USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 853 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 48 ASN :FLIP amide:sc= -0.0536 F(o=-4.5!,f=-1.5) USER MOD Set 1.2: A 79 GLN :FLIP amide:sc= -1.45 F(o=-4.2!,f=-1.5) USER MOD Single : A 1 MET CE :methyl 145:sc= -0.104 (180deg=-0.715) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0294 (180deg=-0.217) USER MOD Single : A 5 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 178:sc= -0.293 (180deg=-0.303) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 170:sc= 0.14 USER MOD Single : A 19 MET CE :methyl 140:sc= -0.317 (180deg=-2.47!) USER MOD Single : A 30 SER OG : rot 83:sc= 0.807 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -6.33! C(o=-11!,f=-6.3!) USER MOD Single : A 50 GLN : amide:sc= -4.87 K(o=-4.9,f=-15!) USER MOD Single : A 60 LYS NZ :NH3+ -108:sc= -0.501 (180deg=-0.627) USER MOD Single : A 66 SER OG : rot 120:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 44:sc= 1.11 USER MOD Single : A 89 MET CE :methyl 174:sc= -2.67! (180deg=-2.83!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -164:sc= -0.0326 (180deg=-0.264) USER MOD Single : A 106 ASN : amide:sc= -0.0666 X(o=-0.067,f=0) USER MOD Single : A 107 TYR OH : rot -119:sc= -0.671 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0306 USER MOD Single : A 111 HIS : no HD1:sc= -0.0165 X(o=-0.016,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.641 9.382 -3.264 1.00 0.00 N ATOM 2 CA MET A 1 -5.242 10.772 -3.602 1.00 0.00 C ATOM 3 C MET A 1 -5.035 10.930 -5.105 1.00 0.00 C ATOM 4 O MET A 1 -5.282 11.996 -5.668 1.00 0.00 O ATOM 5 CB MET A 1 -3.956 11.145 -2.860 1.00 0.00 C ATOM 6 CG MET A 1 -3.490 12.568 -3.119 1.00 0.00 C ATOM 7 SD MET A 1 -1.981 12.982 -2.224 1.00 0.00 S ATOM 8 CE MET A 1 -0.848 11.755 -2.874 1.00 0.00 C ATOM 0 H1 MET A 1 -5.987 9.349 -2.284 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.396 9.071 -3.908 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.820 8.751 -3.363 1.00 0.00 H new ATOM 0 HA MET A 1 -6.045 11.441 -3.292 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.114 11.013 -1.790 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.165 10.454 -3.153 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.322 12.702 -4.188 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.280 13.262 -2.832 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.150 12.186 -2.952 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.820 10.895 -2.205 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.184 11.437 -3.861 1.00 0.00 H new ATOM 18 N ALA A 2 -4.581 9.859 -5.750 1.00 0.00 N ATOM 19 CA ALA A 2 -4.336 9.875 -7.188 1.00 0.00 C ATOM 20 C ALA A 2 -5.611 10.176 -7.969 1.00 0.00 C ATOM 21 O ALA A 2 -5.562 10.744 -9.061 1.00 0.00 O ATOM 22 CB ALA A 2 -3.747 8.546 -7.636 1.00 0.00 C ATOM 0 H ALA A 2 -4.375 8.968 -5.298 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.621 10.671 -7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.569 8.571 -8.711 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.805 8.372 -7.116 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.445 7.742 -7.402 1.00 0.00 H new ATOM 28 N ASP A 3 -6.753 9.797 -7.403 1.00 0.00 N ATOM 29 CA ASP A 3 -8.040 10.022 -8.054 1.00 0.00 C ATOM 30 C ASP A 3 -9.011 10.730 -7.112 1.00 0.00 C ATOM 31 O ASP A 3 -10.217 10.760 -7.360 1.00 0.00 O ATOM 32 CB ASP A 3 -8.634 8.688 -8.515 1.00 0.00 C ATOM 33 CG ASP A 3 -9.858 8.865 -9.393 1.00 0.00 C ATOM 34 OD1 ASP A 3 -9.690 9.181 -10.589 1.00 0.00 O ATOM 35 OD2 ASP A 3 -10.984 8.689 -8.882 1.00 0.00 O ATOM 0 H ASP A 3 -6.814 9.333 -6.496 1.00 0.00 H new ATOM 0 HA ASP A 3 -7.878 10.662 -8.922 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.877 8.128 -9.063 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.901 8.093 -7.642 1.00 0.00 H new ATOM 40 N GLU A 4 -8.475 11.305 -6.036 1.00 0.00 N ATOM 41 CA GLU A 4 -9.289 12.011 -5.048 1.00 0.00 C ATOM 42 C GLU A 4 -10.261 11.057 -4.360 1.00 0.00 C ATOM 43 O GLU A 4 -10.650 10.035 -4.926 1.00 0.00 O ATOM 44 CB GLU A 4 -10.063 13.163 -5.701 1.00 0.00 C ATOM 45 CG GLU A 4 -9.184 14.321 -6.147 1.00 0.00 C ATOM 46 CD GLU A 4 -8.229 13.940 -7.261 1.00 0.00 C ATOM 47 OE1 GLU A 4 -8.667 13.898 -8.430 1.00 0.00 O ATOM 48 OE2 GLU A 4 -7.043 13.685 -6.965 1.00 0.00 O ATOM 0 H GLU A 4 -7.477 11.295 -5.826 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.614 12.423 -4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.607 12.779 -6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.806 13.534 -4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.817 15.143 -6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.612 14.686 -5.294 1.00 0.00 H new ATOM 55 N ASN A 5 -10.647 11.394 -3.134 1.00 0.00 N ATOM 56 CA ASN A 5 -11.576 10.565 -2.375 1.00 0.00 C ATOM 57 C ASN A 5 -12.945 10.532 -3.047 1.00 0.00 C ATOM 58 O ASN A 5 -13.805 11.368 -2.768 1.00 0.00 O ATOM 59 CB ASN A 5 -11.707 11.088 -0.942 1.00 0.00 C ATOM 60 CG ASN A 5 -10.384 11.093 -0.198 1.00 0.00 C ATOM 61 OD1 ASN A 5 -9.505 10.157 -0.541 1.00 0.00 O flip ATOM 62 ND2 ASN A 5 -10.155 11.928 0.676 1.00 0.00 N flip ATOM 0 H ASN A 5 -10.332 12.233 -2.646 1.00 0.00 H new ATOM 0 HA ASN A 5 -11.181 9.550 -2.346 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -12.111 12.100 -0.964 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.423 10.471 -0.398 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.858 12.629 0.908 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.262 11.919 1.169 1.00 0.00 H new ATOM 69 N LYS A 6 -13.141 9.563 -3.939 1.00 0.00 N ATOM 70 CA LYS A 6 -14.406 9.425 -4.655 1.00 0.00 C ATOM 71 C LYS A 6 -14.721 7.960 -4.950 1.00 0.00 C ATOM 72 O LYS A 6 -15.622 7.659 -5.734 1.00 0.00 O ATOM 73 CB LYS A 6 -14.363 10.213 -5.966 1.00 0.00 C ATOM 74 CG LYS A 6 -14.340 11.722 -5.778 1.00 0.00 C ATOM 75 CD LYS A 6 -14.372 12.449 -7.114 1.00 0.00 C ATOM 76 CE LYS A 6 -14.279 13.955 -6.934 1.00 0.00 C ATOM 77 NZ LYS A 6 -12.968 14.366 -6.358 1.00 0.00 N ATOM 0 H LYS A 6 -12.440 8.863 -4.183 1.00 0.00 H new ATOM 0 HA LYS A 6 -15.193 9.825 -4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.479 9.914 -6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -15.231 9.945 -6.568 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -15.195 12.028 -5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.443 12.008 -5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.546 12.105 -7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -15.293 12.201 -7.642 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.422 14.445 -7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.084 14.293 -6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.932 15.403 -6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.857 13.946 -5.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.199 14.037 -6.976 1.00 0.00 H new ATOM 91 N TRP A 7 -13.982 7.053 -4.320 1.00 0.00 N ATOM 92 CA TRP A 7 -14.192 5.623 -4.523 1.00 0.00 C ATOM 93 C TRP A 7 -14.551 4.921 -3.215 1.00 0.00 C ATOM 94 O TRP A 7 -14.344 3.716 -3.071 1.00 0.00 O ATOM 95 CB TRP A 7 -12.944 4.979 -5.137 1.00 0.00 C ATOM 96 CG TRP A 7 -11.656 5.397 -4.488 1.00 0.00 C ATOM 97 CD1 TRP A 7 -11.456 5.708 -3.173 1.00 0.00 C ATOM 98 CD2 TRP A 7 -10.385 5.542 -5.132 1.00 0.00 C ATOM 99 NE1 TRP A 7 -10.140 6.044 -2.962 1.00 0.00 N ATOM 100 CE2 TRP A 7 -9.461 5.947 -4.149 1.00 0.00 C ATOM 101 CE3 TRP A 7 -9.939 5.368 -6.445 1.00 0.00 C ATOM 102 CZ2 TRP A 7 -8.120 6.182 -4.440 1.00 0.00 C ATOM 103 CZ3 TRP A 7 -8.606 5.600 -6.731 1.00 0.00 C ATOM 104 CH2 TRP A 7 -7.710 6.003 -5.734 1.00 0.00 C ATOM 0 H TRP A 7 -13.234 7.281 -3.666 1.00 0.00 H new ATOM 0 HA TRP A 7 -15.029 5.507 -5.212 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -13.037 3.895 -5.070 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -12.903 5.230 -6.197 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -12.220 5.692 -2.410 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -9.735 6.321 -2.068 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -10.622 5.058 -7.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -7.428 6.494 -3.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -8.250 5.468 -7.742 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -6.675 6.176 -5.990 1.00 0.00 H new ATOM 115 N VAL A 8 -15.100 5.678 -2.270 1.00 0.00 N ATOM 116 CA VAL A 8 -15.483 5.122 -0.976 1.00 0.00 C ATOM 117 C VAL A 8 -16.881 4.515 -1.018 1.00 0.00 C ATOM 118 O VAL A 8 -17.146 3.509 -0.360 1.00 0.00 O ATOM 119 CB VAL A 8 -15.424 6.191 0.135 1.00 0.00 C ATOM 120 CG1 VAL A 8 -16.460 7.279 -0.103 1.00 0.00 C ATOM 121 CG2 VAL A 8 -15.617 5.550 1.502 1.00 0.00 C ATOM 0 H VAL A 8 -15.289 6.675 -2.375 1.00 0.00 H new ATOM 0 HA VAL A 8 -14.764 4.334 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.438 6.655 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -16.398 8.021 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -16.269 7.760 -1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -17.456 6.837 -0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.572 6.318 2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.588 5.055 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.829 4.817 1.674 1.00 0.00 H new ATOM 131 N ARG A 9 -17.771 5.122 -1.795 1.00 0.00 N ATOM 132 CA ARG A 9 -19.137 4.625 -1.904 1.00 0.00 C ATOM 133 C ARG A 9 -19.776 5.047 -3.220 1.00 0.00 C ATOM 134 O ARG A 9 -20.863 4.585 -3.561 1.00 0.00 O ATOM 135 CB ARG A 9 -19.972 5.112 -0.715 1.00 0.00 C ATOM 136 CG ARG A 9 -21.412 4.622 -0.727 1.00 0.00 C ATOM 137 CD ARG A 9 -22.150 5.033 0.536 1.00 0.00 C ATOM 138 NE ARG A 9 -21.583 4.410 1.729 1.00 0.00 N ATOM 139 CZ ARG A 9 -22.223 4.324 2.892 1.00 0.00 C ATOM 140 NH1 ARG A 9 -23.446 4.823 3.019 1.00 0.00 N ATOM 141 NH2 ARG A 9 -21.641 3.737 3.929 1.00 0.00 N ATOM 0 H ARG A 9 -17.574 5.952 -2.354 1.00 0.00 H new ATOM 0 HA ARG A 9 -19.105 3.536 -1.888 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -19.495 4.784 0.209 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -19.970 6.202 -0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -21.928 5.025 -1.599 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -21.427 3.536 -0.822 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -22.113 6.117 0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -23.201 4.757 0.448 1.00 0.00 H new ATOM 0 HE ARG A 9 -20.643 4.019 1.667 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -23.898 5.274 2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -23.934 4.755 3.912 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -20.702 3.351 3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -22.133 3.672 4.820 1.00 0.00 H new ATOM 155 N ARG A 10 -19.118 5.936 -3.955 1.00 0.00 N ATOM 156 CA ARG A 10 -19.640 6.345 -5.248 1.00 0.00 C ATOM 157 C ARG A 10 -19.695 5.111 -6.129 1.00 0.00 C ATOM 158 O ARG A 10 -18.656 4.589 -6.533 1.00 0.00 O ATOM 159 CB ARG A 10 -18.760 7.422 -5.885 1.00 0.00 C ATOM 160 CG ARG A 10 -18.630 8.676 -5.037 1.00 0.00 C ATOM 161 CD ARG A 10 -17.938 9.795 -5.799 1.00 0.00 C ATOM 162 NE ARG A 10 -18.782 10.341 -6.859 1.00 0.00 N ATOM 163 CZ ARG A 10 -18.618 11.552 -7.380 1.00 0.00 C ATOM 164 NH1 ARG A 10 -17.639 12.336 -6.948 1.00 0.00 N ATOM 165 NH2 ARG A 10 -19.431 11.981 -8.336 1.00 0.00 N ATOM 0 H ARG A 10 -18.240 6.378 -3.683 1.00 0.00 H new ATOM 0 HA ARG A 10 -20.634 6.777 -5.129 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -17.767 7.010 -6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -19.174 7.691 -6.857 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -19.619 9.007 -4.721 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -18.066 8.448 -4.132 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -17.667 10.591 -5.106 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.011 9.419 -6.232 1.00 0.00 H new ATOM 0 HE ARG A 10 -19.539 9.760 -7.219 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -17.010 12.009 -6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.515 13.265 -7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -20.184 11.381 -8.673 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -19.303 12.911 -8.735 1.00 0.00 H new ATOM 179 N ASP A 11 -20.906 4.635 -6.408 1.00 0.00 N ATOM 180 CA ASP A 11 -21.078 3.422 -7.193 1.00 0.00 C ATOM 181 C ASP A 11 -20.542 2.246 -6.385 1.00 0.00 C ATOM 182 O ASP A 11 -20.051 1.261 -6.938 1.00 0.00 O ATOM 183 CB ASP A 11 -20.344 3.525 -8.532 1.00 0.00 C ATOM 184 CG ASP A 11 -20.820 4.698 -9.365 1.00 0.00 C ATOM 185 OD1 ASP A 11 -20.421 5.842 -9.063 1.00 0.00 O ATOM 186 OD2 ASP A 11 -21.594 4.473 -10.319 1.00 0.00 O ATOM 0 H ASP A 11 -21.777 5.070 -6.103 1.00 0.00 H new ATOM 0 HA ASP A 11 -22.136 3.278 -7.410 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -19.274 3.623 -8.350 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -20.488 2.602 -9.094 1.00 0.00 H new ATOM 191 N VAL A 12 -20.649 2.381 -5.061 1.00 0.00 N ATOM 192 CA VAL A 12 -20.176 1.371 -4.118 1.00 0.00 C ATOM 193 C VAL A 12 -20.528 -0.031 -4.584 1.00 0.00 C ATOM 194 O VAL A 12 -21.533 -0.239 -5.266 1.00 0.00 O ATOM 195 CB VAL A 12 -20.759 1.605 -2.708 1.00 0.00 C ATOM 196 CG1 VAL A 12 -22.276 1.688 -2.763 1.00 0.00 C ATOM 197 CG2 VAL A 12 -20.314 0.515 -1.743 1.00 0.00 C ATOM 0 H VAL A 12 -21.068 3.197 -4.614 1.00 0.00 H new ATOM 0 HA VAL A 12 -19.091 1.464 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 12 -20.375 2.556 -2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -22.668 1.853 -1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -22.572 2.515 -3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -22.677 0.756 -3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -20.740 0.705 -0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -20.657 -0.454 -2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -19.226 0.512 -1.674 1.00 0.00 H new ATOM 207 N SER A 13 -19.698 -0.993 -4.205 1.00 0.00 N ATOM 208 CA SER A 13 -19.909 -2.369 -4.608 1.00 0.00 C ATOM 209 C SER A 13 -18.998 -3.314 -3.830 1.00 0.00 C ATOM 210 O SER A 13 -19.448 -4.031 -2.936 1.00 0.00 O ATOM 211 CB SER A 13 -19.641 -2.483 -6.102 1.00 0.00 C ATOM 212 OG SER A 13 -20.097 -3.722 -6.618 1.00 0.00 O ATOM 0 H SER A 13 -18.876 -0.843 -3.621 1.00 0.00 H new ATOM 0 HA SER A 13 -20.938 -2.655 -4.391 1.00 0.00 H new ATOM 0 HB2 SER A 13 -20.137 -1.665 -6.625 1.00 0.00 H new ATOM 0 HB3 SER A 13 -18.572 -2.380 -6.290 1.00 0.00 H new ATOM 0 HG SER A 13 -19.912 -3.764 -7.579 1.00 0.00 H new ATOM 218 N THR A 14 -17.715 -3.306 -4.176 1.00 0.00 N ATOM 219 CA THR A 14 -16.738 -4.156 -3.510 1.00 0.00 C ATOM 220 C THR A 14 -16.552 -3.725 -2.059 1.00 0.00 C ATOM 221 O THR A 14 -17.019 -2.660 -1.655 1.00 0.00 O ATOM 222 CB THR A 14 -15.377 -4.113 -4.231 1.00 0.00 C ATOM 223 OG1 THR A 14 -15.574 -4.115 -5.650 1.00 0.00 O ATOM 224 CG2 THR A 14 -14.511 -5.303 -3.840 1.00 0.00 C ATOM 0 H THR A 14 -17.328 -2.719 -4.915 1.00 0.00 H new ATOM 0 HA THR A 14 -17.120 -5.177 -3.540 1.00 0.00 H new ATOM 0 HB THR A 14 -14.867 -3.198 -3.931 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.704 -4.086 -6.101 1.00 0.00 H new ATOM 0 HG21 THR A 14 -13.557 -5.246 -4.364 1.00 0.00 H new ATOM 0 HG22 THR A 14 -14.336 -5.288 -2.764 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.020 -6.228 -4.112 1.00 0.00 H new ATOM 232 N ALA A 15 -15.879 -4.558 -1.276 1.00 0.00 N ATOM 233 CA ALA A 15 -15.639 -4.258 0.129 1.00 0.00 C ATOM 234 C ALA A 15 -14.277 -3.606 0.336 1.00 0.00 C ATOM 235 O ALA A 15 -14.182 -2.450 0.745 1.00 0.00 O ATOM 236 CB ALA A 15 -15.745 -5.529 0.958 1.00 0.00 C ATOM 0 H ALA A 15 -15.490 -5.447 -1.590 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.400 -3.550 0.457 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.564 -5.295 2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.743 -5.953 0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.004 -6.251 0.614 1.00 0.00 H new ATOM 242 N LEU A 16 -13.225 -4.350 0.038 1.00 0.00 N ATOM 243 CA LEU A 16 -11.863 -3.865 0.216 1.00 0.00 C ATOM 244 C LEU A 16 -11.493 -2.795 -0.814 1.00 0.00 C ATOM 245 O LEU A 16 -10.586 -1.995 -0.583 1.00 0.00 O ATOM 246 CB LEU A 16 -10.892 -5.040 0.125 1.00 0.00 C ATOM 247 CG LEU A 16 -11.330 -6.291 0.892 1.00 0.00 C ATOM 248 CD1 LEU A 16 -10.501 -7.497 0.479 1.00 0.00 C ATOM 249 CD2 LEU A 16 -11.226 -6.059 2.392 1.00 0.00 C ATOM 0 H LEU A 16 -13.287 -5.299 -0.331 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.797 -3.401 1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.757 -5.302 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.920 -4.721 0.501 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.372 -6.495 0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.830 -8.373 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.628 -7.678 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.449 -7.306 0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.541 -6.958 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.194 -5.827 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.869 -5.226 2.677 1.00 0.00 H new ATOM 261 N SER A 17 -12.193 -2.782 -1.945 1.00 0.00 N ATOM 262 CA SER A 17 -11.912 -1.812 -3.002 1.00 0.00 C ATOM 263 C SER A 17 -12.670 -0.500 -2.795 1.00 0.00 C ATOM 264 O SER A 17 -12.077 0.578 -2.826 1.00 0.00 O ATOM 265 CB SER A 17 -12.265 -2.401 -4.369 1.00 0.00 C ATOM 266 OG SER A 17 -11.849 -1.544 -5.418 1.00 0.00 O ATOM 0 H SER A 17 -12.955 -3.428 -2.154 1.00 0.00 H new ATOM 0 HA SER A 17 -10.845 -1.591 -2.961 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.790 -3.376 -4.482 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.341 -2.562 -4.432 1.00 0.00 H new ATOM 0 HG SER A 17 -11.938 -2.010 -6.276 1.00 0.00 H new ATOM 272 N ARG A 18 -13.981 -0.594 -2.584 1.00 0.00 N ATOM 273 CA ARG A 18 -14.815 0.594 -2.398 1.00 0.00 C ATOM 274 C ARG A 18 -14.698 1.171 -0.990 1.00 0.00 C ATOM 275 O ARG A 18 -14.089 2.222 -0.795 1.00 0.00 O ATOM 276 CB ARG A 18 -16.279 0.272 -2.705 1.00 0.00 C ATOM 277 CG ARG A 18 -16.635 0.373 -4.182 1.00 0.00 C ATOM 278 CD ARG A 18 -15.825 -0.596 -5.028 1.00 0.00 C ATOM 279 NE ARG A 18 -16.271 -0.612 -6.417 1.00 0.00 N ATOM 280 CZ ARG A 18 -15.487 -0.931 -7.443 1.00 0.00 C ATOM 281 NH1 ARG A 18 -14.216 -1.248 -7.236 1.00 0.00 N ATOM 282 NH2 ARG A 18 -15.974 -0.931 -8.676 1.00 0.00 N ATOM 0 H ARG A 18 -14.489 -1.477 -2.537 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.451 1.349 -3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -16.500 -0.737 -2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -16.917 0.952 -2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -17.698 0.169 -4.314 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.460 1.391 -4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.772 -0.319 -4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.907 -1.599 -4.609 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.241 -0.364 -6.613 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.838 -1.247 -6.289 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.616 -1.492 -8.024 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.951 -0.686 -8.839 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.372 -1.176 -9.462 1.00 0.00 H new ATOM 296 N MET A 19 -15.282 0.483 -0.010 1.00 0.00 N ATOM 297 CA MET A 19 -15.252 0.953 1.374 1.00 0.00 C ATOM 298 C MET A 19 -13.873 0.775 2.007 1.00 0.00 C ATOM 299 O MET A 19 -13.761 0.617 3.223 1.00 0.00 O ATOM 300 CB MET A 19 -16.324 0.256 2.220 1.00 0.00 C ATOM 301 CG MET A 19 -16.088 -1.229 2.446 1.00 0.00 C ATOM 302 SD MET A 19 -17.232 -1.924 3.654 1.00 0.00 S ATOM 303 CE MET A 19 -16.579 -3.581 3.833 1.00 0.00 C ATOM 0 H MET A 19 -15.779 -0.397 -0.147 1.00 0.00 H new ATOM 0 HA MET A 19 -15.471 2.021 1.351 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.383 0.752 3.189 1.00 0.00 H new ATOM 0 HB3 MET A 19 -17.292 0.387 1.736 1.00 0.00 H new ATOM 0 HG2 MET A 19 -16.194 -1.760 1.500 1.00 0.00 H new ATOM 0 HG3 MET A 19 -15.064 -1.385 2.786 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.620 -3.877 4.881 1.00 0.00 H new ATOM 0 HE2 MET A 19 -17.174 -4.273 3.237 1.00 0.00 H new ATOM 0 HE3 MET A 19 -15.545 -3.603 3.490 1.00 0.00 H new ATOM 313 N GLY A 20 -12.829 0.788 1.177 1.00 0.00 N ATOM 314 CA GLY A 20 -11.471 0.645 1.678 1.00 0.00 C ATOM 315 C GLY A 20 -11.148 1.646 2.775 1.00 0.00 C ATOM 316 O GLY A 20 -12.025 2.386 3.221 1.00 0.00 O ATOM 0 H GLY A 20 -12.901 0.895 0.165 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.333 -0.366 2.061 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.768 0.773 0.855 1.00 0.00 H new ATOM 320 N ASP A 21 -9.883 1.682 3.195 1.00 0.00 N ATOM 321 CA ASP A 21 -9.447 2.582 4.263 1.00 0.00 C ATOM 322 C ASP A 21 -10.059 2.144 5.589 1.00 0.00 C ATOM 323 O ASP A 21 -9.366 1.608 6.454 1.00 0.00 O ATOM 324 CB ASP A 21 -9.822 4.035 3.952 1.00 0.00 C ATOM 325 CG ASP A 21 -9.353 4.995 5.027 1.00 0.00 C ATOM 326 OD1 ASP A 21 -8.191 5.445 4.955 1.00 0.00 O ATOM 327 OD2 ASP A 21 -10.149 5.296 5.942 1.00 0.00 O ATOM 0 H ASP A 21 -9.141 1.097 2.811 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.361 2.529 4.336 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.386 4.323 2.996 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.904 4.113 3.845 1.00 0.00 H new ATOM 332 N GLU A 22 -11.357 2.376 5.750 1.00 0.00 N ATOM 333 CA GLU A 22 -12.053 1.957 6.957 1.00 0.00 C ATOM 334 C GLU A 22 -12.056 0.434 7.020 1.00 0.00 C ATOM 335 O GLU A 22 -12.128 -0.162 8.095 1.00 0.00 O ATOM 336 CB GLU A 22 -13.489 2.487 6.964 1.00 0.00 C ATOM 337 CG GLU A 22 -13.579 4.004 6.984 1.00 0.00 C ATOM 338 CD GLU A 22 -12.982 4.608 8.241 1.00 0.00 C ATOM 339 OE1 GLU A 22 -13.725 4.768 9.233 1.00 0.00 O ATOM 340 OE2 GLU A 22 -11.772 4.919 8.234 1.00 0.00 O ATOM 0 H GLU A 22 -11.944 2.849 5.063 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.539 2.363 7.829 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.010 2.112 6.083 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.010 2.089 7.835 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.063 4.406 6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.624 4.303 6.903 1.00 0.00 H new ATOM 347 N ALA A 23 -11.973 -0.181 5.841 1.00 0.00 N ATOM 348 CA ALA A 23 -11.946 -1.631 5.716 1.00 0.00 C ATOM 349 C ALA A 23 -10.538 -2.112 5.378 1.00 0.00 C ATOM 350 O ALA A 23 -10.352 -3.217 4.866 1.00 0.00 O ATOM 351 CB ALA A 23 -12.932 -2.086 4.651 1.00 0.00 C ATOM 0 H ALA A 23 -11.923 0.313 4.950 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.239 -2.067 6.671 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.902 -3.172 4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.938 -1.771 4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.664 -1.641 3.693 1.00 0.00 H new ATOM 357 N PHE A 24 -9.550 -1.268 5.663 1.00 0.00 N ATOM 358 CA PHE A 24 -8.159 -1.592 5.395 1.00 0.00 C ATOM 359 C PHE A 24 -7.711 -2.789 6.219 1.00 0.00 C ATOM 360 O PHE A 24 -6.967 -3.640 5.743 1.00 0.00 O ATOM 361 CB PHE A 24 -7.273 -0.389 5.711 1.00 0.00 C ATOM 362 CG PHE A 24 -5.939 -0.445 5.039 1.00 0.00 C ATOM 363 CD1 PHE A 24 -5.004 -1.398 5.404 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.623 0.449 4.034 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.778 -1.457 4.779 1.00 0.00 C ATOM 366 CE2 PHE A 24 -4.398 0.396 3.407 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.474 -0.559 3.778 1.00 0.00 C ATOM 0 H PHE A 24 -9.693 -0.349 6.082 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.066 -1.845 4.339 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.788 0.522 5.407 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.127 -0.327 6.789 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.238 -2.103 6.188 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.344 1.197 3.737 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.056 -2.205 5.072 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.161 1.102 2.625 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.514 -0.603 3.285 1.00 0.00 H new ATOM 377 N GLU A 25 -8.162 -2.839 7.462 1.00 0.00 N ATOM 378 CA GLU A 25 -7.796 -3.924 8.360 1.00 0.00 C ATOM 379 C GLU A 25 -8.173 -5.297 7.794 1.00 0.00 C ATOM 380 O GLU A 25 -7.313 -6.172 7.711 1.00 0.00 O ATOM 381 CB GLU A 25 -8.439 -3.727 9.722 1.00 0.00 C ATOM 382 CG GLU A 25 -7.799 -2.627 10.551 1.00 0.00 C ATOM 383 CD GLU A 25 -8.404 -2.514 11.938 1.00 0.00 C ATOM 384 OE1 GLU A 25 -8.076 -3.357 12.799 1.00 0.00 O ATOM 385 OE2 GLU A 25 -9.204 -1.581 12.163 1.00 0.00 O ATOM 0 H GLU A 25 -8.782 -2.141 7.873 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.711 -3.899 8.466 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.495 -3.497 9.584 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.387 -4.664 10.277 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.730 -2.819 10.640 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.910 -1.675 10.032 1.00 0.00 H new ATOM 392 N PRO A 26 -9.461 -5.526 7.426 1.00 0.00 N ATOM 393 CA PRO A 26 -9.906 -6.803 6.857 1.00 0.00 C ATOM 394 C PRO A 26 -8.862 -7.408 5.927 1.00 0.00 C ATOM 395 O PRO A 26 -8.758 -8.626 5.789 1.00 0.00 O ATOM 396 CB PRO A 26 -11.154 -6.406 6.075 1.00 0.00 C ATOM 397 CG PRO A 26 -11.729 -5.251 6.827 1.00 0.00 C ATOM 398 CD PRO A 26 -10.586 -4.577 7.550 1.00 0.00 C ATOM 0 HA PRO A 26 -10.082 -7.563 7.618 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.906 -6.126 5.051 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.863 -7.232 6.017 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.219 -4.554 6.147 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.485 -5.590 7.535 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.345 -3.614 7.100 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -10.833 -4.388 8.595 1.00 0.00 H new ATOM 406 N LEU A 27 -8.097 -6.530 5.295 1.00 0.00 N ATOM 407 CA LEU A 27 -7.038 -6.930 4.382 1.00 0.00 C ATOM 408 C LEU A 27 -5.868 -7.543 5.144 1.00 0.00 C ATOM 409 O LEU A 27 -5.493 -8.692 4.912 1.00 0.00 O ATOM 410 CB LEU A 27 -6.557 -5.702 3.623 1.00 0.00 C ATOM 411 CG LEU A 27 -7.527 -5.166 2.570 1.00 0.00 C ATOM 412 CD1 LEU A 27 -7.252 -3.699 2.286 1.00 0.00 C ATOM 413 CD2 LEU A 27 -7.427 -5.984 1.292 1.00 0.00 C ATOM 0 H LEU A 27 -8.194 -5.520 5.401 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.428 -7.677 3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.351 -4.908 4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.613 -5.943 3.135 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.541 -5.255 2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.953 -3.336 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.373 -3.122 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.233 -3.585 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.124 -5.590 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.411 -5.925 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.674 -7.024 1.505 1.00 0.00 H new ATOM 425 N LEU A 28 -5.302 -6.760 6.058 1.00 0.00 N ATOM 426 CA LEU A 28 -4.174 -7.204 6.867 1.00 0.00 C ATOM 427 C LEU A 28 -4.566 -8.389 7.743 1.00 0.00 C ATOM 428 O LEU A 28 -3.712 -9.155 8.190 1.00 0.00 O ATOM 429 CB LEU A 28 -3.665 -6.047 7.734 1.00 0.00 C ATOM 430 CG LEU A 28 -2.629 -6.424 8.798 1.00 0.00 C ATOM 431 CD1 LEU A 28 -1.387 -7.021 8.157 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.264 -5.207 9.635 1.00 0.00 C ATOM 0 H LEU A 28 -5.610 -5.808 6.257 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.376 -7.527 6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.230 -5.291 7.081 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.519 -5.586 8.231 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.069 -7.178 9.451 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.666 -7.281 8.932 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.660 -7.918 7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.943 -6.294 7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.527 -5.490 10.387 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.846 -4.434 8.990 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.157 -4.824 10.129 1.00 0.00 H new ATOM 444 N GLU A 29 -5.864 -8.535 7.979 1.00 0.00 N ATOM 445 CA GLU A 29 -6.372 -9.623 8.801 1.00 0.00 C ATOM 446 C GLU A 29 -6.435 -10.920 7.999 1.00 0.00 C ATOM 447 O GLU A 29 -5.985 -11.971 8.457 1.00 0.00 O ATOM 448 CB GLU A 29 -7.760 -9.276 9.342 1.00 0.00 C ATOM 449 CG GLU A 29 -8.365 -10.362 10.217 1.00 0.00 C ATOM 450 CD GLU A 29 -9.761 -10.014 10.695 1.00 0.00 C ATOM 451 OE1 GLU A 29 -10.728 -10.282 9.950 1.00 0.00 O ATOM 452 OE2 GLU A 29 -9.888 -9.474 11.814 1.00 0.00 O ATOM 0 H GLU A 29 -6.584 -7.912 7.612 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.690 -9.765 9.639 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.695 -8.352 9.917 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.429 -9.083 8.503 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.399 -11.297 9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.720 -10.529 11.080 1.00 0.00 H new ATOM 459 N SER A 30 -6.998 -10.832 6.797 1.00 0.00 N ATOM 460 CA SER A 30 -7.133 -11.991 5.919 1.00 0.00 C ATOM 461 C SER A 30 -5.775 -12.504 5.446 1.00 0.00 C ATOM 462 O SER A 30 -5.679 -13.606 4.907 1.00 0.00 O ATOM 463 CB SER A 30 -8.003 -11.638 4.711 1.00 0.00 C ATOM 464 OG SER A 30 -9.326 -11.326 5.110 1.00 0.00 O ATOM 0 H SER A 30 -7.370 -9.966 6.407 1.00 0.00 H new ATOM 0 HA SER A 30 -7.610 -12.785 6.494 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.569 -10.789 4.182 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.018 -12.475 4.013 1.00 0.00 H new ATOM 0 HG SER A 30 -9.368 -10.391 5.402 1.00 0.00 H new ATOM 470 N LEU A 31 -4.728 -11.708 5.648 1.00 0.00 N ATOM 471 CA LEU A 31 -3.382 -12.098 5.229 1.00 0.00 C ATOM 472 C LEU A 31 -2.913 -13.351 5.963 1.00 0.00 C ATOM 473 O LEU A 31 -1.889 -13.937 5.613 1.00 0.00 O ATOM 474 CB LEU A 31 -2.391 -10.954 5.465 1.00 0.00 C ATOM 475 CG LEU A 31 -2.459 -9.811 4.448 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.531 -8.678 4.857 1.00 0.00 C ATOM 477 CD2 LEU A 31 -2.102 -10.313 3.057 1.00 0.00 C ATOM 0 H LEU A 31 -4.783 -10.794 6.097 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.421 -12.321 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.564 -10.544 6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.381 -11.363 5.460 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.480 -9.431 4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.592 -7.875 4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.828 -8.299 5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.506 -9.047 4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.156 -9.487 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.091 -10.719 3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.804 -11.093 2.760 1.00 0.00 H new ATOM 489 N SER A 32 -3.665 -13.757 6.982 1.00 0.00 N ATOM 490 CA SER A 32 -3.320 -14.942 7.759 1.00 0.00 C ATOM 491 C SER A 32 -3.960 -16.192 7.159 1.00 0.00 C ATOM 492 O SER A 32 -3.891 -17.274 7.742 1.00 0.00 O ATOM 493 CB SER A 32 -3.769 -14.773 9.211 1.00 0.00 C ATOM 494 OG SER A 32 -3.207 -13.605 9.787 1.00 0.00 O ATOM 0 H SER A 32 -4.515 -13.284 7.288 1.00 0.00 H new ATOM 0 HA SER A 32 -2.237 -15.061 7.732 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.857 -14.716 9.254 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.472 -15.647 9.791 1.00 0.00 H new ATOM 0 HG SER A 32 -3.511 -13.519 10.715 1.00 0.00 H new ATOM 500 N ASN A 33 -4.581 -16.036 5.993 1.00 0.00 N ATOM 501 CA ASN A 33 -5.235 -17.157 5.321 1.00 0.00 C ATOM 502 C ASN A 33 -4.235 -17.977 4.507 1.00 0.00 C ATOM 503 O ASN A 33 -3.324 -17.433 3.883 1.00 0.00 O ATOM 504 CB ASN A 33 -6.377 -16.663 4.423 1.00 0.00 C ATOM 505 CG ASN A 33 -5.901 -16.016 3.133 1.00 0.00 C ATOM 506 OD1 ASN A 33 -4.735 -15.385 3.168 1.00 0.00 O flip ATOM 507 ND2 ASN A 33 -6.582 -16.084 2.111 1.00 0.00 N flip ATOM 0 H ASN A 33 -4.646 -15.148 5.495 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.654 -17.804 6.092 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.026 -17.504 4.180 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.980 -15.945 4.979 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.474 -16.579 2.124 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.255 -15.646 1.250 1.00 0.00 H new ATOM 514 N GLU A 34 -4.410 -19.295 4.533 1.00 0.00 N ATOM 515 CA GLU A 34 -3.531 -20.209 3.809 1.00 0.00 C ATOM 516 C GLU A 34 -3.685 -20.067 2.296 1.00 0.00 C ATOM 517 O GLU A 34 -2.901 -20.631 1.532 1.00 0.00 O ATOM 518 CB GLU A 34 -3.821 -21.653 4.225 1.00 0.00 C ATOM 519 CG GLU A 34 -5.275 -22.056 4.045 1.00 0.00 C ATOM 520 CD GLU A 34 -5.540 -23.489 4.463 1.00 0.00 C ATOM 521 OE1 GLU A 34 -5.811 -23.719 5.660 1.00 0.00 O ATOM 522 OE2 GLU A 34 -5.476 -24.382 3.592 1.00 0.00 O ATOM 0 H GLU A 34 -5.158 -19.757 5.051 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.504 -19.950 4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.191 -22.324 3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.543 -21.784 5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.908 -21.388 4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.557 -21.929 3.000 1.00 0.00 H new ATOM 529 N ASP A 35 -4.693 -19.316 1.865 1.00 0.00 N ATOM 530 CA ASP A 35 -4.941 -19.120 0.438 1.00 0.00 C ATOM 531 C ASP A 35 -3.982 -18.088 -0.150 1.00 0.00 C ATOM 532 O ASP A 35 -3.577 -17.145 0.529 1.00 0.00 O ATOM 533 CB ASP A 35 -6.388 -18.684 0.204 1.00 0.00 C ATOM 534 CG ASP A 35 -6.828 -18.894 -1.231 1.00 0.00 C ATOM 535 OD1 ASP A 35 -6.593 -17.993 -2.063 1.00 0.00 O ATOM 536 OD2 ASP A 35 -7.408 -19.961 -1.524 1.00 0.00 O ATOM 0 H ASP A 35 -5.350 -18.834 2.479 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.770 -20.071 -0.066 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.046 -19.244 0.869 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.494 -17.631 0.464 1.00 0.00 H new ATOM 541 N TRP A 36 -3.623 -18.276 -1.417 1.00 0.00 N ATOM 542 CA TRP A 36 -2.708 -17.367 -2.101 1.00 0.00 C ATOM 543 C TRP A 36 -3.466 -16.360 -2.963 1.00 0.00 C ATOM 544 O TRP A 36 -3.077 -15.195 -3.059 1.00 0.00 O ATOM 545 CB TRP A 36 -1.725 -18.158 -2.969 1.00 0.00 C ATOM 546 CG TRP A 36 -2.395 -19.103 -3.921 1.00 0.00 C ATOM 547 CD1 TRP A 36 -2.784 -20.385 -3.663 1.00 0.00 C ATOM 548 CD2 TRP A 36 -2.753 -18.841 -5.283 1.00 0.00 C ATOM 549 NE1 TRP A 36 -3.363 -20.936 -4.781 1.00 0.00 N ATOM 550 CE2 TRP A 36 -3.355 -20.010 -5.787 1.00 0.00 C ATOM 551 CE3 TRP A 36 -2.624 -17.734 -6.127 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -3.826 -20.102 -7.094 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -3.093 -17.828 -7.424 1.00 0.00 C ATOM 554 CH2 TRP A 36 -3.688 -19.004 -7.895 1.00 0.00 C ATOM 0 H TRP A 36 -3.953 -19.051 -1.992 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.155 -16.816 -1.340 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.109 -17.459 -3.536 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.053 -18.722 -2.322 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.656 -20.893 -2.718 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.738 -21.882 -4.849 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.166 -16.822 -5.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -4.284 -21.009 -7.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.999 -16.979 -8.085 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.046 -19.044 -8.913 1.00 0.00 H new ATOM 565 N ARG A 37 -4.547 -16.816 -3.588 1.00 0.00 N ATOM 566 CA ARG A 37 -5.359 -15.962 -4.443 1.00 0.00 C ATOM 567 C ARG A 37 -5.915 -14.772 -3.665 1.00 0.00 C ATOM 568 O ARG A 37 -5.907 -13.642 -4.153 1.00 0.00 O ATOM 569 CB ARG A 37 -6.501 -16.777 -5.057 1.00 0.00 C ATOM 570 CG ARG A 37 -7.595 -15.931 -5.691 1.00 0.00 C ATOM 571 CD ARG A 37 -7.059 -15.065 -6.820 1.00 0.00 C ATOM 572 NE ARG A 37 -8.118 -14.299 -7.471 1.00 0.00 N ATOM 573 CZ ARG A 37 -7.939 -13.091 -8.000 1.00 0.00 C ATOM 574 NH1 ARG A 37 -6.748 -12.510 -7.948 1.00 0.00 N ATOM 575 NH2 ARG A 37 -8.953 -12.463 -8.579 1.00 0.00 N ATOM 0 H ARG A 37 -4.881 -17.777 -3.517 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.726 -15.573 -5.241 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.090 -17.447 -5.813 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.944 -17.404 -4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.381 -16.582 -6.074 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.050 -15.296 -4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.306 -14.382 -6.427 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.563 -15.696 -7.557 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.048 -14.714 -7.523 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.966 -12.989 -7.502 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.614 -11.584 -8.354 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.871 -12.906 -8.619 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.815 -11.537 -8.984 1.00 0.00 H new ATOM 589 N ILE A 38 -6.396 -15.032 -2.453 1.00 0.00 N ATOM 590 CA ILE A 38 -6.958 -13.981 -1.615 1.00 0.00 C ATOM 591 C ILE A 38 -5.859 -13.151 -0.959 1.00 0.00 C ATOM 592 O ILE A 38 -5.887 -11.921 -1.008 1.00 0.00 O ATOM 593 CB ILE A 38 -7.876 -14.562 -0.521 1.00 0.00 C ATOM 594 CG1 ILE A 38 -8.901 -15.514 -1.143 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.574 -13.438 0.233 1.00 0.00 C ATOM 596 CD1 ILE A 38 -9.745 -16.252 -0.124 1.00 0.00 C ATOM 0 H ILE A 38 -6.407 -15.960 -2.031 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.549 -13.340 -2.268 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.268 -15.125 0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.558 -14.946 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.378 -16.242 -1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.219 -13.862 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.828 -12.794 0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.175 -12.852 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.447 -16.907 -0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.099 -16.848 0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.297 -15.533 0.481 1.00 0.00 H new ATOM 608 N ARG A 39 -4.893 -13.829 -0.344 1.00 0.00 N ATOM 609 CA ARG A 39 -3.782 -13.149 0.319 1.00 0.00 C ATOM 610 C ARG A 39 -3.074 -12.201 -0.643 1.00 0.00 C ATOM 611 O ARG A 39 -2.539 -11.170 -0.234 1.00 0.00 O ATOM 612 CB ARG A 39 -2.783 -14.168 0.868 1.00 0.00 C ATOM 613 CG ARG A 39 -1.747 -13.564 1.802 1.00 0.00 C ATOM 614 CD ARG A 39 -0.930 -14.639 2.500 1.00 0.00 C ATOM 615 NE ARG A 39 -0.362 -15.597 1.557 1.00 0.00 N ATOM 616 CZ ARG A 39 0.427 -16.606 1.914 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.739 -16.789 3.191 1.00 0.00 N ATOM 618 NH2 ARG A 39 0.902 -17.435 0.994 1.00 0.00 N ATOM 0 H ARG A 39 -4.857 -14.847 -0.291 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.190 -12.568 1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.328 -14.948 1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.272 -14.648 0.034 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.083 -12.911 1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.245 -12.944 2.547 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.126 -14.171 3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.561 -15.166 3.215 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.583 -15.486 0.567 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.373 -16.155 3.901 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.344 -17.564 3.462 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.662 -17.299 0.012 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.507 -18.209 1.268 1.00 0.00 H new ATOM 632 N GLY A 40 -3.076 -12.557 -1.924 1.00 0.00 N ATOM 633 CA GLY A 40 -2.430 -11.730 -2.928 1.00 0.00 C ATOM 634 C GLY A 40 -3.156 -10.419 -3.155 1.00 0.00 C ATOM 635 O GLY A 40 -2.581 -9.348 -2.973 1.00 0.00 O ATOM 0 H GLY A 40 -3.514 -13.404 -2.285 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.405 -11.525 -2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.377 -12.280 -3.868 1.00 0.00 H new ATOM 639 N ALA A 41 -4.425 -10.509 -3.548 1.00 0.00 N ATOM 640 CA ALA A 41 -5.241 -9.326 -3.804 1.00 0.00 C ATOM 641 C ALA A 41 -5.138 -8.323 -2.660 1.00 0.00 C ATOM 642 O ALA A 41 -5.300 -7.120 -2.861 1.00 0.00 O ATOM 643 CB ALA A 41 -6.691 -9.725 -4.027 1.00 0.00 C ATOM 0 H ALA A 41 -4.911 -11.393 -3.696 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.862 -8.845 -4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.289 -8.833 -4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.756 -10.395 -4.884 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.069 -10.233 -3.140 1.00 0.00 H new ATOM 649 N ALA A 42 -4.868 -8.827 -1.460 1.00 0.00 N ATOM 650 CA ALA A 42 -4.739 -7.975 -0.284 1.00 0.00 C ATOM 651 C ALA A 42 -3.594 -6.984 -0.454 1.00 0.00 C ATOM 652 O ALA A 42 -3.773 -5.780 -0.278 1.00 0.00 O ATOM 653 CB ALA A 42 -4.528 -8.820 0.962 1.00 0.00 C ATOM 0 H ALA A 42 -4.734 -9.821 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.664 -7.410 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.434 -8.169 1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.380 -9.486 1.098 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.619 -9.411 0.851 1.00 0.00 H new ATOM 659 N ALA A 43 -2.419 -7.502 -0.802 1.00 0.00 N ATOM 660 CA ALA A 43 -1.240 -6.667 -1.001 1.00 0.00 C ATOM 661 C ALA A 43 -1.341 -5.872 -2.297 1.00 0.00 C ATOM 662 O ALA A 43 -0.816 -4.762 -2.400 1.00 0.00 O ATOM 663 CB ALA A 43 0.012 -7.524 -1.012 1.00 0.00 C ATOM 0 H ALA A 43 -2.259 -8.498 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.183 -5.960 -0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.886 -6.890 -1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.102 -8.048 -0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.052 -8.251 -1.822 1.00 0.00 H new ATOM 669 N TRP A 44 -2.020 -6.450 -3.285 1.00 0.00 N ATOM 670 CA TRP A 44 -2.190 -5.807 -4.584 1.00 0.00 C ATOM 671 C TRP A 44 -2.824 -4.425 -4.444 1.00 0.00 C ATOM 672 O TRP A 44 -2.468 -3.495 -5.168 1.00 0.00 O ATOM 673 CB TRP A 44 -3.043 -6.685 -5.503 1.00 0.00 C ATOM 674 CG TRP A 44 -2.231 -7.639 -6.322 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.572 -8.744 -5.872 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.991 -7.575 -7.734 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.925 -9.365 -6.913 1.00 0.00 N ATOM 678 CE2 TRP A 44 -1.171 -8.670 -8.067 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.388 -6.699 -8.748 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.741 -8.911 -9.369 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.961 -6.940 -10.042 1.00 0.00 C ATOM 682 CH2 TRP A 44 -1.144 -8.039 -10.341 1.00 0.00 C ATOM 0 H TRP A 44 -2.463 -7.366 -3.209 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.201 -5.681 -5.025 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.755 -7.248 -4.900 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.624 -6.047 -6.169 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.560 -9.082 -4.846 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.354 -10.207 -6.838 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.017 -5.849 -8.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.111 -9.757 -9.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.262 -6.271 -10.834 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.826 -8.200 -11.361 1.00 0.00 H new ATOM 693 N ILE A 45 -3.767 -4.298 -3.514 1.00 0.00 N ATOM 694 CA ILE A 45 -4.456 -3.031 -3.286 1.00 0.00 C ATOM 695 C ILE A 45 -3.864 -2.298 -2.089 1.00 0.00 C ATOM 696 O ILE A 45 -3.983 -1.077 -1.968 1.00 0.00 O ATOM 697 CB ILE A 45 -5.963 -3.253 -3.043 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.561 -4.116 -4.156 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.689 -1.919 -2.947 1.00 0.00 C ATOM 700 CD1 ILE A 45 -8.004 -4.503 -3.916 1.00 0.00 C ATOM 0 H ILE A 45 -4.072 -5.058 -2.906 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.323 -2.426 -4.183 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.089 -3.779 -2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.491 -3.576 -5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.964 -5.022 -4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.751 -2.094 -2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.279 -1.340 -2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.558 -1.366 -3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.360 -5.114 -4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.079 -5.071 -2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.614 -3.603 -3.840 1.00 0.00 H new ATOM 712 N ILE A 46 -3.223 -3.058 -1.210 1.00 0.00 N ATOM 713 CA ILE A 46 -2.624 -2.510 -0.002 1.00 0.00 C ATOM 714 C ILE A 46 -1.713 -1.315 -0.295 1.00 0.00 C ATOM 715 O ILE A 46 -1.715 -0.331 0.444 1.00 0.00 O ATOM 716 CB ILE A 46 -1.842 -3.606 0.768 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.185 -3.547 2.253 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.336 -3.482 0.562 1.00 0.00 C ATOM 719 CD1 ILE A 46 -3.102 -4.662 2.707 1.00 0.00 C ATOM 0 H ILE A 46 -3.105 -4.066 -1.314 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.442 -2.150 0.622 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.144 -4.574 0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.263 -3.588 2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.656 -2.589 2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.173 -4.269 1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.105 -3.580 -0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.001 -2.509 0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.303 -4.556 3.773 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.040 -4.610 2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.625 -5.624 2.521 1.00 0.00 H new ATOM 731 N GLY A 47 -0.951 -1.393 -1.382 1.00 0.00 N ATOM 732 CA GLY A 47 -0.038 -0.317 -1.725 1.00 0.00 C ATOM 733 C GLY A 47 -0.721 0.893 -2.340 1.00 0.00 C ATOM 734 O GLY A 47 -0.212 2.010 -2.246 1.00 0.00 O ATOM 0 H GLY A 47 -0.949 -2.180 -2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.495 -0.005 -0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.709 -0.695 -2.423 1.00 0.00 H new ATOM 738 N ASN A 48 -1.873 0.679 -2.966 1.00 0.00 N ATOM 739 CA ASN A 48 -2.603 1.766 -3.617 1.00 0.00 C ATOM 740 C ASN A 48 -3.228 2.740 -2.619 1.00 0.00 C ATOM 741 O ASN A 48 -3.840 3.729 -3.027 1.00 0.00 O ATOM 742 CB ASN A 48 -3.694 1.203 -4.529 1.00 0.00 C ATOM 743 CG ASN A 48 -3.127 0.475 -5.731 1.00 0.00 C ATOM 744 OD1 ASN A 48 -2.928 -0.830 -5.593 1.00 0.00 O flip ATOM 745 ND2 ASN A 48 -2.876 1.079 -6.774 1.00 0.00 N flip ATOM 0 H ASN A 48 -2.322 -0.234 -3.038 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.873 2.322 -4.205 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.323 0.520 -3.958 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.334 2.017 -4.870 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.045 2.083 -6.835 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.499 0.575 -7.577 1.00 0.00 H new ATOM 752 N PHE A 49 -3.084 2.482 -1.321 1.00 0.00 N ATOM 753 CA PHE A 49 -3.670 3.371 -0.320 1.00 0.00 C ATOM 754 C PHE A 49 -2.610 4.105 0.488 1.00 0.00 C ATOM 755 O PHE A 49 -2.923 5.054 1.208 1.00 0.00 O ATOM 756 CB PHE A 49 -4.601 2.593 0.614 1.00 0.00 C ATOM 757 CG PHE A 49 -5.811 2.000 -0.063 1.00 0.00 C ATOM 758 CD1 PHE A 49 -6.347 2.574 -1.209 1.00 0.00 C ATOM 759 CD2 PHE A 49 -6.418 0.865 0.454 1.00 0.00 C ATOM 760 CE1 PHE A 49 -7.458 2.027 -1.822 1.00 0.00 C ATOM 761 CE2 PHE A 49 -7.529 0.315 -0.155 1.00 0.00 C ATOM 762 CZ PHE A 49 -8.050 0.897 -1.295 1.00 0.00 C ATOM 0 H PHE A 49 -2.577 1.682 -0.943 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.249 4.121 -0.859 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -4.034 1.790 1.086 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.935 3.258 1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.890 3.459 -1.626 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.016 0.405 1.345 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.863 2.483 -2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.990 -0.569 0.259 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.919 0.468 -1.773 1.00 0.00 H new ATOM 772 N GLN A 50 -1.364 3.671 0.371 1.00 0.00 N ATOM 773 CA GLN A 50 -0.270 4.312 1.090 1.00 0.00 C ATOM 774 C GLN A 50 -0.569 4.402 2.585 1.00 0.00 C ATOM 775 O GLN A 50 -0.789 5.490 3.120 1.00 0.00 O ATOM 776 CB GLN A 50 -0.026 5.713 0.524 1.00 0.00 C ATOM 777 CG GLN A 50 1.427 5.976 0.188 1.00 0.00 C ATOM 778 CD GLN A 50 2.291 6.156 1.420 1.00 0.00 C ATOM 779 OE1 GLN A 50 1.989 5.626 2.489 1.00 0.00 O ATOM 780 NE2 GLN A 50 3.375 6.908 1.276 1.00 0.00 N ATOM 0 H GLN A 50 -1.085 2.882 -0.212 1.00 0.00 H new ATOM 0 HA GLN A 50 0.625 3.704 0.958 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.630 5.845 -0.374 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.365 6.454 1.248 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.814 5.147 -0.404 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.496 6.870 -0.432 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.588 7.328 0.371 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.996 7.065 2.070 1.00 0.00 H new ATOM 789 N ASP A 51 -0.584 3.256 3.257 1.00 0.00 N ATOM 790 CA ASP A 51 -0.857 3.221 4.687 1.00 0.00 C ATOM 791 C ASP A 51 0.231 2.457 5.433 1.00 0.00 C ATOM 792 O ASP A 51 1.018 1.727 4.829 1.00 0.00 O ATOM 793 CB ASP A 51 -2.217 2.576 4.952 1.00 0.00 C ATOM 794 CG ASP A 51 -2.831 3.035 6.259 1.00 0.00 C ATOM 795 OD1 ASP A 51 -2.476 2.468 7.314 1.00 0.00 O ATOM 796 OD2 ASP A 51 -3.666 3.964 6.229 1.00 0.00 O ATOM 0 H ASP A 51 -0.411 2.343 2.836 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.870 4.248 5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.895 2.814 4.132 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.105 1.492 4.968 1.00 0.00 H new ATOM 801 N GLU A 52 0.269 2.631 6.751 1.00 0.00 N ATOM 802 CA GLU A 52 1.252 1.954 7.589 1.00 0.00 C ATOM 803 C GLU A 52 1.060 0.440 7.534 1.00 0.00 C ATOM 804 O GLU A 52 2.027 -0.315 7.427 1.00 0.00 O ATOM 805 CB GLU A 52 1.137 2.453 9.033 1.00 0.00 C ATOM 806 CG GLU A 52 1.730 1.501 10.057 1.00 0.00 C ATOM 807 CD GLU A 52 1.480 1.949 11.485 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.168 2.885 11.943 1.00 0.00 O ATOM 809 OE2 GLU A 52 0.595 1.363 12.144 1.00 0.00 O ATOM 0 H GLU A 52 -0.372 3.237 7.262 1.00 0.00 H new ATOM 0 HA GLU A 52 2.248 2.183 7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.637 3.418 9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.086 2.617 9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.305 0.508 9.912 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.804 1.416 9.890 1.00 0.00 H new ATOM 816 N ARG A 53 -0.193 0.006 7.612 1.00 0.00 N ATOM 817 CA ARG A 53 -0.521 -1.418 7.572 1.00 0.00 C ATOM 818 C ARG A 53 -0.227 -2.016 6.199 1.00 0.00 C ATOM 819 O ARG A 53 -0.346 -3.224 6.008 1.00 0.00 O ATOM 820 CB ARG A 53 -1.987 -1.675 7.958 1.00 0.00 C ATOM 821 CG ARG A 53 -2.852 -0.428 8.027 1.00 0.00 C ATOM 822 CD ARG A 53 -4.203 -0.723 8.657 1.00 0.00 C ATOM 823 NE ARG A 53 -5.010 0.483 8.812 1.00 0.00 N ATOM 824 CZ ARG A 53 -5.732 0.754 9.896 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.744 -0.093 10.916 1.00 0.00 N ATOM 826 NH2 ARG A 53 -6.442 1.872 9.960 1.00 0.00 N ATOM 0 H ARG A 53 -1.002 0.620 7.704 1.00 0.00 H new ATOM 0 HA ARG A 53 0.115 -1.910 8.308 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.424 -2.364 7.235 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.012 -2.172 8.928 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.339 0.340 8.606 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.997 -0.028 7.023 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.741 -1.442 8.040 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.055 -1.187 9.632 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.021 1.156 8.046 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.199 -0.954 10.870 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.298 0.116 11.746 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.435 2.526 9.177 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.995 2.078 10.792 1.00 0.00 H new ATOM 840 N ALA A 54 0.136 -1.165 5.241 1.00 0.00 N ATOM 841 CA ALA A 54 0.420 -1.616 3.883 1.00 0.00 C ATOM 842 C ALA A 54 1.904 -1.883 3.696 1.00 0.00 C ATOM 843 O ALA A 54 2.351 -2.249 2.609 1.00 0.00 O ATOM 844 CB ALA A 54 -0.042 -0.574 2.878 1.00 0.00 C ATOM 0 H ALA A 54 0.240 -0.160 5.382 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.123 -2.546 3.717 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.175 -0.921 1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.115 -0.416 2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.482 0.364 3.060 1.00 0.00 H new ATOM 850 N VAL A 55 2.660 -1.698 4.767 1.00 0.00 N ATOM 851 CA VAL A 55 4.099 -1.889 4.728 1.00 0.00 C ATOM 852 C VAL A 55 4.504 -3.317 5.100 1.00 0.00 C ATOM 853 O VAL A 55 5.287 -3.948 4.390 1.00 0.00 O ATOM 854 CB VAL A 55 4.795 -0.898 5.676 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.294 -0.936 5.474 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.260 0.511 5.462 1.00 0.00 C ATOM 0 H VAL A 55 2.298 -1.414 5.677 1.00 0.00 H new ATOM 0 HA VAL A 55 4.416 -1.707 3.701 1.00 0.00 H new ATOM 0 HB VAL A 55 4.580 -1.193 6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.771 -0.229 6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.663 -1.941 5.679 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.529 -0.666 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.764 1.199 6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.444 0.818 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.188 0.527 5.659 1.00 0.00 H new ATOM 866 N GLU A 56 3.970 -3.820 6.208 1.00 0.00 N ATOM 867 CA GLU A 56 4.300 -5.169 6.672 1.00 0.00 C ATOM 868 C GLU A 56 3.926 -6.248 5.650 1.00 0.00 C ATOM 869 O GLU A 56 4.743 -7.122 5.357 1.00 0.00 O ATOM 870 CB GLU A 56 3.621 -5.465 8.010 1.00 0.00 C ATOM 871 CG GLU A 56 3.935 -6.851 8.549 1.00 0.00 C ATOM 872 CD GLU A 56 3.389 -7.075 9.946 1.00 0.00 C ATOM 873 OE1 GLU A 56 2.175 -7.336 10.074 1.00 0.00 O ATOM 874 OE2 GLU A 56 4.177 -6.988 10.911 1.00 0.00 O ATOM 0 H GLU A 56 3.309 -3.319 6.802 1.00 0.00 H new ATOM 0 HA GLU A 56 5.382 -5.197 6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.933 -4.719 8.741 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.542 -5.364 7.892 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.518 -7.601 7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.015 -6.996 8.558 1.00 0.00 H new ATOM 881 N PRO A 57 2.689 -6.226 5.102 1.00 0.00 N ATOM 882 CA PRO A 57 2.248 -7.220 4.120 1.00 0.00 C ATOM 883 C PRO A 57 3.306 -7.525 3.072 1.00 0.00 C ATOM 884 O PRO A 57 3.531 -8.682 2.722 1.00 0.00 O ATOM 885 CB PRO A 57 1.045 -6.553 3.469 1.00 0.00 C ATOM 886 CG PRO A 57 0.469 -5.692 4.538 1.00 0.00 C ATOM 887 CD PRO A 57 1.627 -5.241 5.392 1.00 0.00 C ATOM 0 HA PRO A 57 2.032 -8.180 4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.340 -5.963 2.601 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.322 -7.291 3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.053 -4.837 4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.259 -6.245 5.132 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.941 -4.229 5.137 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.365 -5.236 6.450 1.00 0.00 H new ATOM 895 N LEU A 58 3.959 -6.482 2.582 1.00 0.00 N ATOM 896 CA LEU A 58 4.987 -6.631 1.561 1.00 0.00 C ATOM 897 C LEU A 58 6.199 -7.381 2.102 1.00 0.00 C ATOM 898 O LEU A 58 6.819 -8.169 1.393 1.00 0.00 O ATOM 899 CB LEU A 58 5.420 -5.257 1.046 1.00 0.00 C ATOM 900 CG LEU A 58 4.309 -4.206 0.978 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.834 -2.911 0.377 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.125 -4.728 0.179 1.00 0.00 C ATOM 0 H LEU A 58 3.795 -5.519 2.876 1.00 0.00 H new ATOM 0 HA LEU A 58 4.563 -7.211 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.216 -4.880 1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.845 -5.378 0.050 1.00 0.00 H new ATOM 0 HG LEU A 58 3.970 -3.999 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.030 -2.176 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.646 -2.527 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.203 -3.101 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.346 -3.966 0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.447 -4.967 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.732 -5.626 0.656 1.00 0.00 H new ATOM 914 N ILE A 59 6.529 -7.132 3.362 1.00 0.00 N ATOM 915 CA ILE A 59 7.677 -7.771 3.992 1.00 0.00 C ATOM 916 C ILE A 59 7.559 -9.295 3.999 1.00 0.00 C ATOM 917 O ILE A 59 8.408 -9.993 3.445 1.00 0.00 O ATOM 918 CB ILE A 59 7.863 -7.281 5.443 1.00 0.00 C ATOM 919 CG1 ILE A 59 7.805 -5.750 5.502 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.180 -7.791 6.010 1.00 0.00 C ATOM 921 CD1 ILE A 59 8.845 -5.060 4.642 1.00 0.00 C ATOM 0 H ILE A 59 6.017 -6.491 3.969 1.00 0.00 H new ATOM 0 HA ILE A 59 8.544 -7.490 3.395 1.00 0.00 H new ATOM 0 HB ILE A 59 7.051 -7.678 6.051 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.814 -5.422 5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.934 -5.431 6.536 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.297 -7.437 7.034 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.182 -8.881 6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.006 -7.421 5.402 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.738 -3.980 4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 59 9.842 -5.357 4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.704 -5.347 3.600 1.00 0.00 H new ATOM 933 N LYS A 60 6.500 -9.803 4.620 1.00 0.00 N ATOM 934 CA LYS A 60 6.290 -11.248 4.728 1.00 0.00 C ATOM 935 C LYS A 60 5.939 -11.889 3.385 1.00 0.00 C ATOM 936 O LYS A 60 6.107 -13.095 3.205 1.00 0.00 O ATOM 937 CB LYS A 60 5.193 -11.539 5.755 1.00 0.00 C ATOM 938 CG LYS A 60 4.975 -13.023 6.016 1.00 0.00 C ATOM 939 CD LYS A 60 3.795 -13.566 5.224 1.00 0.00 C ATOM 940 CE LYS A 60 2.472 -13.047 5.766 1.00 0.00 C ATOM 941 NZ LYS A 60 1.309 -13.596 5.015 1.00 0.00 N ATOM 0 H LYS A 60 5.772 -9.238 5.057 1.00 0.00 H new ATOM 0 HA LYS A 60 7.230 -11.690 5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.448 -11.048 6.694 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.258 -11.099 5.409 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.876 -13.575 5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.804 -13.184 7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.897 -13.281 4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.802 -14.655 5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.382 -13.313 6.819 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.459 -11.959 5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.890 -12.847 4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.626 -14.377 4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.597 -13.948 5.686 1.00 0.00 H new ATOM 955 N LEU A 61 5.460 -11.084 2.445 1.00 0.00 N ATOM 956 CA LEU A 61 5.058 -11.594 1.134 1.00 0.00 C ATOM 957 C LEU A 61 6.229 -11.739 0.172 1.00 0.00 C ATOM 958 O LEU A 61 6.363 -12.760 -0.503 1.00 0.00 O ATOM 959 CB LEU A 61 4.002 -10.679 0.528 1.00 0.00 C ATOM 960 CG LEU A 61 2.560 -11.124 0.751 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.321 -11.503 2.208 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.595 -10.036 0.323 1.00 0.00 C ATOM 0 H LEU A 61 5.339 -10.078 2.562 1.00 0.00 H new ATOM 0 HA LEU A 61 4.648 -12.592 1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.127 -9.679 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.181 -10.602 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 61 2.383 -12.008 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.285 -11.816 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.985 -12.322 2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.522 -10.642 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.571 -10.371 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.781 -9.135 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.738 -9.819 -0.735 1.00 0.00 H new ATOM 974 N LEU A 62 7.072 -10.719 0.105 1.00 0.00 N ATOM 975 CA LEU A 62 8.221 -10.738 -0.790 1.00 0.00 C ATOM 976 C LEU A 62 9.157 -11.882 -0.431 1.00 0.00 C ATOM 977 O LEU A 62 10.082 -12.203 -1.175 1.00 0.00 O ATOM 978 CB LEU A 62 8.948 -9.398 -0.732 1.00 0.00 C ATOM 979 CG LEU A 62 8.121 -8.216 -1.235 1.00 0.00 C ATOM 980 CD1 LEU A 62 8.745 -6.900 -0.800 1.00 0.00 C ATOM 981 CD2 LEU A 62 7.990 -8.270 -2.749 1.00 0.00 C ATOM 0 H LEU A 62 6.982 -9.868 0.659 1.00 0.00 H new ATOM 0 HA LEU A 62 7.873 -10.898 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.249 -9.205 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.861 -9.466 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 62 7.125 -8.281 -0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.140 -6.071 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.790 -6.861 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.753 -6.823 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.398 -7.422 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.981 -8.229 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.497 -9.198 -3.039 1.00 0.00 H new ATOM 993 N GLU A 63 8.904 -12.491 0.719 1.00 0.00 N ATOM 994 CA GLU A 63 9.699 -13.612 1.187 1.00 0.00 C ATOM 995 C GLU A 63 8.870 -14.893 1.168 1.00 0.00 C ATOM 996 O GLU A 63 9.410 -15.998 1.227 1.00 0.00 O ATOM 997 CB GLU A 63 10.211 -13.343 2.604 1.00 0.00 C ATOM 998 CG GLU A 63 11.483 -12.511 2.653 1.00 0.00 C ATOM 999 CD GLU A 63 11.265 -11.079 2.207 1.00 0.00 C ATOM 1000 OE1 GLU A 63 11.367 -10.814 0.991 1.00 0.00 O ATOM 1001 OE2 GLU A 63 10.995 -10.221 3.073 1.00 0.00 O ATOM 0 H GLU A 63 8.147 -12.223 1.348 1.00 0.00 H new ATOM 0 HA GLU A 63 10.552 -13.734 0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.432 -12.832 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.393 -14.296 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.875 -12.514 3.670 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.239 -12.973 2.018 1.00 0.00 H new ATOM 1008 N ASP A 64 7.550 -14.731 1.091 1.00 0.00 N ATOM 1009 CA ASP A 64 6.634 -15.867 1.071 1.00 0.00 C ATOM 1010 C ASP A 64 6.878 -16.740 -0.149 1.00 0.00 C ATOM 1011 O ASP A 64 6.815 -17.969 -0.080 1.00 0.00 O ATOM 1012 CB ASP A 64 5.184 -15.386 1.095 1.00 0.00 C ATOM 1013 CG ASP A 64 4.230 -16.452 1.593 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.241 -17.570 1.035 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.474 -16.172 2.547 1.00 0.00 O ATOM 0 H ASP A 64 7.092 -13.821 1.041 1.00 0.00 H new ATOM 0 HA ASP A 64 6.820 -16.465 1.963 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.107 -14.506 1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.889 -15.079 0.092 1.00 0.00 H new ATOM 1020 N ASP A 65 7.155 -16.083 -1.258 1.00 0.00 N ATOM 1021 CA ASP A 65 7.416 -16.759 -2.525 1.00 0.00 C ATOM 1022 C ASP A 65 6.245 -17.646 -2.944 1.00 0.00 C ATOM 1023 O ASP A 65 6.433 -18.632 -3.657 1.00 0.00 O ATOM 1024 CB ASP A 65 8.696 -17.593 -2.430 1.00 0.00 C ATOM 1025 CG ASP A 65 9.945 -16.734 -2.366 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.310 -16.298 -1.254 1.00 0.00 O ATOM 1027 OD2 ASP A 65 10.559 -16.500 -3.427 1.00 0.00 O ATOM 0 H ASP A 65 7.207 -15.066 -1.312 1.00 0.00 H new ATOM 0 HA ASP A 65 7.543 -15.990 -3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.648 -18.226 -1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.759 -18.256 -3.293 1.00 0.00 H new ATOM 1032 N SER A 66 5.035 -17.294 -2.509 1.00 0.00 N ATOM 1033 CA SER A 66 3.852 -18.073 -2.864 1.00 0.00 C ATOM 1034 C SER A 66 3.460 -17.810 -4.315 1.00 0.00 C ATOM 1035 O SER A 66 2.834 -18.647 -4.964 1.00 0.00 O ATOM 1036 CB SER A 66 2.679 -17.735 -1.940 1.00 0.00 C ATOM 1037 OG SER A 66 1.852 -18.866 -1.727 1.00 0.00 O ATOM 0 H SER A 66 4.850 -16.484 -1.917 1.00 0.00 H new ATOM 0 HA SER A 66 4.095 -19.129 -2.745 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.058 -17.373 -0.984 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.090 -16.928 -2.376 1.00 0.00 H new ATOM 0 HG SER A 66 1.829 -19.079 -0.771 1.00 0.00 H new ATOM 1043 N GLY A 67 3.838 -16.634 -4.813 1.00 0.00 N ATOM 1044 CA GLY A 67 3.528 -16.265 -6.184 1.00 0.00 C ATOM 1045 C GLY A 67 2.696 -15.002 -6.268 1.00 0.00 C ATOM 1046 O GLY A 67 3.229 -13.920 -6.503 1.00 0.00 O ATOM 0 H GLY A 67 4.355 -15.928 -4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.456 -16.123 -6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.992 -17.083 -6.665 1.00 0.00 H new ATOM 1050 N PHE A 68 1.386 -15.136 -6.090 1.00 0.00 N ATOM 1051 CA PHE A 68 0.491 -13.984 -6.132 1.00 0.00 C ATOM 1052 C PHE A 68 0.795 -13.058 -4.963 1.00 0.00 C ATOM 1053 O PHE A 68 0.674 -11.837 -5.066 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.967 -14.441 -6.055 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.921 -13.614 -6.874 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -2.086 -12.253 -6.640 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -2.669 -14.210 -7.877 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.978 -11.513 -7.393 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -3.558 -13.473 -8.632 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.714 -12.124 -8.390 1.00 0.00 C ATOM 0 H PHE A 68 0.921 -16.027 -5.916 1.00 0.00 H new ATOM 0 HA PHE A 68 0.646 -13.452 -7.071 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.028 -15.478 -6.385 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.288 -14.419 -5.013 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.512 -11.770 -5.863 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.554 -15.266 -8.070 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.100 -10.457 -7.202 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.131 -13.952 -9.412 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.411 -11.546 -8.979 1.00 0.00 H new ATOM 1070 N VAL A 69 1.198 -13.663 -3.851 1.00 0.00 N ATOM 1071 CA VAL A 69 1.525 -12.930 -2.640 1.00 0.00 C ATOM 1072 C VAL A 69 2.839 -12.165 -2.787 1.00 0.00 C ATOM 1073 O VAL A 69 2.947 -11.013 -2.367 1.00 0.00 O ATOM 1074 CB VAL A 69 1.620 -13.890 -1.435 1.00 0.00 C ATOM 1075 CG1 VAL A 69 0.452 -14.862 -1.433 1.00 0.00 C ATOM 1076 CG2 VAL A 69 2.943 -14.636 -1.434 1.00 0.00 C ATOM 0 H VAL A 69 1.306 -14.674 -3.767 1.00 0.00 H new ATOM 0 HA VAL A 69 0.724 -12.211 -2.469 1.00 0.00 H new ATOM 0 HB VAL A 69 1.572 -13.294 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.536 -15.531 -0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.484 -14.306 -1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.464 -15.447 -2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.983 -15.305 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.033 -15.218 -2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.764 -13.921 -1.376 1.00 0.00 H new ATOM 1086 N ARG A 70 3.830 -12.812 -3.393 1.00 0.00 N ATOM 1087 CA ARG A 70 5.140 -12.202 -3.581 1.00 0.00 C ATOM 1088 C ARG A 70 5.108 -11.168 -4.703 1.00 0.00 C ATOM 1089 O ARG A 70 5.605 -10.053 -4.546 1.00 0.00 O ATOM 1090 CB ARG A 70 6.184 -13.278 -3.879 1.00 0.00 C ATOM 1091 CG ARG A 70 7.612 -12.823 -3.631 1.00 0.00 C ATOM 1092 CD ARG A 70 8.618 -13.755 -4.287 1.00 0.00 C ATOM 1093 NE ARG A 70 8.290 -14.019 -5.686 1.00 0.00 N ATOM 1094 CZ ARG A 70 9.015 -14.800 -6.480 1.00 0.00 C ATOM 1095 NH1 ARG A 70 10.112 -15.386 -6.019 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.643 -14.995 -7.737 1.00 0.00 N ATOM 0 H ARG A 70 3.750 -13.759 -3.762 1.00 0.00 H new ATOM 0 HA ARG A 70 5.413 -11.690 -2.658 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.978 -14.153 -3.263 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.086 -13.590 -4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.745 -11.813 -4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.800 -12.781 -2.558 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.613 -13.315 -4.225 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.651 -14.696 -3.739 1.00 0.00 H new ATOM 0 HE ARG A 70 7.457 -13.579 -6.076 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.402 -15.238 -5.052 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.666 -15.985 -6.631 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.800 -14.546 -8.095 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.200 -15.594 -8.346 1.00 0.00 H new ATOM 1110 N SER A 71 4.522 -11.547 -5.834 1.00 0.00 N ATOM 1111 CA SER A 71 4.416 -10.652 -6.982 1.00 0.00 C ATOM 1112 C SER A 71 3.657 -9.389 -6.604 1.00 0.00 C ATOM 1113 O SER A 71 4.111 -8.277 -6.869 1.00 0.00 O ATOM 1114 CB SER A 71 3.712 -11.351 -8.144 1.00 0.00 C ATOM 1115 OG SER A 71 3.613 -10.494 -9.269 1.00 0.00 O ATOM 0 H SER A 71 4.112 -12.470 -5.981 1.00 0.00 H new ATOM 0 HA SER A 71 5.424 -10.379 -7.294 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.261 -12.253 -8.417 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.716 -11.666 -7.834 1.00 0.00 H new ATOM 0 HG SER A 71 3.160 -10.964 -10.000 1.00 0.00 H new ATOM 1121 N GLY A 72 2.492 -9.573 -5.988 1.00 0.00 N ATOM 1122 CA GLY A 72 1.689 -8.442 -5.572 1.00 0.00 C ATOM 1123 C GLY A 72 2.467 -7.491 -4.692 1.00 0.00 C ATOM 1124 O GLY A 72 2.499 -6.286 -4.941 1.00 0.00 O ATOM 0 H GLY A 72 2.092 -10.486 -5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.329 -7.909 -6.452 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.811 -8.799 -5.034 1.00 0.00 H new ATOM 1128 N ALA A 73 3.095 -8.040 -3.660 1.00 0.00 N ATOM 1129 CA ALA A 73 3.890 -7.244 -2.742 1.00 0.00 C ATOM 1130 C ALA A 73 4.976 -6.475 -3.486 1.00 0.00 C ATOM 1131 O ALA A 73 5.326 -5.361 -3.107 1.00 0.00 O ATOM 1132 CB ALA A 73 4.511 -8.134 -1.678 1.00 0.00 C ATOM 0 H ALA A 73 3.067 -9.036 -3.440 1.00 0.00 H new ATOM 0 HA ALA A 73 3.232 -6.521 -2.260 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.105 -7.526 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.722 -8.639 -1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.152 -8.876 -2.153 1.00 0.00 H new ATOM 1138 N ALA A 74 5.497 -7.076 -4.555 1.00 0.00 N ATOM 1139 CA ALA A 74 6.549 -6.450 -5.346 1.00 0.00 C ATOM 1140 C ALA A 74 6.077 -5.140 -5.969 1.00 0.00 C ATOM 1141 O ALA A 74 6.703 -4.096 -5.792 1.00 0.00 O ATOM 1142 CB ALA A 74 7.033 -7.405 -6.428 1.00 0.00 C ATOM 0 H ALA A 74 5.206 -7.994 -4.891 1.00 0.00 H new ATOM 0 HA ALA A 74 7.378 -6.220 -4.676 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.819 -6.925 -7.012 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.426 -8.310 -5.965 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.201 -7.664 -7.083 1.00 0.00 H new ATOM 1148 N ARG A 75 4.967 -5.204 -6.696 1.00 0.00 N ATOM 1149 CA ARG A 75 4.413 -4.025 -7.354 1.00 0.00 C ATOM 1150 C ARG A 75 3.840 -3.032 -6.346 1.00 0.00 C ATOM 1151 O ARG A 75 3.664 -1.855 -6.659 1.00 0.00 O ATOM 1152 CB ARG A 75 3.336 -4.439 -8.361 1.00 0.00 C ATOM 1153 CG ARG A 75 2.372 -5.490 -7.833 1.00 0.00 C ATOM 1154 CD ARG A 75 1.413 -5.960 -8.913 1.00 0.00 C ATOM 1155 NE ARG A 75 2.119 -6.495 -10.076 1.00 0.00 N ATOM 1156 CZ ARG A 75 1.680 -6.377 -11.327 1.00 0.00 C ATOM 1157 NH1 ARG A 75 0.545 -5.736 -11.580 1.00 0.00 N ATOM 1158 NH2 ARG A 75 2.378 -6.897 -12.327 1.00 0.00 N ATOM 0 H ARG A 75 4.432 -6.060 -6.845 1.00 0.00 H new ATOM 0 HA ARG A 75 5.226 -3.527 -7.882 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.770 -3.556 -8.656 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.820 -4.822 -9.259 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.935 -6.341 -7.449 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.806 -5.079 -6.997 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.754 -6.726 -8.505 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.781 -5.128 -9.224 1.00 0.00 H new ATOM 0 HE ARG A 75 2.999 -6.987 -9.920 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.006 -5.332 -10.814 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.212 -5.648 -12.540 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.252 -7.388 -12.138 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.041 -6.806 -13.285 1.00 0.00 H new ATOM 1172 N SER A 76 3.553 -3.508 -5.136 1.00 0.00 N ATOM 1173 CA SER A 76 2.998 -2.653 -4.092 1.00 0.00 C ATOM 1174 C SER A 76 3.921 -1.478 -3.779 1.00 0.00 C ATOM 1175 O SER A 76 3.473 -0.334 -3.700 1.00 0.00 O ATOM 1176 CB SER A 76 2.744 -3.464 -2.822 1.00 0.00 C ATOM 1177 OG SER A 76 1.815 -4.506 -3.060 1.00 0.00 O ATOM 0 H SER A 76 3.696 -4.478 -4.856 1.00 0.00 H new ATOM 0 HA SER A 76 2.054 -2.253 -4.462 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.683 -3.885 -2.462 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.367 -2.808 -2.037 1.00 0.00 H new ATOM 0 HG SER A 76 2.032 -4.951 -3.906 1.00 0.00 H new ATOM 1183 N LEU A 77 5.209 -1.764 -3.598 1.00 0.00 N ATOM 1184 CA LEU A 77 6.183 -0.719 -3.293 1.00 0.00 C ATOM 1185 C LEU A 77 6.170 0.365 -4.366 1.00 0.00 C ATOM 1186 O LEU A 77 6.002 1.547 -4.062 1.00 0.00 O ATOM 1187 CB LEU A 77 7.593 -1.307 -3.163 1.00 0.00 C ATOM 1188 CG LEU A 77 7.831 -2.154 -1.910 1.00 0.00 C ATOM 1189 CD1 LEU A 77 7.339 -3.573 -2.122 1.00 0.00 C ATOM 1190 CD2 LEU A 77 9.303 -2.149 -1.531 1.00 0.00 C ATOM 0 H LEU A 77 5.600 -2.704 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 77 5.902 -0.272 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.796 -1.920 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.313 -0.489 -3.172 1.00 0.00 H new ATOM 0 HG LEU A 77 7.265 -1.715 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.517 -4.158 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.271 -3.559 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.874 -4.023 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.451 -2.757 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.891 -2.560 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.624 -1.127 -1.331 1.00 0.00 H new ATOM 1202 N GLU A 78 6.354 -0.045 -5.619 1.00 0.00 N ATOM 1203 CA GLU A 78 6.353 0.887 -6.745 1.00 0.00 C ATOM 1204 C GLU A 78 5.142 1.814 -6.700 1.00 0.00 C ATOM 1205 O GLU A 78 5.225 2.977 -7.093 1.00 0.00 O ATOM 1206 CB GLU A 78 6.369 0.120 -8.069 1.00 0.00 C ATOM 1207 CG GLU A 78 7.634 -0.692 -8.286 1.00 0.00 C ATOM 1208 CD GLU A 78 7.623 -1.447 -9.600 1.00 0.00 C ATOM 1209 OE1 GLU A 78 7.134 -2.596 -9.620 1.00 0.00 O ATOM 1210 OE2 GLU A 78 8.101 -0.889 -10.609 1.00 0.00 O ATOM 0 H GLU A 78 6.506 -1.019 -5.881 1.00 0.00 H new ATOM 0 HA GLU A 78 7.253 1.498 -6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.508 -0.548 -8.103 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.256 0.827 -8.890 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.497 -0.027 -8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.752 -1.400 -7.465 1.00 0.00 H new ATOM 1217 N GLN A 79 4.020 1.293 -6.216 1.00 0.00 N ATOM 1218 CA GLN A 79 2.794 2.077 -6.121 1.00 0.00 C ATOM 1219 C GLN A 79 2.914 3.152 -5.045 1.00 0.00 C ATOM 1220 O GLN A 79 2.478 4.287 -5.239 1.00 0.00 O ATOM 1221 CB GLN A 79 1.604 1.161 -5.828 1.00 0.00 C ATOM 1222 CG GLN A 79 1.315 0.173 -6.949 1.00 0.00 C ATOM 1223 CD GLN A 79 0.316 -0.897 -6.550 1.00 0.00 C ATOM 1224 OE1 GLN A 79 0.307 -1.253 -5.270 1.00 0.00 O flip ATOM 1225 NE2 GLN A 79 -0.435 -1.401 -7.384 1.00 0.00 N flip ATOM 0 H GLN A 79 3.934 0.332 -5.884 1.00 0.00 H new ATOM 0 HA GLN A 79 2.631 2.574 -7.078 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.797 0.610 -4.908 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.718 1.772 -5.654 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.933 0.715 -7.814 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.246 -0.303 -7.256 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.394 -1.097 -8.357 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.099 -2.123 -7.103 1.00 0.00 H new ATOM 1234 N ILE A 80 3.507 2.790 -3.911 1.00 0.00 N ATOM 1235 CA ILE A 80 3.688 3.730 -2.811 1.00 0.00 C ATOM 1236 C ILE A 80 4.712 4.803 -3.173 1.00 0.00 C ATOM 1237 O ILE A 80 4.392 5.991 -3.212 1.00 0.00 O ATOM 1238 CB ILE A 80 4.146 3.004 -1.529 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.096 1.974 -1.101 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.403 4.004 -0.410 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.560 1.063 0.016 1.00 0.00 C ATOM 0 H ILE A 80 3.870 1.854 -3.731 1.00 0.00 H new ATOM 0 HA ILE A 80 2.723 4.202 -2.627 1.00 0.00 H new ATOM 0 HB ILE A 80 5.079 2.482 -1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.195 2.498 -0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.822 1.367 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.725 3.473 0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.182 4.702 -0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.487 4.554 -0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.765 0.360 0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.443 0.512 -0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.806 1.660 0.894 1.00 0.00 H new ATOM 1253 N GLY A 81 5.942 4.371 -3.446 1.00 0.00 N ATOM 1254 CA GLY A 81 7.001 5.299 -3.811 1.00 0.00 C ATOM 1255 C GLY A 81 7.327 6.289 -2.709 1.00 0.00 C ATOM 1256 O GLY A 81 6.505 7.139 -2.364 1.00 0.00 O ATOM 0 H GLY A 81 6.225 3.391 -3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.899 4.736 -4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.705 5.845 -4.707 1.00 0.00 H new ATOM 1260 N GLY A 82 8.534 6.188 -2.156 1.00 0.00 N ATOM 1261 CA GLY A 82 8.942 7.094 -1.098 1.00 0.00 C ATOM 1262 C GLY A 82 10.033 6.515 -0.217 1.00 0.00 C ATOM 1263 O GLY A 82 10.426 5.360 -0.380 1.00 0.00 O ATOM 0 H GLY A 82 9.234 5.496 -2.422 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.294 8.026 -1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.077 7.340 -0.483 1.00 0.00 H new ATOM 1267 N GLU A 83 10.529 7.324 0.714 1.00 0.00 N ATOM 1268 CA GLU A 83 11.577 6.886 1.628 1.00 0.00 C ATOM 1269 C GLU A 83 11.024 5.902 2.655 1.00 0.00 C ATOM 1270 O GLU A 83 11.765 5.101 3.224 1.00 0.00 O ATOM 1271 CB GLU A 83 12.199 8.088 2.341 1.00 0.00 C ATOM 1272 CG GLU A 83 11.216 8.857 3.211 1.00 0.00 C ATOM 1273 CD GLU A 83 11.848 10.061 3.879 1.00 0.00 C ATOM 1274 OE1 GLU A 83 12.415 9.900 4.980 1.00 0.00 O ATOM 1275 OE2 GLU A 83 11.774 11.167 3.302 1.00 0.00 O ATOM 0 H GLU A 83 10.222 8.286 0.855 1.00 0.00 H new ATOM 0 HA GLU A 83 12.347 6.382 1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 83 13.027 7.744 2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.618 8.764 1.596 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.375 9.185 2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.815 8.191 3.975 1.00 0.00 H new ATOM 1282 N ARG A 84 9.715 5.968 2.884 1.00 0.00 N ATOM 1283 CA ARG A 84 9.064 5.086 3.845 1.00 0.00 C ATOM 1284 C ARG A 84 8.993 3.656 3.316 1.00 0.00 C ATOM 1285 O ARG A 84 9.289 2.702 4.036 1.00 0.00 O ATOM 1286 CB ARG A 84 7.655 5.597 4.201 1.00 0.00 C ATOM 1287 CG ARG A 84 7.002 6.484 3.142 1.00 0.00 C ATOM 1288 CD ARG A 84 6.658 5.715 1.879 1.00 0.00 C ATOM 1289 NE ARG A 84 6.069 4.410 2.171 1.00 0.00 N ATOM 1290 CZ ARG A 84 4.968 4.232 2.899 1.00 0.00 C ATOM 1291 NH1 ARG A 84 4.334 5.273 3.424 1.00 0.00 N ATOM 1292 NH2 ARG A 84 4.502 3.009 3.105 1.00 0.00 N ATOM 0 H ARG A 84 9.086 6.622 2.418 1.00 0.00 H new ATOM 0 HA ARG A 84 9.667 5.086 4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.009 4.738 4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.713 6.155 5.135 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.095 6.929 3.552 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.675 7.305 2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 84 5.962 6.300 1.278 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.559 5.579 1.281 1.00 0.00 H new ATOM 0 HE ARG A 84 6.531 3.583 1.793 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.689 6.217 3.271 1.00 0.00 H new ATOM 0 HH12 ARG A 84 3.491 5.129 3.980 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.986 2.205 2.706 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.659 2.872 3.662 1.00 0.00 H new ATOM 1306 N VAL A 85 8.598 3.518 2.058 1.00 0.00 N ATOM 1307 CA VAL A 85 8.490 2.213 1.424 1.00 0.00 C ATOM 1308 C VAL A 85 9.868 1.625 1.170 1.00 0.00 C ATOM 1309 O VAL A 85 10.039 0.408 1.096 1.00 0.00 O ATOM 1310 CB VAL A 85 7.725 2.312 0.096 1.00 0.00 C ATOM 1311 CG1 VAL A 85 8.531 3.078 -0.941 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.352 0.930 -0.413 1.00 0.00 C ATOM 0 H VAL A 85 8.346 4.300 1.454 1.00 0.00 H new ATOM 0 HA VAL A 85 7.941 1.560 2.102 1.00 0.00 H new ATOM 0 HB VAL A 85 6.803 2.866 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.967 3.134 -1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.729 4.086 -0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.476 2.564 -1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.811 1.023 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.257 0.344 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.720 0.430 0.321 1.00 0.00 H new ATOM 1322 N ARG A 86 10.842 2.511 1.027 1.00 0.00 N ATOM 1323 CA ARG A 86 12.223 2.114 0.787 1.00 0.00 C ATOM 1324 C ARG A 86 12.697 1.129 1.853 1.00 0.00 C ATOM 1325 O ARG A 86 13.555 0.285 1.597 1.00 0.00 O ATOM 1326 CB ARG A 86 13.121 3.357 0.756 1.00 0.00 C ATOM 1327 CG ARG A 86 14.517 3.136 1.322 1.00 0.00 C ATOM 1328 CD ARG A 86 15.421 4.330 1.064 1.00 0.00 C ATOM 1329 NE ARG A 86 16.756 4.134 1.623 1.00 0.00 N ATOM 1330 CZ ARG A 86 17.327 4.971 2.484 1.00 0.00 C ATOM 1331 NH1 ARG A 86 16.681 6.056 2.889 1.00 0.00 N ATOM 1332 NH2 ARG A 86 18.545 4.721 2.944 1.00 0.00 N ATOM 0 H ARG A 86 10.700 3.520 1.074 1.00 0.00 H new ATOM 0 HA ARG A 86 12.283 1.612 -0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 86 13.210 3.701 -0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.636 4.155 1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.451 2.954 2.395 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.955 2.244 0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.499 4.501 -0.010 1.00 0.00 H new ATOM 0 HD3 ARG A 86 14.974 5.224 1.498 1.00 0.00 H new ATOM 0 HE ARG A 86 17.280 3.307 1.336 1.00 0.00 H new ATOM 0 HH11 ARG A 86 15.743 6.251 2.540 1.00 0.00 H new ATOM 0 HH12 ARG A 86 17.122 6.696 3.550 1.00 0.00 H new ATOM 0 HH21 ARG A 86 19.045 3.886 2.637 1.00 0.00 H new ATOM 0 HH22 ARG A 86 18.983 5.363 3.604 1.00 0.00 H new ATOM 1346 N ALA A 87 12.122 1.240 3.046 1.00 0.00 N ATOM 1347 CA ALA A 87 12.476 0.360 4.151 1.00 0.00 C ATOM 1348 C ALA A 87 12.058 -1.074 3.853 1.00 0.00 C ATOM 1349 O ALA A 87 12.711 -2.024 4.283 1.00 0.00 O ATOM 1350 CB ALA A 87 11.824 0.842 5.437 1.00 0.00 C ATOM 0 H ALA A 87 11.408 1.932 3.271 1.00 0.00 H new ATOM 0 HA ALA A 87 13.559 0.383 4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.097 0.175 6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.167 1.852 5.662 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.741 0.845 5.317 1.00 0.00 H new ATOM 1356 N ALA A 88 10.964 -1.218 3.111 1.00 0.00 N ATOM 1357 CA ALA A 88 10.450 -2.533 2.750 1.00 0.00 C ATOM 1358 C ALA A 88 11.464 -3.318 1.927 1.00 0.00 C ATOM 1359 O ALA A 88 11.866 -4.416 2.312 1.00 0.00 O ATOM 1360 CB ALA A 88 9.138 -2.401 1.993 1.00 0.00 C ATOM 0 H ALA A 88 10.416 -0.438 2.748 1.00 0.00 H new ATOM 0 HA ALA A 88 10.269 -3.086 3.672 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.768 -3.392 1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.405 -1.894 2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.299 -1.822 1.084 1.00 0.00 H new ATOM 1366 N MET A 89 11.878 -2.757 0.791 1.00 0.00 N ATOM 1367 CA MET A 89 12.845 -3.435 -0.063 1.00 0.00 C ATOM 1368 C MET A 89 14.208 -3.503 0.611 1.00 0.00 C ATOM 1369 O MET A 89 15.018 -4.376 0.302 1.00 0.00 O ATOM 1370 CB MET A 89 12.956 -2.767 -1.440 1.00 0.00 C ATOM 1371 CG MET A 89 13.349 -1.298 -1.428 1.00 0.00 C ATOM 1372 SD MET A 89 15.047 -1.015 -0.890 1.00 0.00 S ATOM 1373 CE MET A 89 15.203 0.744 -1.182 1.00 0.00 C ATOM 0 H MET A 89 11.564 -1.850 0.447 1.00 0.00 H new ATOM 0 HA MET A 89 12.484 -4.451 -0.219 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.688 -3.316 -2.032 1.00 0.00 H new ATOM 0 HB3 MET A 89 11.997 -2.864 -1.949 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.220 -0.887 -2.429 1.00 0.00 H new ATOM 0 HG3 MET A 89 12.672 -0.754 -0.770 1.00 0.00 H new ATOM 0 HE1 MET A 89 16.162 1.093 -0.800 1.00 0.00 H new ATOM 0 HE2 MET A 89 15.146 0.942 -2.252 1.00 0.00 H new ATOM 0 HE3 MET A 89 14.396 1.270 -0.672 1.00 0.00 H new ATOM 1383 N GLU A 90 14.460 -2.575 1.528 1.00 0.00 N ATOM 1384 CA GLU A 90 15.722 -2.549 2.254 1.00 0.00 C ATOM 1385 C GLU A 90 15.850 -3.810 3.098 1.00 0.00 C ATOM 1386 O GLU A 90 16.902 -4.446 3.136 1.00 0.00 O ATOM 1387 CB GLU A 90 15.803 -1.304 3.141 1.00 0.00 C ATOM 1388 CG GLU A 90 17.204 -0.994 3.650 1.00 0.00 C ATOM 1389 CD GLU A 90 17.718 -2.025 4.636 1.00 0.00 C ATOM 1390 OE1 GLU A 90 17.207 -2.065 5.775 1.00 0.00 O ATOM 1391 OE2 GLU A 90 18.634 -2.793 4.271 1.00 0.00 O ATOM 0 H GLU A 90 13.808 -1.833 1.785 1.00 0.00 H new ATOM 0 HA GLU A 90 16.544 -2.512 1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.434 -0.446 2.579 1.00 0.00 H new ATOM 0 HB3 GLU A 90 15.139 -1.435 3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 90 17.888 -0.937 2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.203 -0.013 4.126 1.00 0.00 H new ATOM 1398 N LYS A 91 14.758 -4.165 3.768 1.00 0.00 N ATOM 1399 CA LYS A 91 14.728 -5.356 4.610 1.00 0.00 C ATOM 1400 C LYS A 91 14.721 -6.625 3.766 1.00 0.00 C ATOM 1401 O LYS A 91 15.100 -7.696 4.242 1.00 0.00 O ATOM 1402 CB LYS A 91 13.501 -5.331 5.523 1.00 0.00 C ATOM 1403 CG LYS A 91 13.473 -4.145 6.476 1.00 0.00 C ATOM 1404 CD LYS A 91 14.572 -4.241 7.522 1.00 0.00 C ATOM 1405 CE LYS A 91 14.550 -3.045 8.461 1.00 0.00 C ATOM 1406 NZ LYS A 91 15.613 -3.133 9.499 1.00 0.00 N ATOM 0 H LYS A 91 13.881 -3.644 3.744 1.00 0.00 H new ATOM 0 HA LYS A 91 15.630 -5.356 5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.601 -5.313 4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.472 -6.253 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.588 -3.220 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.503 -4.098 6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.450 -5.159 8.097 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.542 -4.300 7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.681 -2.129 7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.575 -2.981 8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.563 -2.299 10.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.474 -3.994 10.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.545 -3.168 9.039 1.00 0.00 H new ATOM 1420 N LEU A 92 14.291 -6.507 2.512 1.00 0.00 N ATOM 1421 CA LEU A 92 14.241 -7.647 1.617 1.00 0.00 C ATOM 1422 C LEU A 92 15.587 -7.833 0.922 1.00 0.00 C ATOM 1423 O LEU A 92 15.963 -8.946 0.568 1.00 0.00 O ATOM 1424 CB LEU A 92 13.105 -7.454 0.603 1.00 0.00 C ATOM 1425 CG LEU A 92 13.395 -7.904 -0.828 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.423 -9.423 -0.924 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.350 -7.328 -1.773 1.00 0.00 C ATOM 0 H LEU A 92 13.973 -5.631 2.098 1.00 0.00 H new ATOM 0 HA LEU A 92 14.039 -8.553 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.230 -7.996 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.840 -6.397 0.583 1.00 0.00 H new ATOM 0 HG LEU A 92 14.378 -7.532 -1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.631 -9.719 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.201 -9.815 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.457 -9.825 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.562 -7.652 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.361 -7.679 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.377 -6.239 -1.726 1.00 0.00 H new ATOM 1439 N ALA A 93 16.313 -6.733 0.744 1.00 0.00 N ATOM 1440 CA ALA A 93 17.620 -6.775 0.100 1.00 0.00 C ATOM 1441 C ALA A 93 18.622 -7.549 0.950 1.00 0.00 C ATOM 1442 O ALA A 93 19.657 -7.995 0.456 1.00 0.00 O ATOM 1443 CB ALA A 93 18.123 -5.364 -0.167 1.00 0.00 C ATOM 0 H ALA A 93 16.017 -5.802 1.037 1.00 0.00 H new ATOM 0 HA ALA A 93 17.515 -7.294 -0.853 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.100 -5.411 -0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.421 -4.845 -0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.209 -4.824 0.776 1.00 0.00 H new ATOM 1449 N GLU A 94 18.309 -7.700 2.235 1.00 0.00 N ATOM 1450 CA GLU A 94 19.178 -8.427 3.154 1.00 0.00 C ATOM 1451 C GLU A 94 18.893 -9.923 3.075 1.00 0.00 C ATOM 1452 O GLU A 94 19.753 -10.749 3.382 1.00 0.00 O ATOM 1453 CB GLU A 94 18.980 -7.925 4.586 1.00 0.00 C ATOM 1454 CG GLU A 94 19.362 -6.467 4.774 1.00 0.00 C ATOM 1455 CD GLU A 94 20.846 -6.222 4.580 1.00 0.00 C ATOM 1456 OE1 GLU A 94 21.614 -6.449 5.538 1.00 0.00 O ATOM 1457 OE2 GLU A 94 21.240 -5.803 3.471 1.00 0.00 O ATOM 0 H GLU A 94 17.460 -7.328 2.662 1.00 0.00 H new ATOM 0 HA GLU A 94 20.214 -8.251 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 94 17.936 -8.058 4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.574 -8.539 5.263 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.801 -5.855 4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.072 -6.146 5.775 1.00 0.00 H new ATOM 1464 N THR A 95 17.677 -10.258 2.660 1.00 0.00 N ATOM 1465 CA THR A 95 17.264 -11.648 2.515 1.00 0.00 C ATOM 1466 C THR A 95 16.861 -11.921 1.072 1.00 0.00 C ATOM 1467 O THR A 95 16.167 -12.896 0.780 1.00 0.00 O ATOM 1468 CB THR A 95 16.081 -11.989 3.442 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.002 -11.075 3.216 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.503 -11.933 4.903 1.00 0.00 C ATOM 0 H THR A 95 16.955 -9.580 2.416 1.00 0.00 H new ATOM 0 HA THR A 95 18.111 -12.274 2.794 1.00 0.00 H new ATOM 0 HB THR A 95 15.751 -13.003 3.215 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.254 -11.300 3.808 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.651 -12.177 5.537 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.304 -12.651 5.078 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.857 -10.930 5.141 1.00 0.00 H new ATOM 1478 N GLY A 96 17.314 -11.045 0.179 1.00 0.00 N ATOM 1479 CA GLY A 96 16.997 -11.169 -1.230 1.00 0.00 C ATOM 1480 C GLY A 96 17.255 -12.554 -1.781 1.00 0.00 C ATOM 1481 O GLY A 96 18.378 -13.056 -1.730 1.00 0.00 O ATOM 0 H GLY A 96 17.901 -10.244 0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.948 -10.914 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.587 -10.446 -1.793 1.00 0.00 H new ATOM 1485 N THR A 97 16.206 -13.168 -2.311 1.00 0.00 N ATOM 1486 CA THR A 97 16.308 -14.501 -2.888 1.00 0.00 C ATOM 1487 C THR A 97 15.429 -14.628 -4.130 1.00 0.00 C ATOM 1488 O THR A 97 14.251 -14.270 -4.109 1.00 0.00 O ATOM 1489 CB THR A 97 15.912 -15.588 -1.869 1.00 0.00 C ATOM 1490 OG1 THR A 97 15.955 -16.880 -2.488 1.00 0.00 O ATOM 1491 CG2 THR A 97 14.520 -15.334 -1.312 1.00 0.00 C ATOM 0 H THR A 97 15.271 -12.762 -2.353 1.00 0.00 H new ATOM 0 HA THR A 97 17.351 -14.648 -3.170 1.00 0.00 H new ATOM 0 HB THR A 97 16.625 -15.555 -1.045 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.704 -17.565 -1.834 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.266 -16.116 -0.596 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.499 -14.365 -0.814 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.796 -15.339 -2.126 1.00 0.00 H new ATOM 1499 N GLY A 98 16.012 -15.138 -5.211 1.00 0.00 N ATOM 1500 CA GLY A 98 15.270 -15.303 -6.449 1.00 0.00 C ATOM 1501 C GLY A 98 14.770 -13.986 -7.011 1.00 0.00 C ATOM 1502 O GLY A 98 15.501 -12.995 -7.032 1.00 0.00 O ATOM 0 H GLY A 98 16.985 -15.440 -5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.907 -15.790 -7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.421 -15.964 -6.274 1.00 0.00 H new ATOM 1506 N PHE A 99 13.521 -13.979 -7.466 1.00 0.00 N ATOM 1507 CA PHE A 99 12.913 -12.780 -8.033 1.00 0.00 C ATOM 1508 C PHE A 99 12.742 -11.698 -6.970 1.00 0.00 C ATOM 1509 O PHE A 99 12.876 -10.508 -7.255 1.00 0.00 O ATOM 1510 CB PHE A 99 11.557 -13.129 -8.657 1.00 0.00 C ATOM 1511 CG PHE A 99 10.696 -11.936 -8.971 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.930 -11.171 -10.102 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.649 -11.585 -8.133 1.00 0.00 C ATOM 1514 CE1 PHE A 99 10.135 -10.075 -10.391 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.852 -10.493 -8.417 1.00 0.00 C ATOM 1516 CZ PHE A 99 9.095 -9.737 -9.547 1.00 0.00 C ATOM 0 H PHE A 99 12.908 -14.794 -7.453 1.00 0.00 H new ATOM 0 HA PHE A 99 13.575 -12.391 -8.807 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.726 -13.692 -9.575 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.015 -13.785 -7.976 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.741 -11.432 -10.765 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.454 -12.172 -7.248 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.328 -9.485 -11.275 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.039 -10.231 -7.756 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.473 -8.883 -9.770 1.00 0.00 H new ATOM 1526 N ALA A 100 12.452 -12.124 -5.745 1.00 0.00 N ATOM 1527 CA ALA A 100 12.252 -11.201 -4.631 1.00 0.00 C ATOM 1528 C ALA A 100 13.406 -10.213 -4.494 1.00 0.00 C ATOM 1529 O ALA A 100 13.205 -9.065 -4.108 1.00 0.00 O ATOM 1530 CB ALA A 100 12.075 -11.978 -3.338 1.00 0.00 C ATOM 0 H ALA A 100 12.350 -13.108 -5.497 1.00 0.00 H new ATOM 0 HA ALA A 100 11.350 -10.625 -4.838 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.926 -11.282 -2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.207 -12.632 -3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.965 -12.579 -3.150 1.00 0.00 H new ATOM 1536 N ARG A 101 14.613 -10.660 -4.811 1.00 0.00 N ATOM 1537 CA ARG A 101 15.794 -9.809 -4.707 1.00 0.00 C ATOM 1538 C ARG A 101 15.821 -8.753 -5.807 1.00 0.00 C ATOM 1539 O ARG A 101 15.925 -7.558 -5.526 1.00 0.00 O ATOM 1540 CB ARG A 101 17.053 -10.656 -4.781 1.00 0.00 C ATOM 1541 CG ARG A 101 18.337 -9.851 -4.676 1.00 0.00 C ATOM 1542 CD ARG A 101 19.425 -10.642 -3.973 1.00 0.00 C ATOM 1543 NE ARG A 101 19.643 -11.944 -4.598 1.00 0.00 N ATOM 1544 CZ ARG A 101 20.477 -12.863 -4.121 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.178 -12.622 -3.022 1.00 0.00 N ATOM 1546 NH2 ARG A 101 20.611 -14.025 -4.746 1.00 0.00 N ATOM 0 H ARG A 101 14.802 -11.606 -5.142 1.00 0.00 H new ATOM 0 HA ARG A 101 15.752 -9.297 -3.746 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.031 -11.395 -3.980 1.00 0.00 H new ATOM 0 HB3 ARG A 101 17.055 -11.206 -5.722 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.675 -9.569 -5.673 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.146 -8.926 -4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 101 20.354 -10.073 -3.987 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.153 -10.783 -2.927 1.00 0.00 H new ATOM 0 HE ARG A 101 19.125 -12.161 -5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.079 -11.729 -2.539 1.00 0.00 H new ATOM 0 HH12 ARG A 101 21.817 -13.330 -2.659 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.074 -14.214 -5.593 1.00 0.00 H new ATOM 0 HH22 ARG A 101 21.251 -14.730 -4.380 1.00 0.00 H new ATOM 1560 N LYS A 102 15.742 -9.203 -7.059 1.00 0.00 N ATOM 1561 CA LYS A 102 15.751 -8.300 -8.205 1.00 0.00 C ATOM 1562 C LYS A 102 14.743 -7.172 -8.004 1.00 0.00 C ATOM 1563 O LYS A 102 14.846 -6.109 -8.613 1.00 0.00 O ATOM 1564 CB LYS A 102 15.426 -9.077 -9.482 1.00 0.00 C ATOM 1565 CG LYS A 102 15.477 -8.235 -10.744 1.00 0.00 C ATOM 1566 CD LYS A 102 15.175 -9.069 -11.976 1.00 0.00 C ATOM 1567 CE LYS A 102 15.148 -8.215 -13.230 1.00 0.00 C ATOM 1568 NZ LYS A 102 14.058 -7.202 -13.188 1.00 0.00 N ATOM 0 H LYS A 102 15.671 -10.191 -7.304 1.00 0.00 H new ATOM 0 HA LYS A 102 16.745 -7.862 -8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.128 -9.905 -9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.431 -9.512 -9.387 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.758 -7.420 -10.669 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.464 -7.782 -10.842 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.928 -9.850 -12.082 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.214 -9.568 -11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.108 -7.711 -13.347 1.00 0.00 H new ATOM 0 HE3 LYS A 102 15.016 -8.855 -14.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.894 -6.828 -14.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.186 -7.645 -12.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.331 -6.424 -12.554 1.00 0.00 H new ATOM 1582 N VAL A 103 13.773 -7.425 -7.135 1.00 0.00 N ATOM 1583 CA VAL A 103 12.732 -6.458 -6.822 1.00 0.00 C ATOM 1584 C VAL A 103 13.279 -5.286 -6.004 1.00 0.00 C ATOM 1585 O VAL A 103 13.189 -4.133 -6.420 1.00 0.00 O ATOM 1586 CB VAL A 103 11.596 -7.140 -6.037 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.620 -6.112 -5.481 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.871 -8.143 -6.919 1.00 0.00 C ATOM 0 H VAL A 103 13.687 -8.306 -6.628 1.00 0.00 H new ATOM 0 HA VAL A 103 12.350 -6.069 -7.766 1.00 0.00 H new ATOM 0 HB VAL A 103 12.038 -7.672 -5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.829 -6.622 -4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.148 -5.434 -4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.183 -5.543 -6.302 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.071 -8.617 -6.350 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.447 -7.629 -7.782 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.574 -8.904 -7.259 1.00 0.00 H new ATOM 1598 N ALA A 104 13.843 -5.597 -4.841 1.00 0.00 N ATOM 1599 CA ALA A 104 14.395 -4.582 -3.946 1.00 0.00 C ATOM 1600 C ALA A 104 15.478 -3.742 -4.618 1.00 0.00 C ATOM 1601 O ALA A 104 15.475 -2.514 -4.539 1.00 0.00 O ATOM 1602 CB ALA A 104 14.970 -5.250 -2.705 1.00 0.00 C ATOM 0 H ALA A 104 13.931 -6.552 -4.493 1.00 0.00 H new ATOM 0 HA ALA A 104 13.580 -3.912 -3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.381 -4.490 -2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.182 -5.797 -2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.760 -5.942 -2.997 1.00 0.00 H new ATOM 1608 N VAL A 105 16.398 -4.426 -5.275 1.00 0.00 N ATOM 1609 CA VAL A 105 17.531 -3.785 -5.942 1.00 0.00 C ATOM 1610 C VAL A 105 17.107 -2.889 -7.102 1.00 0.00 C ATOM 1611 O VAL A 105 17.519 -1.733 -7.181 1.00 0.00 O ATOM 1612 CB VAL A 105 18.532 -4.835 -6.463 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.764 -4.160 -7.048 1.00 0.00 C ATOM 1614 CG2 VAL A 105 18.920 -5.801 -5.354 1.00 0.00 C ATOM 0 H VAL A 105 16.386 -5.442 -5.365 1.00 0.00 H new ATOM 0 HA VAL A 105 18.005 -3.159 -5.186 1.00 0.00 H new ATOM 0 HB VAL A 105 18.049 -5.405 -7.257 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.458 -4.919 -7.410 1.00 0.00 H new ATOM 0 HG12 VAL A 105 19.467 -3.516 -7.875 1.00 0.00 H new ATOM 0 HG13 VAL A 105 20.251 -3.561 -6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.627 -6.535 -5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.382 -5.249 -4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.029 -6.313 -4.989 1.00 0.00 H new ATOM 1624 N ASN A 106 16.301 -3.423 -8.009 1.00 0.00 N ATOM 1625 CA ASN A 106 15.849 -2.657 -9.167 1.00 0.00 C ATOM 1626 C ASN A 106 14.990 -1.470 -8.751 1.00 0.00 C ATOM 1627 O ASN A 106 15.170 -0.359 -9.250 1.00 0.00 O ATOM 1628 CB ASN A 106 15.066 -3.553 -10.128 1.00 0.00 C ATOM 1629 CG ASN A 106 14.619 -2.812 -11.373 1.00 0.00 C ATOM 1630 OD1 ASN A 106 15.346 -2.746 -12.365 1.00 0.00 O ATOM 1631 ND2 ASN A 106 13.416 -2.253 -11.331 1.00 0.00 N ATOM 0 H ASN A 106 15.947 -4.379 -7.968 1.00 0.00 H new ATOM 0 HA ASN A 106 16.735 -2.274 -9.673 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.686 -4.402 -10.416 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.193 -3.956 -9.615 1.00 0.00 H new ATOM 0 HD21 ASN A 106 13.061 -1.745 -12.141 1.00 0.00 H new ATOM 0 HD22 ASN A 106 12.846 -2.332 -10.489 1.00 0.00 H new ATOM 1638 N TYR A 107 14.056 -1.706 -7.837 1.00 0.00 N ATOM 1639 CA TYR A 107 13.164 -0.672 -7.373 1.00 0.00 C ATOM 1640 C TYR A 107 13.927 0.483 -6.725 1.00 0.00 C ATOM 1641 O TYR A 107 13.418 1.601 -6.644 1.00 0.00 O ATOM 1642 CB TYR A 107 12.172 -1.284 -6.400 1.00 0.00 C ATOM 1643 CG TYR A 107 11.316 -0.269 -5.714 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.364 0.460 -6.405 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.482 -0.038 -4.372 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.593 1.402 -5.761 1.00 0.00 C ATOM 1647 CE2 TYR A 107 10.719 0.902 -3.712 1.00 0.00 C ATOM 1648 CZ TYR A 107 9.771 1.622 -4.413 1.00 0.00 C ATOM 1649 OH TYR A 107 9.005 2.562 -3.769 1.00 0.00 O ATOM 0 H TYR A 107 13.903 -2.617 -7.404 1.00 0.00 H new ATOM 0 HA TYR A 107 12.631 -0.254 -8.227 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.533 -1.986 -6.936 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.716 -1.858 -5.650 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.224 0.288 -7.462 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.222 -0.602 -3.824 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.853 1.965 -6.310 1.00 0.00 H new ATOM 0 HE2 TYR A 107 10.861 1.074 -2.655 1.00 0.00 H new ATOM 0 HH TYR A 107 9.585 3.261 -3.402 1.00 0.00 H new ATOM 1659 N LEU A 108 15.144 0.206 -6.263 1.00 0.00 N ATOM 1660 CA LEU A 108 15.975 1.227 -5.624 1.00 0.00 C ATOM 1661 C LEU A 108 16.155 2.439 -6.536 1.00 0.00 C ATOM 1662 O LEU A 108 16.527 3.520 -6.080 1.00 0.00 O ATOM 1663 CB LEU A 108 17.342 0.648 -5.255 1.00 0.00 C ATOM 1664 CG LEU A 108 17.607 0.503 -3.754 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.787 -0.425 -3.510 1.00 0.00 C ATOM 1666 CD2 LEU A 108 17.862 1.865 -3.125 1.00 0.00 C ATOM 0 H LEU A 108 15.578 -0.716 -6.318 1.00 0.00 H new ATOM 0 HA LEU A 108 15.467 1.551 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.441 -0.332 -5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 108 18.116 1.285 -5.684 1.00 0.00 H new ATOM 0 HG LEU A 108 16.723 0.068 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.962 -0.517 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.569 -1.408 -3.928 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.677 -0.016 -3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 108 18.049 1.744 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 108 18.731 2.326 -3.595 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.990 2.502 -3.271 1.00 0.00 H new ATOM 1678 N GLU A 109 15.889 2.249 -7.825 1.00 0.00 N ATOM 1679 CA GLU A 109 16.014 3.325 -8.802 1.00 0.00 C ATOM 1680 C GLU A 109 14.901 4.354 -8.621 1.00 0.00 C ATOM 1681 O GLU A 109 14.844 5.356 -9.336 1.00 0.00 O ATOM 1682 CB GLU A 109 15.974 2.753 -10.220 1.00 0.00 C ATOM 1683 CG GLU A 109 17.143 1.836 -10.541 1.00 0.00 C ATOM 1684 CD GLU A 109 17.081 1.284 -11.951 1.00 0.00 C ATOM 1685 OE1 GLU A 109 16.454 0.222 -12.147 1.00 0.00 O ATOM 1686 OE2 GLU A 109 17.660 1.914 -12.862 1.00 0.00 O ATOM 0 H GLU A 109 15.585 1.358 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 109 16.971 3.823 -8.644 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.043 2.202 -10.354 1.00 0.00 H new ATOM 0 HB3 GLU A 109 15.962 3.576 -10.934 1.00 0.00 H new ATOM 0 HG2 GLU A 109 18.076 2.384 -10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.157 1.009 -9.831 1.00 0.00 H new ATOM 1693 N THR A 110 14.019 4.098 -7.660 1.00 0.00 N ATOM 1694 CA THR A 110 12.903 4.992 -7.374 1.00 0.00 C ATOM 1695 C THR A 110 12.598 5.003 -5.876 1.00 0.00 C ATOM 1696 O THR A 110 11.448 5.153 -5.462 1.00 0.00 O ATOM 1697 CB THR A 110 11.638 4.575 -8.152 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.990 4.206 -9.491 1.00 0.00 O ATOM 1699 CG2 THR A 110 10.622 5.709 -8.193 1.00 0.00 C ATOM 0 H THR A 110 14.057 3.272 -7.062 1.00 0.00 H new ATOM 0 HA THR A 110 13.193 5.993 -7.693 1.00 0.00 H new ATOM 0 HB THR A 110 11.190 3.724 -7.639 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.183 3.941 -9.980 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.740 5.388 -8.747 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.334 5.976 -7.176 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.064 6.576 -8.685 1.00 0.00 H new ATOM 1707 N HIS A 111 13.647 4.842 -5.072 1.00 0.00 N ATOM 1708 CA HIS A 111 13.519 4.833 -3.616 1.00 0.00 C ATOM 1709 C HIS A 111 12.675 3.652 -3.150 1.00 0.00 C ATOM 1710 O HIS A 111 11.445 3.823 -3.013 1.00 0.00 O ATOM 1711 CB HIS A 111 12.898 6.143 -3.118 1.00 0.00 C ATOM 1712 CG HIS A 111 13.501 7.369 -3.732 1.00 0.00 C ATOM 1713 ND1 HIS A 111 12.887 8.086 -4.737 1.00 0.00 N ATOM 1714 CD2 HIS A 111 14.666 8.009 -3.473 1.00 0.00 C ATOM 1715 CE1 HIS A 111 13.648 9.113 -5.071 1.00 0.00 C ATOM 1716 NE2 HIS A 111 14.732 9.089 -4.319 1.00 0.00 N ATOM 1717 OXT HIS A 111 13.250 2.568 -2.924 1.00 0.00 O ATOM 0 H HIS A 111 14.602 4.715 -5.407 1.00 0.00 H new ATOM 0 HA HIS A 111 14.520 4.734 -3.196 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.829 6.131 -3.329 1.00 0.00 H new ATOM 0 HB3 HIS A 111 13.009 6.198 -2.035 1.00 0.00 H new ATOM 0 HD2 HIS A 111 15.405 7.724 -2.739 1.00 0.00 H new ATOM 0 HE1 HIS A 111 13.421 9.847 -5.830 1.00 0.00 H new ATOM 0 HE2 HIS A 111 15.496 9.764 -4.359 1.00 0.00 H new TER 1726 HIS A 111