7.988 1.00 0.00 C ATOM 513 OE1 GLU A 33 6.058 20.230 -9.163 1.00 0.00 O ATOM 514 OE2 GLU A 33 6.142 20.816 -7.052 1.00 0.00 O ATOM 0 H GLU A 33 5.682 15.201 -7.949 1.00 0.00 H new ATOM 0 HA GLU A 33 8.347 16.404 -7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.449 17.363 -8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.567 17.595 -7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.641 18.885 -6.618 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.221 18.855 -8.271 1.00 0.00 H new ATOM 521 N VAL A 34 8.194 16.586 -5.038 1.00 0.00 N ATOM 522 CA VAL A 34 8.291 16.393 -3.600 1.00 0.00 C ATOM 523 C VAL A 34 9.012 17.597 -2.989 1.00 0.00 C ATOM 524 O VAL A 34 9.508 18.460 -3.707 1.00 0.00 O ATOM 525 CB VAL A 34 8.997 15.046 -3.292 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.272 13.836 -3.908 1.00 0.00 C ATOM 527 CG2 VAL A 34 10.462 15.010 -3.746 1.00 0.00 C ATOM 0 H VAL A 34 9.036 16.992 -5.445 1.00 0.00 H new ATOM 0 HA VAL A 34 7.300 16.334 -3.149 1.00 0.00 H new ATOM 0 HB VAL A 34 8.962 14.975 -2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.812 12.923 -3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.259 13.778 -3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.231 13.949 -4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.895 14.040 -3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.513 15.168 -4.823 1.00 0.00 H new ATOM 0 HG23 VAL A 34 11.020 15.796 -3.237 1.00 0.00 H new ATOM 537 N LYS A 35 9.110 17.659 -1.667 1.00 0.00 N ATOM 538 CA LYS A 35 9.958 18.591 -0.934 1.00 0.00 C ATOM 539 C LYS A 35 10.691 17.714 0.069 1.00 0.00 C ATOM 540 O LYS A 35 10.108 16.746 0.566 1.00 0.00 O ATOM 541 CB LYS A 35 9.111 19.689 -0.267 1.00 0.00 C ATOM 542 CG LYS A 35 9.967 20.850 0.270 1.00 0.00 C ATOM 543 CD LYS A 35 9.145 21.933 0.987 1.00 0.00 C ATOM 544 CE LYS A 35 8.228 22.709 0.027 1.00 0.00 C ATOM 545 NZ LYS A 35 7.489 23.797 0.718 1.00 0.00 N ATOM 0 H LYS A 35 8.582 17.039 -1.053 1.00 0.00 H new ATOM 0 HA LYS A 35 10.658 19.132 -1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.391 20.076 -0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.539 19.254 0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.712 20.454 0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.510 21.305 -0.559 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.540 21.469 1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.822 22.630 1.481 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.825 23.133 -0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.516 22.021 -0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.883 24.294 0.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.899 23.391 1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.167 24.468 1.132 1.00 0.00 H new ATOM 559 N SER A 36 11.939 18.034 0.373 1.00 0.00 N ATOM 560 CA SER A 36 12.805 17.134 1.122 1.00 0.00 C ATOM 561 C SER A 36 13.483 17.882 2.261 1.00 0.00 C ATOM 562 O SER A 36 13.847 19.051 2.111 1.00 0.00 O ATOM 563 CB SER A 36 13.841 16.494 0.180 1.00 0.00 C ATOM 564 OG SER A 36 13.391 16.441 -1.171 1.00 0.00 O ATOM 0 H SER A 36 12.378 18.916 0.111 1.00 0.00 H new ATOM 0 HA SER A 36 12.203 16.336 1.556 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.770 17.062 0.228 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.066 15.485 0.525 1.00 0.00 H new ATOM 0 HG SER A 36 13.986 16.978 -1.735 1.00 0.00 H new ATOM 570 N ASP A 37 13.696 17.183 3.377 1.00 0.00 N ATOM 571 CA ASP A 37 14.466 17.679 4.527 1.00 0.00 C ATOM 572 C ASP A 37 15.745 16.847 4.728 1.00 0.00 C ATOM 573 O ASP A 37 16.513 17.073 5.664 1.00 0.00 O ATOM 574 CB ASP A 37 13.572 17.689 5.774 1.00 0.00 C ATOM 575 CG ASP A 37 14.245 18.376 6.978 1.00 0.00 C ATOM 576 OD1 ASP A 37 14.667 19.549 6.857 1.00 0.00 O ATOM 577 OD2 ASP A 37 14.286 17.781 8.079 1.00 0.00 O ATOM 0 H ASP A 37 13.333 16.239 3.513 1.00 0.00 H new ATOM 0 HA ASP A 37 14.789 18.703 4.338 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.638 18.201 5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.316 16.664 6.041 1.00 0.00 H new ATOM 582 N PHE A 38 15.986 15.894 3.821 1.00 0.00 N ATOM 583 CA PHE A 38 17.114 14.974 3.789 1.00 0.00 C ATOM 584 C PHE A 38 17.479 14.753 2.318 1.00 0.00 C ATOM 585 O PHE A 38 16.651 14.994 1.431 1.00 0.00 O ATOM 586 CB PHE A 38 16.719 13.631 4.426 1.00 0.00 C ATOM 587 CG PHE A 38 16.166 13.716 5.836 1.00 0.00 C ATOM 588 CD1 PHE A 38 14.798 13.983 6.038 1.00 0.00 C ATOM 589 CD2 PHE A 38 17.008 13.519 6.947 1.00 0.00 C ATOM 590 CE1 PHE A 38 14.272 14.044 7.337 1.00 0.00 C ATOM 591 CE2 PHE A 38 16.480 13.580 8.249 1.00 0.00 C ATOM 592 CZ PHE A 38 15.112 13.839 8.445 1.00 0.00 C ATOM 0 H PHE A 38 15.350 15.740 3.038 1.00 0.00 H new ATOM 0 HA PHE A 38 17.957 15.384 4.346 1.00 0.00 H new ATOM 0 HB2 PHE A 38 15.974 13.152 3.790 1.00 0.00 H new ATOM 0 HB3 PHE A 38 17.594 12.982 4.436 1.00 0.00 H new ATOM 0 HD1 PHE A 38 14.150 14.142 5.188 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.059 13.321 6.799 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.222 14.248 7.486 1.00 0.00 H new ATOM 0 HE2 PHE A 38 17.127 13.428 9.100 1.00 0.00 H new ATOM 0 HZ PHE A 38 14.707 13.880 9.445 1.00 0.00 H new ATOM 602 N ALA A 39 18.699 14.279 2.055 1.00 0.00 N ATOM 603 CA ALA A 39 19.124 13.905 0.714 1.00 0.00 C ATOM 604 C ALA A 39 18.273 12.740 0.193 1.00 0.00 C ATOM 605 O ALA A 39 17.899 11.846 0.954 1.00 0.00 O ATOM 606 CB ALA A 39 20.610 13.528 0.724 1.00 0.00 C ATOM 0 H ALA A 39 19.416 14.146 2.768 1.00 0.00 H new ATOM 0 HA ALA A 39 18.985 14.755 0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.921 13.249 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 39 21.199 14.380 1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 39 20.767 12.686 1.399 1.00 0.00 H new ATOM 612 N VAL A 40 18.029 12.727 -1.116 1.00 0.00 N ATOM 613 CA VAL A 40 17.352 11.666 -1.853 1.00 0.00 C ATOM 614 C VAL A 40 17.970 11.676 -3.252 1.00 0.00 C ATOM 615 O VAL A 40 18.261 12.754 -3.783 1.00 0.00 O ATOM 616 CB VAL A 40 15.819 11.900 -1.846 1.00 0.00 C ATOM 617 CG1 VAL A 40 15.380 13.309 -2.286 1.00 0.00 C ATOM 618 CG2 VAL A 40 15.065 10.863 -2.690 1.00 0.00 C ATOM 0 H VAL A 40 18.314 13.497 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 40 17.486 10.682 -1.403 1.00 0.00 H new ATOM 0 HB VAL A 40 15.553 11.789 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.293 13.379 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.814 14.051 -1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 40 15.722 13.495 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.996 11.071 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.409 10.916 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.255 9.865 -2.295 1.00 0.00 H new ATOM 628 N LYS A 41 18.215 10.506 -3.846 1.00 0.00 N ATOM 629 CA LYS A 41 18.793 10.402 -5.181 1.00 0.00 C ATOM 630 C LYS A 41 18.305 9.130 -5.865 1.00 0.00 C ATOM 631 O LYS A 41 17.691 8.271 -5.240 1.00 0.00 O ATOM 632 CB LYS A 41 20.334 10.513 -5.127 1.00 0.00 C ATOM 633 CG LYS A 41 21.109 9.228 -4.794 1.00 0.00 C ATOM 634 CD LYS A 41 20.724 8.566 -3.467 1.00 0.00 C ATOM 635 CE LYS A 41 21.444 7.224 -3.281 1.00 0.00 C ATOM 636 NZ LYS A 41 20.702 6.116 -3.928 1.00 0.00 N ATOM 0 H LYS A 41 18.017 9.605 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 41 18.453 11.240 -5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.682 10.880 -6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.595 11.269 -4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 41 20.955 8.510 -5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.174 9.459 -4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.973 9.232 -2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.646 8.409 -3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.447 7.287 -3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.558 7.015 -2.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.298 5.264 -3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.834 5.919 -3.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.453 6.386 -4.901 1.00 0.00 H new ATOM 650 N VAL A 42 18.578 9.004 -7.153 1.00 0.00 N ATOM 651 CA VAL A 42 18.250 7.834 -7.943 1.00 0.00 C ATOM 652 C VAL A 42 18.841 6.548 -7.341 1.00 0.00 C ATOM 653 O VAL A 42 19.848 6.565 -6.625 1.00 0.00 O ATOM 654 CB VAL A 42 18.626 8.127 -9.406 1.00 0.00 C ATOM 655 CG1 VAL A 42 20.075 8.587 -9.614 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.295 6.936 -10.299 1.00 0.00 C ATOM 0 H VAL A 42 19.046 9.734 -7.690 1.00 0.00 H new ATOM 0 HA VAL A 42 17.179 7.632 -7.925 1.00 0.00 H new ATOM 0 HB VAL A 42 18.013 8.980 -9.698 1.00 0.00 H new ATOM 0 HG11 VAL A 42 20.250 8.770 -10.674 1.00 0.00 H new ATOM 0 HG12 VAL A 42 20.249 9.506 -9.054 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.757 7.813 -9.262 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.569 7.166 -11.329 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.852 6.062 -9.961 1.00 0.00 H new ATOM 0 HG23 VAL A 42 17.226 6.727 -10.246 1.00 0.00 H new ATOM 666 N GLY A 43 18.192 5.418 -7.623 1.00 0.00 N ATOM 667 CA GLY A 43 18.475 4.147 -6.989 1.00 0.00 C ATOM 668 C GLY A 43 18.075 4.205 -5.518 1.00 0.00 C ATOM 669 O GLY A 43 18.847 3.739 -4.680 1.00 0.00 O ATOM 0 H GLY A 43 17.442 5.368 -8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.930 3.349 -7.493 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.536 3.914 -7.078 1.00 0.00 H new ATOM 673 N ASP A 44 16.926 4.812 -5.190 1.00 0.00 N ATOM 674 CA ASP A 44 16.459 4.864 -3.779 1.00 0.00 C ATOM 675 C ASP A 44 15.131 4.139 -3.642 1.00 0.00 C ATOM 676 O ASP A 44 14.342 4.140 -4.580 1.00 0.00 O ATOM 677 CB ASP A 44 16.261 6.304 -3.240 1.00 0.00 C ATOM 678 CG ASP A 44 17.478 6.931 -2.550 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.464 6.206 -2.285 1.00 0.00 O ATOM 680 OD2 ASP A 44 17.429 8.138 -2.220 1.00 0.00 O ATOM 0 H ASP A 44 16.307 5.268 -5.860 1.00 0.00 H new ATOM 0 HA ASP A 44 17.246 4.387 -3.195 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.967 6.946 -4.071 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.430 6.297 -2.534 1.00 0.00 H new ATOM 685 N LEU A 45 14.846 3.545 -2.479 1.00 0.00 N ATOM 686 CA LEU A 45 13.500 3.063 -2.180 1.00 0.00 C ATOM 687 C LEU A 45 12.690 4.228 -1.604 1.00 0.00 C ATOM 688 O LEU A 45 13.260 5.092 -0.934 1.00 0.00 O ATOM 689 CB LEU A 45 13.568 1.956 -1.115 1.00 0.00 C ATOM 690 CG LEU A 45 12.263 1.139 -0.988 1.00 0.00 C ATOM 691 CD1 LEU A 45 12.202 0.025 -2.039 1.00 0.00 C ATOM 692 CD2 LEU A 45 12.146 0.556 0.422 1.00 0.00 C ATOM 0 H LEU A 45 15.527 3.388 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 45 13.041 2.673 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.388 1.280 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.801 2.406 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 45 11.421 1.808 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.272 -0.533 -1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.242 0.463 -3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.048 -0.649 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.223 -0.018 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.997 -0.096 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.134 1.366 1.151 1.00 0.00 H new ATOM 704 N LEU A 46 11.371 4.210 -1.787 1.00 0.00 N ATOM 705 CA LEU A 46 10.420 5.050 -1.073 1.00 0.00 C ATOM 706 C LEU A 46 9.322 4.124 -0.576 1.00 0.00 C ATOM 707 O LEU A 46 8.809 3.314 -1.353 1.00 0.00 O ATOM 708 CB LEU A 46 9.765 6.127 -1.953 1.00 0.00 C ATOM 709 CG LEU A 46 10.705 7.176 -2.554 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.885 8.159 -3.391 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.479 7.982 -1.511 1.00 0.00 C ATOM 0 H LEU A 46 10.923 3.588 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 46 10.954 5.573 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.241 5.630 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.012 6.643 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 46 11.433 6.627 -3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.547 8.910 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.377 7.620 -4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.146 8.649 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.123 8.704 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.777 8.510 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.089 7.308 -0.910 1.00 0.00 H new ATOM 723 N SER A 47 8.901 4.303 0.669 1.00 0.00 N ATOM 724 CA SER A 47 7.740 3.613 1.226 1.00 0.00 C ATOM 725 C SER A 47 6.852 4.646 1.928 1.00 0.00 C ATOM 726 O SER A 47 7.384 5.586 2.526 1.00 0.00 O ATOM 727 CB SER A 47 8.173 2.504 2.195 1.00 0.00 C ATOM 728 OG SER A 47 9.209 1.707 1.646 1.00 0.00 O ATOM 0 H SER A 47 9.357 4.935 1.327 1.00 0.00 H new ATOM 0 HA SER A 47 7.177 3.133 0.425 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.512 2.949 3.130 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.316 1.874 2.434 1.00 0.00 H new ATOM 0 HG SER A 47 9.462 1.012 2.289 1.00 0.00 H new ATOM 734 N PRO A 48 5.517 4.527 1.839 1.00 0.00 N ATOM 735 CA PRO A 48 4.613 5.519 2.401 1.00 0.00 C ATOM 736 C PRO A 48 4.659 5.490 3.928 1.00 0.00 C ATOM 737 O PRO A 48 4.833 4.437 4.549 1.00 0.00 O ATOM 738 CB PRO A 48 3.221 5.167 1.866 1.00 0.00 C ATOM 739 CG PRO A 48 3.312 3.668 1.578 1.00 0.00 C ATOM 740 CD PRO A 48 4.770 3.476 1.165 1.00 0.00 C ATOM 0 HA PRO A 48 4.893 6.532 2.114 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.443 5.388 2.597 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.983 5.734 0.966 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.062 3.074 2.457 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.627 3.369 0.785 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.132 2.490 1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.882 3.549 0.083 1.00 0.00 H new ATOM 748 N LEU A 49 4.427 6.660 4.522 1.00 0.00 N ATOM 749 CA LEU A 49 4.248 6.858 5.961 1.00 0.00 C ATOM 750 C LEU A 49 2.840 7.406 6.203 1.00 0.00 C ATOM 751 O LEU A 49 2.177 7.025 7.168 1.00 0.00 O ATOM 752 CB LEU A 49 5.304 7.841 6.493 1.00 0.00 C ATOM 753 CG LEU A 49 6.765 7.406 6.269 1.00 0.00 C ATOM 754 CD1 LEU A 49 7.696 8.517 6.757 1.00 0.00 C ATOM 755 CD2 LEU A 49 7.112 6.101 6.993 1.00 0.00 C ATOM 0 H LEU A 49 4.356 7.530 3.994 1.00 0.00 H new ATOM 0 HA LEU A 49 4.370 5.911 6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.151 8.809 6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.142 7.983 7.562 1.00 0.00 H new ATOM 0 HG LEU A 49 6.894 7.227 5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.732 8.217 6.602 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.495 9.431 6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.525 8.695 7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.153 5.843 6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.963 6.229 8.065 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.467 5.301 6.630 1.00 0.00 H new ATOM 767 N GLN A 50 2.378 8.262 5.291 1.00 0.00 N ATOM 768 CA GLN A 50 1.013 8.751 5.144 1.00 0.00 C ATOM 769 C GLN A 50 0.859 9.162 3.670 1.00 0.00 C ATOM 770 O GLN A 50 1.815 9.049 2.900 1.00 0.00 O ATOM 771 CB GLN A 50 0.716 9.905 6.129 1.00 0.00 C ATOM 772 CG GLN A 50 1.765 11.028 6.118 1.00 0.00 C ATOM 773 CD GLN A 50 1.280 12.311 6.797 1.00 0.00 C ATOM 774 OE1 GLN A 50 0.648 12.290 7.851 1.00 0.00 O ATOM 775 NE2 GLN A 50 1.562 13.461 6.203 1.00 0.00 N ATOM 0 H GLN A 50 2.997 8.659 4.585 1.00 0.00 H new ATOM 0 HA GLN A 50 0.282 7.982 5.394 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.258 10.331 5.889 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.646 9.498 7.138 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.668 10.678 6.619 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.039 11.251 5.087 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.087 13.468 5.329 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.254 14.339 6.620 1.00 0.00 H new ATOM 784 N ASN A 51 -0.311 9.674 3.272 1.00 0.00 N ATOM 785 CA ASN A 51 -0.606 10.035 1.878 1.00 0.00 C ATOM 786 C ASN A 51 0.460 10.938 1.240 1.00 0.00 C ATOM 787 O ASN A 51 0.737 10.801 0.048 1.00 0.00 O ATOM 788 CB ASN A 51 -1.975 10.726 1.797 1.00 0.00 C ATOM 789 CG ASN A 51 -2.283 11.177 0.370 1.00 0.00 C ATOM 790 OD1 ASN A 51 -2.708 10.383 -0.465 1.00 0.00 O ATOM 791 ND2 ASN A 51 -2.075 12.447 0.053 1.00 0.00 N ATOM 0 H ASN A 51 -1.086 9.851 3.911 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.610 9.103 1.313 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.751 10.042 2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.991 11.587 2.465 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.268 12.775 -0.893 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.722 13.097 0.755 1.00 0.00 H new ATOM 798 N ALA A 52 1.055 11.850 2.021 1.00 0.00 N ATOM 799 CA ALA A 52 1.938 12.892 1.550 1.00 0.00 C ATOM 800 C ALA A 52 3.308 12.860 2.239 1.00 0.00 C ATOM 801 O ALA A 52 4.010 13.859 2.162 1.00 0.00 O ATOM 802 CB ALA A 52 1.242 14.254 1.698 1.00 0.00 C ATOM 0 H ALA A 52 0.921 11.871 3.032 1.00 0.00 H new ATOM 0 HA ALA A 52 2.145 12.717 0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.906 15.042 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.325 14.260 1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.001 14.427 2.747 1.00 0.00 H new ATOM 808 N LEU A 53 3.715 11.768 2.901 1.00 0.00 N ATOM 809 CA LEU A 53 5.090 11.584 3.371 1.00 0.00 C ATOM 810 C LEU A 53 5.514 10.170 3.024 1.00 0.00 C ATOM 811 O LEU A 53 4.771 9.222 3.283 1.00 0.00 O ATOM 812 CB LEU A 53 5.276 11.760 4.892 1.00 0.00 C ATOM 813 CG LEU A 53 5.355 13.209 5.405 1.00 0.00 C ATOM 814 CD1 LEU A 53 5.187 13.230 6.928 1.00 0.00 C ATOM 815 CD2 LEU A 53 6.705 13.861 5.076 1.00 0.00 C ATOM 0 H LEU A 53 3.097 10.988 3.125 1.00 0.00 H new ATOM 0 HA LEU A 53 5.689 12.354 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.449 11.262 5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.188 11.242 5.188 1.00 0.00 H new ATOM 0 HG LEU A 53 4.559 13.766 4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.244 14.258 7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.218 12.806 7.193 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.979 12.641 7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.718 14.883 5.456 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.508 13.290 5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.849 13.874 3.996 1.00 0.00 H new ATOM 827 N TYR A 54 6.731 10.038 2.512 1.00 0.00 N ATOM 828 CA TYR A 54 7.368 8.766 2.225 1.00 0.00 C ATOM 829 C TYR A 54 8.757 8.824 2.852 1.00 0.00 C ATOM 830 O TYR A 54 9.401 9.879 2.842 1.00 0.00 O ATOM 831 CB TYR A 54 7.461 8.524 0.707 1.00 0.00 C ATOM 832 CG TYR A 54 6.165 8.133 0.010 1.00 0.00 C ATOM 833 CD1 TYR A 54 5.096 9.047 -0.086 1.00 0.00 C ATOM 834 CD2 TYR A 54 6.031 6.855 -0.571 1.00 0.00 C ATOM 835 CE1 TYR A 54 3.891 8.677 -0.706 1.00 0.00 C ATOM 836 CE2 TYR A 54 4.836 6.483 -1.211 1.00 0.00 C ATOM 837 CZ TYR A 54 3.754 7.392 -1.274 1.00 0.00 C ATOM 838 OH TYR A 54 2.580 7.049 -1.876 1.00 0.00 O ATOM 0 H TYR A 54 7.317 10.840 2.279 1.00 0.00 H new ATOM 0 HA TYR A 54 6.788 7.940 2.636 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.843 9.431 0.238 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.196 7.739 0.529 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.205 10.041 0.321 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.853 6.156 -0.524 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.069 9.376 -0.748 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.744 5.503 -1.655 1.00 0.00 H new ATOM 0 HH TYR A 54 2.643 6.133 -2.218 1.00 0.00 H new ATOM 848 N CYS A 55 9.211 7.710 3.419 1.00 0.00 N ATOM 849 CA CYS A 55 10.596 7.575 3.846 1.00 0.00 C ATOM 850 C CYS A 55 11.509 7.411 2.623 1.00 0.00 C ATOM 851 O CYS A 55 11.026 7.106 1.531 1.00 0.00 O ATOM 852 CB CYS A 55 10.746 6.408 4.822 1.00 0.00 C ATOM 853 SG CYS A 55 10.207 4.837 4.099 1.00 0.00 S ATOM 0 H CYS A 55 8.636 6.886 3.593 1.00 0.00 H new ATOM 0 HA CYS A 55 10.897 8.481 4.372 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.788 6.326 5.130 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.164 6.611 5.721 1.00 0.00 H new ATOM 0 HG CYS A 55 9.094 5.016 3.452 1.00 0.00 H new ATOM 859 N ILE A 56 12.820 7.570 2.811 1.00 0.00 N ATOM 860 CA ILE A 56 13.826 7.548 1.752 1.00 0.00 C ATOM 861 C ILE A 56 14.780 6.376 1.982 1.00 0.00 C ATOM 862 O ILE A 56 15.047 5.972 3.117 1.00 0.00 O ATOM 863 CB ILE A 56 14.614 8.887 1.717 1.00 0.00 C ATOM 864 CG1 ILE A 56 13.693 10.115 1.521 1.00 0.00 C ATOM 865 CG2 ILE A 56 15.694 8.901 0.608 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.352 11.421 1.980 1.00 0.00 C ATOM 0 H ILE A 56 13.222 7.723 3.736 1.00 0.00 H new ATOM 0 HA ILE A 56 13.327 7.424 0.791 1.00 0.00 H new ATOM 0 HB ILE A 56 15.095 8.957 2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.423 10.198 0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.768 9.964 2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.218 9.857 0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.406 8.094 0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.220 8.762 -0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.664 12.251 1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.598 11.352 3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.263 11.590 1.406 1.00 0.00 H new ATOM 878 N ASN A 57 15.355 5.901 0.876 1.00 0.00 N ATOM 879 CA ASN A 57 16.477 4.982 0.746 1.00 0.00 C ATOM 880 C ASN A 57 16.161 3.564 1.183 1.00 0.00 C ATOM 881 O ASN A 57 16.220 2.674 0.338 1.00 0.00 O ATOM 882 CB ASN A 57 17.727 5.521 1.463 1.00 0.00 C ATOM 883 CG ASN A 57 18.928 4.664 1.110 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.407 3.867 1.908 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.412 4.807 -0.107 1.00 0.00 N ATOM 0 H ASN A 57 15.008 6.182 -0.041 1.00 0.00 H new ATOM 0 HA ASN A 57 16.688 4.923 -0.322 1.00 0.00 H new ATOM 0 HB2 ASN A 57 17.908 6.555 1.171 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.570 5.517 2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.208 4.245 -0.408 1.00 0.00 H new ATOM 0 HD22 ASN A 57 18.991 5.479 -0.748 1.00 0.00 H new ATOM 892 N ARG A 58 15.818 3.391 2.461 1.00 0.00 N ATOM 893 CA ARG A 58 15.370 2.175 3.145 1.00 0.00 C ATOM 894 C ARG A 58 15.232 2.435 4.656 1.00 0.00 C ATOM 895 O ARG A 58 15.338 1.484 5.434 1.00 0.00 O ATOM 896 CB ARG A 58 16.297 0.964 2.866 1.00 0.00 C ATOM 897 CG ARG A 58 17.766 1.184 3.285 1.00 0.00 C ATOM 898 CD ARG A 58 18.352 -0.011 4.046 1.00 0.00 C ATOM 899 NE ARG A 58 17.665 -0.212 5.337 1.00 0.00 N ATOM 900 CZ ARG A 58 18.023 -1.066 6.302 1.00 0.00 C ATOM 901 NH1 ARG A 58 19.098 -1.839 6.163 1.00 0.00 N ATOM 902 NH2 ARG A 58 17.291 -1.138 7.409 1.00 0.00 N ATOM 0 H ARG A 58 15.850 4.179 3.108 1.00 0.00 H new ATOM 0 HA ARG A 58 14.391 1.913 2.742 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.907 0.093 3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 58 16.265 0.734 1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 58 18.368 1.374 2.396 1.00 0.00 H new ATOM 0 HG3 ARG A 58 17.831 2.074 3.910 1.00 0.00 H new ATOM 0 HD2 ARG A 58 18.261 -0.912 3.439 1.00 0.00 H new ATOM 0 HD3 ARG A 58 19.416 0.151 4.219 1.00 0.00 H new ATOM 0 HE ARG A 58 16.836 0.356 5.510 1.00 0.00 H new ATOM 0 HH11 ARG A 58 19.659 -1.784 5.313 1.00 0.00 H new ATOM 0 HH12 ARG A 58 19.360 -2.486 6.906 1.00 0.00 H new ATOM 0 HH21 ARG A 58 16.467 -0.546 7.515 1.00 0.00 H new ATOM 0 HH22 ARG A 58 17.553 -1.785 8.153 1.00 0.00 H new ATOM 916 N GLU A 59 15.084 3.686 5.117 1.00 0.00 N ATOM 917 CA GLU A 59 15.051 3.992 6.546 1.00 0.00 C ATOM 918 C GLU A 59 14.010 5.070 6.829 1.00 0.00 C ATOM 919 O GLU A 59 13.872 6.033 6.078 1.00 0.00 O ATOM 920 CB GLU A 59 16.447 4.367 7.071 1.00 0.00 C ATOM 921 CG GLU A 59 17.050 5.658 6.491 1.00 0.00 C ATOM 922 CD GLU A 59 18.509 5.842 6.948 1.00 0.00 C ATOM 923 OE1 GLU A 59 18.752 6.070 8.155 1.00 0.00 O ATOM 924 OE2 GLU A 59 19.429 5.752 6.104 1.00 0.00 O ATOM 0 H GLU A 59 14.985 4.502 4.514 1.00 0.00 H new ATOM 0 HA GLU A 59 14.752 3.096 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 59 16.393 4.467 8.155 1.00 0.00 H new ATOM 0 HB3 GLU A 59 17.128 3.543 6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.008 5.626 5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.456 6.515 6.808 1.00 0.00 H new ATOM 931 N LYS A 60 13.269 4.889 7.924 1.00 0.00 N ATOM 932 CA LYS A 60 12.067 5.667 8.236 1.00 0.00 C ATOM 933 C LYS A 60 12.354 7.145 8.494 1.00 0.00 C ATOM 934 O LYS A 60 11.509 7.984 8.189 1.00 0.00 O ATOM 935 CB LYS A 60 11.352 5.071 9.465 1.00 0.00 C ATOM 936 CG LYS A 60 10.879 3.612 9.318 1.00 0.00 C ATOM 937 CD LYS A 60 9.842 3.420 8.198 1.00 0.00 C ATOM 938 CE LYS A 60 9.195 2.025 8.220 1.00 0.00 C ATOM 939 NZ LYS A 60 10.147 0.927 7.909 1.00 0.00 N ATOM 0 H LYS A 60 13.490 4.187 8.630 1.00 0.00 H new ATOM 0 HA LYS A 60 11.429 5.608 7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.026 5.131 10.320 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.487 5.693 9.697 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.741 2.976 9.119 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.449 3.279 10.263 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.065 4.178 8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.323 3.578 7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.759 1.850 9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.377 2.001 7.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.648 0.015 7.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.545 1.071 6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.916 0.925 8.610 1.00 0.00 H new ATOM 953 N LEU A 61 13.511 7.457 9.086 1.00 0.00 N ATOM 954 CA LEU A 61 13.810 8.790 9.605 1.00 0.00 C ATOM 955 C LEU A 61 13.891 9.833 8.499 1.00 0.00 C ATOM 956 O LEU A 61 13.430 10.959 8.676 1.00 0.00 O ATOM 957 CB LEU A 61 15.152 8.786 10.361 1.00 0.00 C ATOM 958 CG LEU A 61 15.273 7.757 11.497 1.00 0.00 C ATOM 959 CD1 LEU A 61 16.646 7.902 12.154 1.00 0.00 C ATOM 960 CD2 LEU A 61 14.158 7.910 12.534 1.00 0.00 C ATOM 0 H LEU A 61 14.268 6.787 9.218 1.00 0.00 H new ATOM 0 HA LEU A 61 12.992 9.051 10.276 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.952 8.604 9.643 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.317 9.780 10.777 1.00 0.00 H new ATOM 0 HG LEU A 61 15.168 6.759 11.071 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.741 7.176 12.961 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.425 7.724 11.412 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.752 8.909 12.557 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.284 7.162 13.317 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.204 8.907 12.973 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.191 7.770 12.051 1.00 0.00 H new ATOM 972 N HIS A 62 14.519 9.468 7.383 1.00 0.00 N ATOM 973 CA HIS A 62 14.741 10.373 6.266 1.00 0.00 C ATOM 974 C HIS A 62 13.459 10.407 5.435 1.00 0.00 C ATOM 975 O HIS A 62 13.026 9.352 4.976 1.00 0.00 O ATOM 976 CB HIS A 62 15.932 9.875 5.430 1.00 0.00 C ATOM 977 CG HIS A 62 17.261 9.795 6.150 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.418 9.252 5.633 1.00 0.00 N ATOM 979 CD2 HIS A 62 17.568 10.250 7.409 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.388 9.374 6.553 1.00 0.00 C ATOM 981 NE2 HIS A 62 18.919 9.982 7.660 1.00 0.00 N ATOM 0 H HIS A 62 14.889 8.530 7.231 1.00 0.00 H new ATOM 0 HA HIS A 62 14.977 11.379 6.614 1.00 0.00 H new ATOM 0 HB2 HIS A 62 15.690 8.885 5.044 1.00 0.00 H new ATOM 0 HB3 HIS A 62 16.047 10.534 4.569 1.00 0.00 H new ATOM 0 HD2 HIS A 62 16.883 10.733 8.090 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.404 9.032 6.424 1.00 0.00 H new ATOM 0 HE2 HIS A 62 19.442 10.202 8.508 1.00 0.00 H new ATOM 989 N THR A 63 12.855 11.576 5.218 1.00 0.00 N ATOM 990 CA THR A 63 11.540 11.692 4.602 1.00 0.00 C ATOM 991 C THR A 63 11.494 12.746 3.488 1.00 0.00 C ATOM 992 O THR A 63 12.249 13.724 3.485 1.00 0.00 O ATOM 993 CB THR A 63 10.519 12.012 5.709 1.00 0.00 C ATOM 994 OG1 THR A 63 10.956 13.115 6.483 1.00 0.00 O ATOM 995 CG2 THR A 63 10.343 10.820 6.650 1.00 0.00 C ATOM 0 H THR A 63 13.271 12.473 5.468 1.00 0.00 H new ATOM 0 HA THR A 63 11.297 10.746 4.119 1.00 0.00 H new ATOM 0 HB THR A 63 9.573 12.243 5.220 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.296 13.307 7.181 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.617 11.071 7.423 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.987 9.959 6.084 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.299 10.579 7.115 1.00 0.00 H new ATOM 1003 N VAL A 64 10.559 12.546 2.559 1.00 0.00 N ATOM 1004 CA VAL A 64 10.151 13.501 1.532 1.00 0.00 C ATOM 1005 C VAL A 64 8.648 13.701 1.692 1.00 0.00 C ATOM 1006 O VAL A 64 7.916 12.733 1.926 1.00 0.00 O ATOM 1007 CB VAL A 64 10.451 13.001 0.099 1.00 0.00 C ATOM 1008 CG1 VAL A 64 11.777 13.563 -0.406 1.00 0.00 C ATOM 1009 CG2 VAL A 64 10.409 11.474 -0.081 1.00 0.00 C ATOM 0 H VAL A 64 10.041 11.669 2.501 1.00 0.00 H new ATOM 0 HA VAL A 64 10.712 14.427 1.661 1.00 0.00 H new ATOM 0 HB VAL A 64 9.630 13.383 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.966 13.197 -1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.730 14.652 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.583 13.242 0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.632 11.224 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.149 11.010 0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.416 11.105 0.176 1.00 0.00 H new ATOM 1019 N LYS A 65 8.187 14.943 1.546 1.00 0.00 N ATOM 1020 CA LYS A 65 6.769 15.271 1.481 1.00 0.00 C ATOM 1021 C LYS A 65 6.351 15.240 0.016 1.00 0.00 C ATOM 1022 O LYS A 65 7.071 15.794 -0.813 1.00 0.00 O ATOM 1023 CB LYS A 65 6.514 16.661 2.095 1.00 0.00 C ATOM 1024 CG LYS A 65 5.006 16.911 2.260 1.00 0.00 C ATOM 1025 CD LYS A 65 4.657 18.379 2.529 1.00 0.00 C ATOM 1026 CE LYS A 65 3.134 18.581 2.472 1.00 0.00 C ATOM 1027 NZ LYS A 65 2.592 18.545 1.086 1.00 0.00 N ATOM 0 H LYS A 65 8.797 15.757 1.469 1.00 0.00 H new ATOM 0 HA LYS A 65 6.183 14.550 2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.008 16.733 3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.948 17.431 1.458 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.490 16.582 1.358 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.632 16.300 3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.034 18.677 3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.144 19.017 1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.648 17.807 3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.883 19.538 2.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.579 18.313 1.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.721 19.475 0.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.097 17.822 0.535 1.00 0.00 H new ATOM 1041 N VAL A 66 5.208 14.643 -0.320 1.00 0.00 N ATOM 1042 CA VAL A 66 4.681 14.715 -1.683 1.00 0.00 C ATOM 1043 C VAL A 66 4.105 16.119 -1.904 1.00 0.00 C ATOM 1044 O VAL A 66 3.511 16.700 -0.989 1.00 0.00 O ATOM 1045 CB VAL A 66 3.635 13.605 -1.922 1.00 0.00 C ATOM 1046 CG1 VAL A 66 3.152 13.575 -3.382 1.00 0.00 C ATOM 1047 CG2 VAL A 66 4.213 12.220 -1.589 1.00 0.00 C ATOM 0 H VAL A 66 4.632 14.107 0.329 1.00 0.00 H new ATOM 0 HA VAL A 66 5.476 14.546 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 66 2.795 13.834 -1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.417 12.779 -3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.696 14.532 -3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.000 13.392 -4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.455 11.457 -1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.079 12.025 -2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.516 12.194 -0.542 1.00 0.00 H new ATOM 1057 N LEU A 67 4.244 16.641 -3.126 1.00 0.00 N ATOM 1058 CA LEU A 67 3.605 17.877 -3.571 1.00 0.00 C ATOM 1059 C LEU A 67 2.624 17.562 -4.701 1.00 0.00 C ATOM 1060 O LEU A 67 1.469 17.987 -4.629 1.00 0.00 O ATOM 1061 CB LEU A 67 4.655 18.897 -4.052 1.00 0.00 C ATOM 1062 CG LEU A 67 5.751 19.242 -3.028 1.00 0.00 C ATOM 1063 CD1 LEU A 67 6.747 20.210 -3.665 1.00 0.00 C ATOM 1064 CD2 LEU A 67 5.202 19.859 -1.737 1.00 0.00 C ATOM 0 H LEU A 67 4.817 16.204 -3.848 1.00 0.00 H new ATOM 0 HA LEU A 67 3.068 18.316 -2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.131 18.508 -4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.142 19.816 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 67 6.234 18.305 -2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.526 20.458 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.199 19.744 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.228 21.120 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.027 20.078 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.671 20.781 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.517 19.157 -1.261 1.00 0.00 H new ATOM 1076 N SER A 68 3.053 16.774 -5.694 1.00 0.00 N ATOM 1077 CA SER A 68 2.268 16.376 -6.863 1.00 0.00 C ATOM 1078 C SER A 68 2.822 15.047 -7.385 1.00 0.00 C ATOM 1079 O SER A 68 3.975 14.716 -7.102 1.00 0.00 O ATOM 1080 CB SER A 68 2.395 17.433 -7.977 1.00 0.00 C ATOM 1081 OG SER A 68 2.060 18.742 -7.538 1.00 0.00 O ATOM 0 H SER A 68 3.995 16.382 -5.703 1.00 0.00 H new ATOM 0 HA SER A 68 1.220 16.280 -6.580 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.417 17.433 -8.356 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.746 17.157 -8.808 1.00 0.00 H new ATOM 0 HG SER A 68 2.159 19.372 -8.282 1.00 0.00 H new ATOM 1087 N ALA A 69 2.054 14.298 -8.180 1.00 0.00 N ATOM 1088 CA ALA A 69 2.551 13.135 -8.906 1.00 0.00 C ATOM 1089 C ALA A 69 1.657 12.848 -10.110 1.00 0.00 C ATOM 1090 O ALA A 69 0.492 13.262 -10.133 1.00 0.00 O ATOM 1091 CB ALA A 69 2.607 11.917 -7.973 1.00 0.00 C ATOM 0 H ALA A 69 1.064 14.486 -8.337 1.00 0.00 H new ATOM 0 HA ALA A 69 3.559 13.343 -9.265 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.979 11.053 -8.524 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.274 12.129 -7.137 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.608 11.702 -7.594 1.00 0.00 H new ATOM 1097 N SER A 70 2.194 12.126 -11.093 1.00 0.00 N ATOM 1098 CA SER A 70 1.504 11.783 -12.332 1.00 0.00 C ATOM 1099 C SER A 70 2.195 10.598 -13.012 1.00 0.00 C ATOM 1100 O SER A 70 3.398 10.400 -12.840 1.00 0.00 O ATOM 1101 CB SER A 70 1.477 13.011 -13.262 1.00 0.00 C ATOM 1102 OG SER A 70 2.699 13.743 -13.269 1.00 0.00 O ATOM 0 H SER A 70 3.143 11.756 -11.047 1.00 0.00 H new ATOM 0 HA SER A 70 0.478 11.491 -12.107 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.252 12.684 -14.277 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.668 13.673 -12.954 1.00 0.00 H new ATOM 0 HG SER A 70 2.619 14.507 -13.878 1.00 0.00 H new ATOM 1108 N SER A 71 1.457 9.809 -13.798 1.00 0.00 N ATOM 1109 CA SER A 71 2.024 8.785 -14.674 1.00 0.00 C ATOM 1110 C SER A 71 3.063 9.427 -15.609 1.00 0.00 C ATOM 1111 O SER A 71 2.907 10.589 -16.000 1.00 0.00 O ATOM 1112 CB SER A 71 0.894 8.122 -15.475 1.00 0.00 C ATOM 1113 OG SER A 71 -0.162 7.719 -14.613 1.00 0.00 O ATOM 0 H SER A 71 0.440 9.865 -13.843 1.00 0.00 H new ATOM 0 HA SER A 71 2.525 8.019 -14.082 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.514 8.818 -16.223 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.282 7.257 -16.013 1.00 0.00 H new ATOM 0 HG SER A 71 -0.874 7.300 -15.141 1.00 0.00 H new ATOM 1119 N TYR A 72 4.133 8.697 -15.947 1.00 0.00 N ATOM 1120 CA TYR A 72 5.265 9.294 -16.645 1.00 0.00 C ATOM 1121 C TYR A 72 4.859 9.816 -18.024 1.00 0.00 C ATOM 1122 O TYR A 72 4.123 9.161 -18.766 1.00 0.00 O ATOM 1123 CB TYR A 72 6.439 8.313 -16.772 1.00 0.00 C ATOM 1124 CG TYR A 72 7.573 8.860 -17.628 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.451 9.830 -17.107 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.692 8.469 -18.976 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.450 10.399 -17.918 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.686 9.035 -19.795 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.576 9.999 -19.268 1.00 0.00 C ATOM 1130 OH TYR A 72 10.547 10.527 -20.064 1.00 0.00 O ATOM 0 H TYR A 72 4.233 7.702 -15.748 1.00 0.00 H new ATOM 0 HA TYR A 72 5.596 10.139 -16.041 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.820 8.079 -15.778 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.081 7.379 -17.205 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.357 10.140 -16.077 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.017 7.731 -19.383 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.120 11.141 -17.509 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.769 8.733 -20.828 1.00 0.00 H new ATOM 0 HH TYR A 72 10.484 10.135 -20.960 1.00 0.00 H new ATOM 1140 N SER A 73 5.376 10.992 -18.372 1.00 0.00 N ATOM 1141 CA SER A 73 5.359 11.572 -19.703 1.00 0.00 C ATOM 1142 C SER A 73 6.523 12.572 -19.742 1.00 0.00 C ATOM 1143 O SER A 73 6.745 13.252 -18.737 1.00 0.00 O ATOM 1144 CB SER A 73 4.016 12.267 -19.951 1.00 0.00 C ATOM 1145 OG SER A 73 2.976 11.313 -20.082 1.00 0.00 O ATOM 0 H SER A 73 5.842 11.594 -17.693 1.00 0.00 H new ATOM 0 HA SER A 73 5.473 10.818 -20.482 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.793 12.944 -19.126 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.076 12.874 -20.855 1.00 0.00 H new ATOM 0 HG SER A 73 3.232 10.485 -19.625 1.00 0.00 H new ATOM 1151 N PRO A 74 7.275 12.682 -20.851 1.00 0.00 N ATOM 1152 CA PRO A 74 8.510 13.461 -20.880 1.00 0.00 C ATOM 1153 C PRO A 74 8.259 14.949 -20.634 1.00 0.00 C ATOM 1154 O PRO A 74 8.938 15.570 -19.817 1.00 0.00 O ATOM 1155 CB PRO A 74 9.133 13.213 -22.259 1.00 0.00 C ATOM 1156 CG PRO A 74 7.998 12.646 -23.112 1.00 0.00 C ATOM 1157 CD PRO A 74 7.089 11.959 -22.099 1.00 0.00 C ATOM 0 HA PRO A 74 9.182 13.151 -20.080 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.524 14.136 -22.687 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.966 12.513 -22.195 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.472 13.433 -23.652 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.370 11.943 -23.857 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.048 11.993 -22.420 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.353 10.908 -21.986 1.00 0.00 H new ATOM 1165 N ASP A 75 7.259 15.517 -21.311 1.00 0.00 N ATOM 1166 CA ASP A 75 6.884 16.917 -21.132 1.00 0.00 C ATOM 1167 C ASP A 75 6.443 17.180 -19.691 1.00 0.00 C ATOM 1168 O ASP A 75 6.846 18.174 -19.091 1.00 0.00 O ATOM 1169 CB ASP A 75 5.762 17.290 -22.104 1.00 0.00 C ATOM 1170 CG ASP A 75 5.280 18.731 -21.865 1.00 0.00 C ATOM 1171 OD1 ASP A 75 6.006 19.682 -22.230 1.00 0.00 O ATOM 1172 OD2 ASP A 75 4.151 18.913 -21.360 1.00 0.00 O ATOM 0 H ASP A 75 6.690 15.020 -21.996 1.00 0.00 H new ATOM 0 HA ASP A 75 7.756 17.536 -21.342 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.116 17.187 -23.130 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.927 16.599 -21.984 1.00 0.00 H new ATOM 1177 N GLU A 76 5.657 16.269 -19.111 1.00 0.00 N ATOM 1178 CA GLU A 76 5.115 16.430 -17.766 1.00 0.00 C ATOM 1179 C GLU A 76 6.217 16.310 -16.704 1.00 0.00 C ATOM 1180 O GLU A 76 6.173 16.983 -15.671 1.00 0.00 O ATOM 1181 CB GLU A 76 4.004 15.387 -17.553 1.00 0.00 C ATOM 1182 CG GLU A 76 3.086 15.696 -16.364 1.00 0.00 C ATOM 1183 CD GLU A 76 2.236 16.957 -16.594 1.00 0.00 C ATOM 1184 OE1 GLU A 76 2.750 18.078 -16.382 1.00 0.00 O ATOM 1185 OE2 GLU A 76 1.049 16.834 -16.975 1.00 0.00 O ATOM 0 H GLU A 76 5.380 15.398 -19.565 1.00 0.00 H new ATOM 0 HA GLU A 76 4.692 17.429 -17.660 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.401 15.322 -18.459 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.461 14.409 -17.403 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.429 14.845 -16.185 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.690 15.827 -15.466 1.00 0.00 H new ATOM 1192 N TRP A 77 7.220 15.466 -16.956 1.00 0.00 N ATOM 1193 CA TRP A 77 8.419 15.355 -16.142 1.00 0.00 C ATOM 1194 C TRP A 77 9.165 16.687 -16.166 1.00 0.00 C ATOM 1195 O TRP A 77 9.496 17.228 -15.109 1.00 0.00 O ATOM 1196 CB TRP A 77 9.263 14.185 -16.681 1.00 0.00 C ATOM 1197 CG TRP A 77 10.699 14.101 -16.267 1.00 0.00 C ATOM 1198 CD1 TRP A 77 11.177 14.243 -15.013 1.00 0.00 C ATOM 1199 CD2 TRP A 77 11.868 13.853 -17.110 1.00 0.00 C ATOM 1200 NE1 TRP A 77 12.549 14.096 -15.020 1.00 0.00 N ATOM 1201 CE2 TRP A 77 13.031 13.840 -16.284 1.00 0.00 C ATOM 1202 CE3 TRP A 77 12.064 13.644 -18.493 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 14.318 13.616 -16.799 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 13.350 13.416 -19.022 1.00 0.00 C ATOM 1205 CH2 TRP A 77 14.475 13.398 -18.178 1.00 0.00 C ATOM 0 H TRP A 77 7.215 14.828 -17.752 1.00 0.00 H new ATOM 0 HA TRP A 77 8.181 15.142 -15.100 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.775 13.257 -16.382 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.232 14.225 -17.770 1.00 0.00 H new ATOM 0 HD1 TRP A 77 10.577 14.441 -14.137 1.00 0.00 H new ATOM 0 HE1 TRP A 77 13.136 14.168 -14.189 1.00 0.00 H new ATOM 0 HE3 TRP A 77 11.213 13.659 -19.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 15.176 13.611 -16.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 13.473 13.254 -20.083 1.00 0.00 H new ATOM 0 HH2 TRP A 77 15.457 13.217 -18.589 1.00 0.00 H new ATOM 1216 N GLU A 78 9.395 17.250 -17.352 1.00 0.00 N ATOM 1217 CA GLU A 78 10.193 18.460 -17.475 1.00 0.00 C ATOM 1218 C GLU A 78 9.473 19.694 -16.943 1.00 0.00 C ATOM 1219 O GLU A 78 10.114 20.552 -16.337 1.00 0.00 O ATOM 1220 CB GLU A 78 10.679 18.637 -18.915 1.00 0.00 C ATOM 1221 CG GLU A 78 11.752 17.587 -19.250 1.00 0.00 C ATOM 1222 CD GLU A 78 12.374 17.835 -20.636 1.00 0.00 C ATOM 1223 OE1 GLU A 78 11.804 17.402 -21.663 1.00 0.00 O ATOM 1224 OE2 GLU A 78 13.456 18.460 -20.715 1.00 0.00 O ATOM 0 H GLU A 78 9.039 16.886 -18.236 1.00 0.00 H new ATOM 0 HA GLU A 78 11.072 18.343 -16.841 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.839 18.541 -19.604 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.087 19.639 -19.048 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.534 17.609 -18.491 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.309 16.591 -19.222 1.00 0.00 H new ATOM 1231 N ARG A 79 8.148 19.767 -17.070 1.00 0.00 N ATOM 1232 CA ARG A 79 7.360 20.789 -16.392 1.00 0.00 C ATOM 1233 C ARG A 79 7.600 20.744 -14.886 1.00 0.00 C ATOM 1234 O ARG A 79 7.901 21.775 -14.287 1.00 0.00 O ATOM 1235 CB ARG A 79 5.882 20.551 -16.687 1.00 0.00 C ATOM 1236 CG ARG A 79 5.470 21.055 -18.076 1.00 0.00 C ATOM 1237 CD ARG A 79 3.976 20.822 -18.313 1.00 0.00 C ATOM 1238 NE ARG A 79 3.159 21.890 -17.700 1.00 0.00 N ATOM 1239 CZ ARG A 79 2.462 21.843 -16.557 1.00 0.00 C ATOM 1240 NH1 ARG A 79 2.339 20.724 -15.850 1.00 0.00 N ATOM 1241 NH2 ARG A 79 1.880 22.953 -16.111 1.00 0.00 N ATOM 0 H ARG A 79 7.598 19.125 -17.640 1.00 0.00 H new ATOM 0 HA ARG A 79 7.660 21.772 -16.756 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.667 19.485 -16.613 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.279 21.051 -15.929 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.696 22.118 -18.165 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.050 20.540 -18.842 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.778 20.780 -19.384 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.686 19.857 -17.898 1.00 0.00 H new ATOM 0 HE ARG A 79 3.121 22.772 -18.210 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.783 19.865 -16.174 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.801 20.725 -14.984 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.968 23.822 -16.638 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.345 22.935 -15.242 1.00 0.00 H new ATOM 1255 N GLN A 80 7.507 19.564 -14.266 1.00 0.00 N ATOM 1256 CA GLN A 80 7.750 19.427 -12.835 1.00 0.00 C ATOM 1257 C GLN A 80 9.190 19.853 -12.506 1.00 0.00 C ATOM 1258 O GLN A 80 9.412 20.543 -11.509 1.00 0.00 O ATOM 1259 CB GLN A 80 7.400 18.000 -12.365 1.00 0.00 C ATOM 1260 CG GLN A 80 5.876 17.782 -12.393 1.00 0.00 C ATOM 1261 CD GLN A 80 5.441 16.331 -12.193 1.00 0.00 C ATOM 1262 OE1 GLN A 80 5.283 15.853 -11.072 1.00 0.00 O ATOM 1263 NE2 GLN A 80 5.194 15.620 -13.282 1.00 0.00 N ATOM 0 H GLN A 80 7.265 18.692 -14.737 1.00 0.00 H new ATOM 0 HA GLN A 80 7.095 20.095 -12.277 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.890 17.269 -13.008 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.778 17.840 -11.355 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.419 18.396 -11.616 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.488 18.136 -13.348 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.331 16.035 -14.204 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.866 14.658 -13.199 1.00 0.00 H new ATOM 1272 N CYS A 81 10.167 19.529 -13.363 1.00 0.00 N ATOM 1273 CA CYS A 81 11.552 19.960 -13.174 1.00 0.00 C ATOM 1274 C CYS A 81 11.704 21.484 -13.262 1.00 0.00 C ATOM 1275 O CYS A 81 12.511 22.051 -12.526 1.00 0.00 O ATOM 1276 CB CYS A 81 12.473 19.284 -14.195 1.00 0.00 C ATOM 1277 SG CYS A 81 12.451 17.482 -13.967 1.00 0.00 S ATOM 0 H CYS A 81 10.018 18.965 -14.200 1.00 0.00 H new ATOM 0 HA CYS A 81 11.843 19.656 -12.168 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.152 19.533 -15.206 1.00 0.00 H new ATOM 0 HB3 CYS A 81 13.490 19.659 -14.082 1.00 0.00 H new ATOM 0 HG CYS A 81 11.305 17.009 -14.358 1.00 0.00 H new ATOM 1283 N LYS A 82 10.938 22.172 -14.117 1.00 0.00 N ATOM 1284 CA LYS A 82 10.948 23.623 -14.162 1.00 0.00 C ATOM 1285 C LYS A 82 10.424 24.148 -12.841 1.00 0.00 C ATOM 1286 O LYS A 82 11.067 25.020 -12.267 1.00 0.00 O ATOM 1287 CB LYS A 82 10.123 24.178 -15.338 1.00 0.00 C ATOM 1288 CG LYS A 82 10.863 24.175 -16.685 1.00 0.00 C ATOM 1289 CD LYS A 82 12.024 25.185 -16.719 1.00 0.00 C ATOM 1290 CE LYS A 82 12.559 25.349 -18.146 1.00 0.00 C ATOM 1291 NZ LYS A 82 13.678 26.318 -18.210 1.00 0.00 N ATOM 0 H LYS A 82 10.304 21.737 -14.787 1.00 0.00 H new ATOM 0 HA LYS A 82 11.972 23.960 -14.323 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.211 23.590 -15.436 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.821 25.199 -15.105 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.249 23.175 -16.882 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.159 24.408 -17.484 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.685 26.149 -16.340 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.825 24.848 -16.062 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.895 24.382 -18.521 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.753 25.682 -18.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.777 26.670 -19.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.484 27.116 -17.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.560 25.849 -17.920 1.00 0.00 H new ATOM 1305 N VAL A 83 9.324 23.601 -12.328 1.00 0.00 N ATOM 1306 CA VAL A 83 8.752 24.072 -11.076 1.00 0.00 C ATOM 1307 C VAL A 83 9.769 23.897 -9.938 1.00 0.00 C ATOM 1308 O VAL A 83 9.969 24.828 -9.155 1.00 0.00 O ATOM 1309 CB VAL A 83 7.390 23.397 -10.810 1.00 0.00 C ATOM 1310 CG1 VAL A 83 6.804 23.787 -9.446 1.00 0.00 C ATOM 1311 CG2 VAL A 83 6.366 23.795 -11.888 1.00 0.00 C ATOM 0 H VAL A 83 8.814 22.832 -12.762 1.00 0.00 H new ATOM 0 HA VAL A 83 8.541 25.140 -11.140 1.00 0.00 H new ATOM 0 HB VAL A 83 7.576 22.323 -10.828 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.846 23.287 -9.305 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.491 23.485 -8.655 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.659 24.867 -9.408 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.413 23.308 -11.682 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.231 24.877 -11.880 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.729 23.482 -12.867 1.00 0.00 H new ATOM 1321 N ALA A 84 10.479 22.763 -9.888 1.00 0.00 N ATOM 1322 CA ALA A 84 11.585 22.545 -8.958 1.00 0.00 C ATOM 1323 C ALA A 84 12.653 23.639 -9.086 1.00 0.00 C ATOM 1324 O ALA A 84 13.098 24.195 -8.082 1.00 0.00 O ATOM 1325 CB ALA A 84 12.174 21.152 -9.198 1.00 0.00 C ATOM 0 H ALA A 84 10.297 21.966 -10.499 1.00 0.00 H new ATOM 0 HA ALA A 84 11.208 22.600 -7.937 1.00 0.00 H new ATOM 0 HB1 ALA A 84 13.000 20.982 -8.507 1.00 0.00 H new ATOM 0 HB2 ALA A 84 11.404 20.398 -9.035 1.00 0.00 H new ATOM 0 HB3 ALA A 84 12.538 21.083 -10.223 1.00 0.00 H new ATOM 1331 N GLY A 85 13.018 23.999 -10.317 1.00 0.00 N ATOM 1332 CA GLY A 85 13.975 25.058 -10.613 1.00 0.00 C ATOM 1333 C GLY A 85 13.409 26.473 -10.459 1.00 0.00 C ATOM 1334 O GLY A 85 14.077 27.423 -10.863 1.00 0.00 O ATOM 0 H GLY A 85 12.646 23.550 -11.154 1.00 0.00 H new ATOM 0 HA2 GLY A 85 14.836 24.949 -9.954 1.00 0.00 H new ATOM 0 HA3 GLY A 85 14.336 24.932 -11.634 1.00 0.00 H new ATOM 1338 N LYS A 86 12.202 26.658 -9.905 1.00 0.00 N ATOM 1339 CA LYS A 86 11.528 27.960 -9.801 1.00 0.00 C ATOM 1340 C LYS A 86 11.320 28.610 -11.183 1.00 0.00 C ATOM 1341 O LYS A 86 11.326 29.835 -11.316 1.00 0.00 O ATOM 1342 CB LYS A 86 12.263 28.860 -8.783 1.00 0.00 C ATOM 1343 CG LYS A 86 11.336 29.878 -8.092 1.00 0.00 C ATOM 1344 CD LYS A 86 12.108 31.062 -7.481 1.00 0.00 C ATOM 1345 CE LYS A 86 13.208 30.660 -6.485 1.00 0.00 C ATOM 1346 NZ LYS A 86 12.689 30.297 -5.146 1.00 0.00 N ATOM 0 H LYS A 86 11.657 25.892 -9.509 1.00 0.00 H new ATOM 0 HA LYS A 86 10.521 27.811 -9.412 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.732 28.232 -8.025 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.064 29.395 -9.293 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.613 30.255 -8.815 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.770 29.375 -7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.559 31.640 -8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.400 31.719 -6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.764 29.815 -6.892 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.912 31.485 -6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.391 29.714 -4.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.506 31.162 -4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.805 29.760 -5.250 1.00 0.00 H new ATOM 1360 N THR A 87 11.131 27.779 -12.208 1.00 0.00 N ATOM 1361 CA THR A 87 10.753 28.143 -13.566 1.00 0.00 C ATOM 1362 C THR A 87 11.701 29.204 -14.154 1.00 0.00 C ATOM 1363 O THR A 87 11.286 30.307 -14.525 1.00 0.00 O ATOM 1364 CB THR A 87 9.244 28.470 -13.605 1.00 0.00 C ATOM 1365 OG1 THR A 87 8.527 27.519 -12.829 1.00 0.00 O ATOM 1366 CG2 THR A 87 8.671 28.418 -15.027 1.00 0.00 C ATOM 0 H THR A 87 11.246 26.771 -12.101 1.00 0.00 H new ATOM 0 HA THR A 87 10.884 27.301 -14.246 1.00 0.00 H new ATOM 0 HB THR A 87 9.135 29.481 -13.212 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.570 27.730 -12.855 1.00 0.00 H new ATOM 0 HG21 THR A 87 7.607 28.655 -15.000 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.189 29.143 -15.655 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.809 27.418 -15.439 1.00 0.00 H new ATOM 1374 N GLN A 88 13.000 28.872 -14.201 1.00 0.00 N ATOM 1375 CA GLN A 88 13.989 29.670 -14.922 1.00 0.00 C ATOM 1376 C GLN A 88 13.560 29.792 -16.385 1.00 0.00 C ATOM 1377 O GLN A 88 13.188 28.759 -16.984 1.00 0.00 O ATOM 1378 CB GLN A 88 15.403 29.060 -14.829 1.00 0.00 C ATOM 1379 CG GLN A 88 15.927 28.803 -13.407 1.00 0.00 C ATOM 1380 CD GLN A 88 15.903 30.042 -12.505 1.00 0.00 C ATOM 1381 OE1 GLN A 88 16.457 31.090 -12.834 1.00 0.00 O ATOM 1382 NE2 GLN A 88 15.260 29.958 -11.353 1.00 0.00 N ATOM 1383 OXT GLN A 88 13.618 30.911 -16.935 1.00 0.00 O ATOM 0 H GLN A 88 13.387 28.048 -13.742 1.00 0.00 H new ATOM 0 HA GLN A 88 14.036 30.657 -14.461 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.408 28.116 -15.374 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.100 29.726 -15.338 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.328 28.018 -12.946 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.949 28.430 -13.469 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.803 29.086 -11.087 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.221 30.765 -10.731 1.00 0.00 H new TER 1392 GLN A 88