USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : B 1 GLY N :NH3+ 175:sc= 1.1 (180deg=0.963) USER MOD Single : B 2 HIS : no HD1:sc= -0.0537 X(o=-0.054,f=0) USER MOD Single : B 3 MET CE :methyl 174:sc= 0 (180deg=-0.0274) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= -0.0235 USER MOD Single : B 24 MET CE :methyl 160:sc= -0.137 (180deg=-0.675) USER MOD Single : B 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ -160:sc= 0.79 (180deg=0.253) USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 THR OG1 : rot 180:sc= 0.00237 USER MOD Single : B 43 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : B 49 HIS : no HE2:sc= 0.427 K(o=0.43,f=-5.3!) USER MOD Single : B 55 GLN : amide:sc= 0.404 K(o=0.4,f=-0.95) USER MOD Single : B 57 ASN : amide:sc= -0.991 X(o=-0.99,f=-1.2) USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 72 THR OG1 : rot 180:sc= -0.219 USER MOD Single : B 73 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 78 SER OG : rot 78:sc= 1.3 USER MOD Single : B 82 ASN : amide:sc= -0.0067 K(o=-0.0067,f=-0.94) USER MOD Single : B 83 THR OG1 : rot 110:sc= 0.0157 USER MOD Single : B 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 99 GLN : amide:sc= -0.442 X(o=-0.44,f=-0.77) USER MOD Single : B 100 SER OG : rot -118:sc= 1.26 USER MOD Single : B 104 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.85) USER MOD Single : B 107 GLN :FLIP amide:sc= -0.0246 F(o=-2.4!,f=-0.025) USER MOD Single : B 108 GLN : amide:sc= -0.405! X(o=-0.4!,f=-0.86) USER MOD Single : B 109 THR OG1 : rot 180:sc= 0 USER MOD Single : B 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY B 1 -12.378 -9.942 5.092 1.00 0.00 N ATOM 2 CA GLY B 1 -12.852 -9.209 6.256 1.00 0.00 C ATOM 3 C GLY B 1 -12.656 -7.740 6.070 1.00 0.00 C ATOM 4 O GLY B 1 -13.493 -7.076 5.473 1.00 0.00 O ATOM 0 H1 GLY B 1 -12.444 -10.964 5.274 1.00 0.00 H new ATOM 0 H2 GLY B 1 -12.963 -9.699 4.267 1.00 0.00 H new ATOM 0 H3 GLY B 1 -11.388 -9.688 4.901 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -13.908 -9.422 6.421 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -12.317 -9.543 7.145 1.00 0.00 H new ATOM 10 N HIS B 2 -11.533 -7.229 6.497 1.00 0.00 N ATOM 11 CA HIS B 2 -11.278 -5.805 6.409 1.00 0.00 C ATOM 12 C HIS B 2 -9.849 -5.584 5.979 1.00 0.00 C ATOM 13 O HIS B 2 -9.053 -6.501 6.014 1.00 0.00 O ATOM 14 CB HIS B 2 -11.558 -5.092 7.765 1.00 0.00 C ATOM 15 CG HIS B 2 -10.651 -5.500 8.909 1.00 0.00 C ATOM 16 ND1 HIS B 2 -10.989 -6.411 9.882 1.00 0.00 N ATOM 17 CD2 HIS B 2 -9.398 -5.082 9.217 1.00 0.00 C ATOM 18 CE1 HIS B 2 -9.960 -6.519 10.726 1.00 0.00 C ATOM 19 NE2 HIS B 2 -8.967 -5.727 10.365 1.00 0.00 N ATOM 0 H HIS B 2 -10.776 -7.773 6.911 1.00 0.00 H new ATOM 0 HA HIS B 2 -11.954 -5.373 5.671 1.00 0.00 H new ATOM 0 HB2 HIS B 2 -11.467 -4.016 7.617 1.00 0.00 H new ATOM 0 HB3 HIS B 2 -12.591 -5.288 8.054 1.00 0.00 H new ATOM 0 HD2 HIS B 2 -8.825 -4.359 8.655 1.00 0.00 H new ATOM 0 HE1 HIS B 2 -9.942 -7.168 11.589 1.00 0.00 H new ATOM 0 HE2 HIS B 2 -8.068 -5.614 10.834 1.00 0.00 H new ATOM 27 N MET B 3 -9.530 -4.394 5.582 1.00 0.00 N ATOM 28 CA MET B 3 -8.180 -4.078 5.224 1.00 0.00 C ATOM 29 C MET B 3 -7.473 -3.624 6.464 1.00 0.00 C ATOM 30 O MET B 3 -7.940 -2.690 7.128 1.00 0.00 O ATOM 31 CB MET B 3 -8.101 -2.964 4.208 1.00 0.00 C ATOM 32 CG MET B 3 -8.964 -3.112 2.955 1.00 0.00 C ATOM 33 SD MET B 3 -10.735 -2.874 3.267 1.00 0.00 S ATOM 34 CE MET B 3 -11.362 -3.036 1.605 1.00 0.00 C ATOM 0 H MET B 3 -10.188 -3.619 5.496 1.00 0.00 H new ATOM 0 HA MET B 3 -7.727 -4.967 4.785 1.00 0.00 H new ATOM 0 HB2 MET B 3 -8.377 -2.033 4.703 1.00 0.00 H new ATOM 0 HB3 MET B 3 -7.062 -2.863 3.895 1.00 0.00 H new ATOM 0 HG2 MET B 3 -8.634 -2.390 2.208 1.00 0.00 H new ATOM 0 HG3 MET B 3 -8.808 -4.104 2.530 1.00 0.00 H new ATOM 0 HE1 MET B 3 -12.452 -3.023 1.624 1.00 0.00 H new ATOM 0 HE2 MET B 3 -11.000 -2.207 0.997 1.00 0.00 H new ATOM 0 HE3 MET B 3 -11.018 -3.978 1.177 1.00 0.00 H new ATOM 44 N GLU B 4 -6.410 -4.286 6.833 1.00 0.00 N ATOM 45 CA GLU B 4 -5.659 -3.870 7.976 1.00 0.00 C ATOM 46 C GLU B 4 -4.845 -2.659 7.593 1.00 0.00 C ATOM 47 O GLU B 4 -3.843 -2.800 6.919 1.00 0.00 O ATOM 48 CB GLU B 4 -4.697 -4.953 8.421 1.00 0.00 C ATOM 49 CG GLU B 4 -5.284 -6.325 8.587 1.00 0.00 C ATOM 50 CD GLU B 4 -4.245 -7.284 9.132 1.00 0.00 C ATOM 51 OE1 GLU B 4 -3.999 -7.292 10.359 1.00 0.00 O ATOM 52 OE2 GLU B 4 -3.620 -8.003 8.352 1.00 0.00 O ATOM 0 H GLU B 4 -6.049 -5.113 6.357 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.353 -3.653 8.788 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -3.886 -5.012 7.695 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -4.255 -4.651 9.370 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.138 -6.282 9.263 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -5.654 -6.687 7.628 1.00 0.00 H new ATOM 59 N LEU B 5 -5.322 -1.480 7.921 1.00 0.00 N ATOM 60 CA LEU B 5 -4.567 -0.269 7.675 1.00 0.00 C ATOM 61 C LEU B 5 -3.561 -0.102 8.784 1.00 0.00 C ATOM 62 O LEU B 5 -3.875 0.463 9.848 1.00 0.00 O ATOM 63 CB LEU B 5 -5.443 1.019 7.601 1.00 0.00 C ATOM 64 CG LEU B 5 -6.637 1.051 6.634 1.00 0.00 C ATOM 65 CD1 LEU B 5 -6.312 0.378 5.321 1.00 0.00 C ATOM 66 CD2 LEU B 5 -7.892 0.482 7.268 1.00 0.00 C ATOM 0 H LEU B 5 -6.231 -1.332 8.360 1.00 0.00 H new ATOM 0 HA LEU B 5 -4.095 -0.383 6.699 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -5.825 1.216 8.603 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -4.786 1.850 7.341 1.00 0.00 H new ATOM 0 HG LEU B 5 -6.842 2.098 6.412 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -7.181 0.421 4.665 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -5.474 0.890 4.848 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -6.046 -0.663 5.502 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -8.712 0.523 6.551 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -7.715 -0.554 7.559 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -8.151 1.067 8.150 1.00 0.00 H new ATOM 78 N PHE B 6 -2.418 -0.665 8.594 1.00 0.00 N ATOM 79 CA PHE B 6 -1.355 -0.562 9.564 1.00 0.00 C ATOM 80 C PHE B 6 -0.217 0.309 9.059 1.00 0.00 C ATOM 81 O PHE B 6 0.046 0.360 7.846 1.00 0.00 O ATOM 82 CB PHE B 6 -0.855 -1.951 10.041 1.00 0.00 C ATOM 83 CG PHE B 6 -0.542 -2.955 8.958 1.00 0.00 C ATOM 84 CD1 PHE B 6 0.598 -2.859 8.179 1.00 0.00 C ATOM 85 CD2 PHE B 6 -1.395 -4.007 8.737 1.00 0.00 C ATOM 86 CE1 PHE B 6 0.865 -3.792 7.206 1.00 0.00 C ATOM 87 CE2 PHE B 6 -1.135 -4.942 7.770 1.00 0.00 C ATOM 88 CZ PHE B 6 -0.005 -4.838 7.003 1.00 0.00 C ATOM 0 H PHE B 6 -2.182 -1.212 7.766 1.00 0.00 H new ATOM 0 HA PHE B 6 -1.775 -0.068 10.440 1.00 0.00 H new ATOM 0 HB2 PHE B 6 0.043 -1.804 10.642 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -1.611 -2.380 10.698 1.00 0.00 H new ATOM 0 HD1 PHE B 6 1.286 -2.041 8.338 1.00 0.00 H new ATOM 0 HD2 PHE B 6 -2.288 -4.100 9.337 1.00 0.00 H new ATOM 0 HE1 PHE B 6 1.756 -3.704 6.602 1.00 0.00 H new ATOM 0 HE2 PHE B 6 -1.821 -5.761 7.612 1.00 0.00 H new ATOM 0 HZ PHE B 6 0.202 -5.575 6.241 1.00 0.00 H new ATOM 98 N PRO B 7 0.431 1.060 9.960 1.00 0.00 N ATOM 99 CA PRO B 7 1.556 1.885 9.604 1.00 0.00 C ATOM 100 C PRO B 7 2.820 1.065 9.397 1.00 0.00 C ATOM 101 O PRO B 7 3.207 0.235 10.224 1.00 0.00 O ATOM 102 CB PRO B 7 1.716 2.839 10.777 1.00 0.00 C ATOM 103 CG PRO B 7 1.112 2.138 11.946 1.00 0.00 C ATOM 104 CD PRO B 7 0.094 1.171 11.400 1.00 0.00 C ATOM 0 HA PRO B 7 1.390 2.404 8.660 1.00 0.00 H new ATOM 0 HB2 PRO B 7 2.767 3.068 10.956 1.00 0.00 H new ATOM 0 HB3 PRO B 7 1.212 3.786 10.584 1.00 0.00 H new ATOM 0 HG2 PRO B 7 1.876 1.612 12.518 1.00 0.00 H new ATOM 0 HG3 PRO B 7 0.642 2.851 12.623 1.00 0.00 H new ATOM 0 HD2 PRO B 7 0.156 0.204 11.899 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -0.922 1.539 11.544 1.00 0.00 H new ATOM 112 N VAL B 8 3.442 1.303 8.303 1.00 0.00 N ATOM 113 CA VAL B 8 4.636 0.621 7.922 1.00 0.00 C ATOM 114 C VAL B 8 5.757 1.632 7.845 1.00 0.00 C ATOM 115 O VAL B 8 5.618 2.655 7.195 1.00 0.00 O ATOM 116 CB VAL B 8 4.449 -0.088 6.559 1.00 0.00 C ATOM 117 CG1 VAL B 8 5.724 -0.766 6.113 1.00 0.00 C ATOM 118 CG2 VAL B 8 3.346 -1.120 6.674 1.00 0.00 C ATOM 0 H VAL B 8 3.131 1.997 7.623 1.00 0.00 H new ATOM 0 HA VAL B 8 4.876 -0.144 8.660 1.00 0.00 H new ATOM 0 HB VAL B 8 4.184 0.665 5.817 1.00 0.00 H new ATOM 0 HG11 VAL B 8 5.560 -1.255 5.153 1.00 0.00 H new ATOM 0 HG12 VAL B 8 6.515 -0.023 6.011 1.00 0.00 H new ATOM 0 HG13 VAL B 8 6.018 -1.510 6.853 1.00 0.00 H new ATOM 0 HG21 VAL B 8 3.214 -1.620 5.714 1.00 0.00 H new ATOM 0 HG22 VAL B 8 3.614 -1.856 7.432 1.00 0.00 H new ATOM 0 HG23 VAL B 8 2.416 -0.628 6.958 1.00 0.00 H new ATOM 128 N GLU B 9 6.827 1.376 8.534 1.00 0.00 N ATOM 129 CA GLU B 9 7.942 2.280 8.557 1.00 0.00 C ATOM 130 C GLU B 9 9.163 1.551 8.043 1.00 0.00 C ATOM 131 O GLU B 9 9.450 0.450 8.483 1.00 0.00 O ATOM 132 CB GLU B 9 8.155 2.778 9.991 1.00 0.00 C ATOM 133 CG GLU B 9 9.251 3.814 10.165 1.00 0.00 C ATOM 134 CD GLU B 9 9.365 4.266 11.596 1.00 0.00 C ATOM 135 OE1 GLU B 9 10.095 3.632 12.374 1.00 0.00 O ATOM 136 OE2 GLU B 9 8.717 5.246 11.974 1.00 0.00 O ATOM 0 H GLU B 9 6.954 0.535 9.097 1.00 0.00 H new ATOM 0 HA GLU B 9 7.755 3.145 7.920 1.00 0.00 H new ATOM 0 HB2 GLU B 9 7.218 3.201 10.354 1.00 0.00 H new ATOM 0 HB3 GLU B 9 8.384 1.921 10.625 1.00 0.00 H new ATOM 0 HG2 GLU B 9 10.203 3.396 9.838 1.00 0.00 H new ATOM 0 HG3 GLU B 9 9.045 4.673 9.527 1.00 0.00 H new ATOM 143 N LEU B 10 9.842 2.130 7.095 1.00 0.00 N ATOM 144 CA LEU B 10 11.027 1.517 6.539 1.00 0.00 C ATOM 145 C LEU B 10 12.229 2.378 6.851 1.00 0.00 C ATOM 146 O LEU B 10 12.188 3.220 7.748 1.00 0.00 O ATOM 147 CB LEU B 10 10.899 1.375 5.019 1.00 0.00 C ATOM 148 CG LEU B 10 11.126 -0.039 4.463 1.00 0.00 C ATOM 149 CD1 LEU B 10 11.078 -0.020 2.956 1.00 0.00 C ATOM 150 CD2 LEU B 10 12.440 -0.664 4.939 1.00 0.00 C ATOM 0 H LEU B 10 9.598 3.031 6.685 1.00 0.00 H new ATOM 0 HA LEU B 10 11.146 0.527 6.980 1.00 0.00 H new ATOM 0 HB2 LEU B 10 9.904 1.707 4.724 1.00 0.00 H new ATOM 0 HB3 LEU B 10 11.613 2.050 4.548 1.00 0.00 H new ATOM 0 HG LEU B 10 10.320 -0.662 4.851 1.00 0.00 H new ATOM 0 HD11 LEU B 10 11.240 -1.028 2.574 1.00 0.00 H new ATOM 0 HD12 LEU B 10 10.103 0.340 2.628 1.00 0.00 H new ATOM 0 HD13 LEU B 10 11.856 0.642 2.576 1.00 0.00 H new ATOM 0 HD21 LEU B 10 12.544 -1.662 4.513 1.00 0.00 H new ATOM 0 HD22 LEU B 10 13.276 -0.043 4.617 1.00 0.00 H new ATOM 0 HD23 LEU B 10 12.437 -0.732 6.027 1.00 0.00 H new ATOM 162 N GLU B 11 13.268 2.135 6.126 1.00 0.00 N ATOM 163 CA GLU B 11 14.504 2.844 6.160 1.00 0.00 C ATOM 164 C GLU B 11 15.152 2.618 4.824 1.00 0.00 C ATOM 165 O GLU B 11 14.690 1.756 4.053 1.00 0.00 O ATOM 166 CB GLU B 11 15.425 2.343 7.281 1.00 0.00 C ATOM 167 CG GLU B 11 15.590 3.326 8.435 1.00 0.00 C ATOM 168 CD GLU B 11 16.158 4.665 7.989 1.00 0.00 C ATOM 169 OE1 GLU B 11 16.815 4.732 6.918 1.00 0.00 O ATOM 170 OE2 GLU B 11 15.994 5.664 8.705 1.00 0.00 O ATOM 0 H GLU B 11 13.277 1.378 5.442 1.00 0.00 H new ATOM 0 HA GLU B 11 14.326 3.901 6.359 1.00 0.00 H new ATOM 0 HB2 GLU B 11 15.029 1.405 7.670 1.00 0.00 H new ATOM 0 HB3 GLU B 11 16.407 2.125 6.860 1.00 0.00 H new ATOM 0 HG2 GLU B 11 14.623 3.487 8.911 1.00 0.00 H new ATOM 0 HG3 GLU B 11 16.247 2.890 9.187 1.00 0.00 H new ATOM 177 N LYS B 12 16.170 3.357 4.522 1.00 0.00 N ATOM 178 CA LYS B 12 16.832 3.199 3.266 1.00 0.00 C ATOM 179 C LYS B 12 18.005 2.226 3.374 1.00 0.00 C ATOM 180 O LYS B 12 18.223 1.597 4.414 1.00 0.00 O ATOM 181 CB LYS B 12 17.305 4.545 2.734 1.00 0.00 C ATOM 182 CG LYS B 12 18.378 5.232 3.574 1.00 0.00 C ATOM 183 CD LYS B 12 18.950 6.437 2.848 1.00 0.00 C ATOM 184 CE LYS B 12 17.881 7.464 2.525 1.00 0.00 C ATOM 185 NZ LYS B 12 18.433 8.619 1.802 1.00 0.00 N ATOM 0 H LYS B 12 16.562 4.077 5.128 1.00 0.00 H new ATOM 0 HA LYS B 12 16.112 2.780 2.563 1.00 0.00 H new ATOM 0 HB2 LYS B 12 17.691 4.404 1.724 1.00 0.00 H new ATOM 0 HB3 LYS B 12 16.445 5.210 2.656 1.00 0.00 H new ATOM 0 HG2 LYS B 12 17.953 5.546 4.527 1.00 0.00 H new ATOM 0 HG3 LYS B 12 19.177 4.525 3.798 1.00 0.00 H new ATOM 0 HD2 LYS B 12 19.722 6.898 3.463 1.00 0.00 H new ATOM 0 HD3 LYS B 12 19.430 6.111 1.925 1.00 0.00 H new ATOM 0 HE2 LYS B 12 17.100 6.999 1.924 1.00 0.00 H new ATOM 0 HE3 LYS B 12 17.413 7.804 3.449 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 17.672 9.298 1.600 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 19.161 9.079 2.386 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 18.858 8.299 0.908 1.00 0.00 H new ATOM 199 N ASP B 13 18.743 2.136 2.307 1.00 0.00 N ATOM 200 CA ASP B 13 19.913 1.295 2.186 1.00 0.00 C ATOM 201 C ASP B 13 21.016 2.195 1.680 1.00 0.00 C ATOM 202 O ASP B 13 20.730 3.341 1.304 1.00 0.00 O ATOM 203 CB ASP B 13 19.640 0.153 1.165 1.00 0.00 C ATOM 204 CG ASP B 13 20.848 -0.710 0.853 1.00 0.00 C ATOM 205 OD1 ASP B 13 21.196 -1.585 1.649 1.00 0.00 O ATOM 206 OD2 ASP B 13 21.490 -0.479 -0.189 1.00 0.00 O ATOM 0 H ASP B 13 18.544 2.666 1.458 1.00 0.00 H new ATOM 0 HA ASP B 13 20.179 0.831 3.136 1.00 0.00 H new ATOM 0 HB2 ASP B 13 18.845 -0.483 1.554 1.00 0.00 H new ATOM 0 HB3 ASP B 13 19.273 0.592 0.237 1.00 0.00 H new ATOM 211 N SER B 14 22.224 1.697 1.640 1.00 0.00 N ATOM 212 CA SER B 14 23.362 2.436 1.145 1.00 0.00 C ATOM 213 C SER B 14 23.130 2.791 -0.344 1.00 0.00 C ATOM 214 O SER B 14 23.590 3.823 -0.830 1.00 0.00 O ATOM 215 CB SER B 14 24.641 1.602 1.338 1.00 0.00 C ATOM 216 OG SER B 14 25.817 2.336 1.012 1.00 0.00 O ATOM 0 H SER B 14 22.451 0.754 1.954 1.00 0.00 H new ATOM 0 HA SER B 14 23.482 3.365 1.702 1.00 0.00 H new ATOM 0 HB2 SER B 14 24.700 1.265 2.373 1.00 0.00 H new ATOM 0 HB3 SER B 14 24.588 0.709 0.715 1.00 0.00 H new ATOM 0 HG SER B 14 26.605 1.770 1.150 1.00 0.00 H new ATOM 222 N GLU B 15 22.405 1.927 -1.045 1.00 0.00 N ATOM 223 CA GLU B 15 21.987 2.189 -2.404 1.00 0.00 C ATOM 224 C GLU B 15 20.623 2.855 -2.345 1.00 0.00 C ATOM 225 O GLU B 15 20.406 3.922 -2.914 1.00 0.00 O ATOM 226 CB GLU B 15 21.901 0.880 -3.198 1.00 0.00 C ATOM 227 CG GLU B 15 21.480 1.037 -4.654 1.00 0.00 C ATOM 228 CD GLU B 15 21.397 -0.290 -5.370 1.00 0.00 C ATOM 229 OE1 GLU B 15 22.454 -0.816 -5.793 1.00 0.00 O ATOM 230 OE2 GLU B 15 20.277 -0.833 -5.520 1.00 0.00 O ATOM 0 H GLU B 15 22.094 1.027 -0.681 1.00 0.00 H new ATOM 0 HA GLU B 15 22.708 2.836 -2.904 1.00 0.00 H new ATOM 0 HB2 GLU B 15 22.874 0.389 -3.168 1.00 0.00 H new ATOM 0 HB3 GLU B 15 21.194 0.216 -2.700 1.00 0.00 H new ATOM 0 HG2 GLU B 15 20.511 1.533 -4.699 1.00 0.00 H new ATOM 0 HG3 GLU B 15 22.192 1.682 -5.169 1.00 0.00 H new ATOM 237 N GLY B 16 19.721 2.222 -1.626 1.00 0.00 N ATOM 238 CA GLY B 16 18.409 2.759 -1.452 1.00 0.00 C ATOM 239 C GLY B 16 17.339 1.768 -1.832 1.00 0.00 C ATOM 240 O GLY B 16 17.445 1.100 -2.870 1.00 0.00 O ATOM 0 H GLY B 16 19.883 1.332 -1.155 1.00 0.00 H new ATOM 0 HA2 GLY B 16 18.274 3.057 -0.412 1.00 0.00 H new ATOM 0 HA3 GLY B 16 18.302 3.659 -2.058 1.00 0.00 H new ATOM 244 N LEU B 17 16.331 1.641 -0.959 1.00 0.00 N ATOM 245 CA LEU B 17 15.164 0.780 -1.189 1.00 0.00 C ATOM 246 C LEU B 17 15.517 -0.703 -1.283 1.00 0.00 C ATOM 247 O LEU B 17 16.599 -1.134 -0.869 1.00 0.00 O ATOM 248 CB LEU B 17 14.310 1.261 -2.406 1.00 0.00 C ATOM 249 CG LEU B 17 13.454 2.549 -2.218 1.00 0.00 C ATOM 250 CD1 LEU B 17 12.500 2.414 -1.039 1.00 0.00 C ATOM 251 CD2 LEU B 17 14.308 3.810 -2.085 1.00 0.00 C ATOM 0 H LEU B 17 16.302 2.136 -0.068 1.00 0.00 H new ATOM 0 HA LEU B 17 14.541 0.880 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU B 17 14.984 1.425 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU B 17 13.639 0.449 -2.688 1.00 0.00 H new ATOM 0 HG LEU B 17 12.863 2.660 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU B 17 11.918 3.330 -0.935 1.00 0.00 H new ATOM 0 HD12 LEU B 17 11.827 1.573 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU B 17 13.071 2.242 -0.127 1.00 0.00 H new ATOM 0 HD21 LEU B 17 13.660 4.677 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU B 17 14.964 3.716 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU B 17 14.910 3.938 -2.984 1.00 0.00 H new ATOM 263 N GLY B 18 14.555 -1.474 -1.714 1.00 0.00 N ATOM 264 CA GLY B 18 14.722 -2.895 -1.883 1.00 0.00 C ATOM 265 C GLY B 18 13.408 -3.533 -2.229 1.00 0.00 C ATOM 266 O GLY B 18 12.986 -4.459 -1.576 1.00 0.00 O ATOM 0 H GLY B 18 13.626 -1.132 -1.960 1.00 0.00 H new ATOM 0 HA2 GLY B 18 15.449 -3.092 -2.671 1.00 0.00 H new ATOM 0 HA3 GLY B 18 15.118 -3.334 -0.967 1.00 0.00 H new ATOM 270 N ILE B 19 12.783 -3.023 -3.269 1.00 0.00 N ATOM 271 CA ILE B 19 11.428 -3.398 -3.710 1.00 0.00 C ATOM 272 C ILE B 19 11.203 -2.850 -5.080 1.00 0.00 C ATOM 273 O ILE B 19 12.057 -2.168 -5.652 1.00 0.00 O ATOM 274 CB ILE B 19 10.304 -2.771 -2.801 1.00 0.00 C ATOM 275 CG1 ILE B 19 10.601 -1.287 -2.466 1.00 0.00 C ATOM 276 CG2 ILE B 19 9.995 -3.597 -1.570 1.00 0.00 C ATOM 277 CD1 ILE B 19 9.573 -0.628 -1.565 1.00 0.00 C ATOM 0 H ILE B 19 13.207 -2.309 -3.861 1.00 0.00 H new ATOM 0 HA ILE B 19 11.369 -4.485 -3.666 1.00 0.00 H new ATOM 0 HB ILE B 19 9.388 -2.789 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE B 19 11.578 -1.224 -1.988 1.00 0.00 H new ATOM 0 HG13 ILE B 19 10.665 -0.723 -3.397 1.00 0.00 H new ATOM 0 HG21 ILE B 19 9.213 -3.107 -0.990 1.00 0.00 H new ATOM 0 HG22 ILE B 19 9.656 -4.588 -1.872 1.00 0.00 H new ATOM 0 HG23 ILE B 19 10.894 -3.691 -0.960 1.00 0.00 H new ATOM 0 HD11 ILE B 19 9.860 0.408 -1.383 1.00 0.00 H new ATOM 0 HD12 ILE B 19 8.596 -0.655 -2.048 1.00 0.00 H new ATOM 0 HD13 ILE B 19 9.524 -1.163 -0.617 1.00 0.00 H new ATOM 289 N SER B 20 10.078 -3.152 -5.587 1.00 0.00 N ATOM 290 CA SER B 20 9.599 -2.644 -6.827 1.00 0.00 C ATOM 291 C SER B 20 8.105 -2.653 -6.712 1.00 0.00 C ATOM 292 O SER B 20 7.557 -3.540 -6.053 1.00 0.00 O ATOM 293 CB SER B 20 10.045 -3.534 -7.985 1.00 0.00 C ATOM 294 OG SER B 20 11.466 -3.665 -8.014 1.00 0.00 O ATOM 0 H SER B 20 9.424 -3.791 -5.135 1.00 0.00 H new ATOM 0 HA SER B 20 9.988 -1.646 -7.027 1.00 0.00 H new ATOM 0 HB2 SER B 20 9.588 -4.519 -7.888 1.00 0.00 H new ATOM 0 HB3 SER B 20 9.696 -3.112 -8.927 1.00 0.00 H new ATOM 0 HG SER B 20 11.726 -4.241 -8.763 1.00 0.00 H new ATOM 300 N ILE B 21 7.453 -1.701 -7.286 1.00 0.00 N ATOM 301 CA ILE B 21 6.016 -1.618 -7.193 1.00 0.00 C ATOM 302 C ILE B 21 5.391 -1.901 -8.535 1.00 0.00 C ATOM 303 O ILE B 21 6.072 -1.864 -9.552 1.00 0.00 O ATOM 304 CB ILE B 21 5.562 -0.259 -6.632 1.00 0.00 C ATOM 305 CG1 ILE B 21 6.219 0.901 -7.402 1.00 0.00 C ATOM 306 CG2 ILE B 21 5.853 -0.177 -5.132 1.00 0.00 C ATOM 307 CD1 ILE B 21 5.866 2.270 -6.874 1.00 0.00 C ATOM 0 H ILE B 21 7.887 -0.957 -7.832 1.00 0.00 H new ATOM 0 HA ILE B 21 5.675 -2.378 -6.490 1.00 0.00 H new ATOM 0 HB ILE B 21 4.484 -0.169 -6.769 1.00 0.00 H new ATOM 0 HG12 ILE B 21 7.302 0.778 -7.368 1.00 0.00 H new ATOM 0 HG13 ILE B 21 5.924 0.840 -8.450 1.00 0.00 H new ATOM 0 HG21 ILE B 21 5.526 0.790 -4.750 1.00 0.00 H new ATOM 0 HG22 ILE B 21 5.317 -0.972 -4.613 1.00 0.00 H new ATOM 0 HG23 ILE B 21 6.924 -0.291 -4.962 1.00 0.00 H new ATOM 0 HD11 ILE B 21 6.369 3.031 -7.471 1.00 0.00 H new ATOM 0 HD12 ILE B 21 4.787 2.416 -6.934 1.00 0.00 H new ATOM 0 HD13 ILE B 21 6.186 2.353 -5.835 1.00 0.00 H new ATOM 319 N ILE B 22 4.140 -2.240 -8.543 1.00 0.00 N ATOM 320 CA ILE B 22 3.470 -2.562 -9.773 1.00 0.00 C ATOM 321 C ILE B 22 2.077 -1.961 -9.783 1.00 0.00 C ATOM 322 O ILE B 22 1.380 -1.954 -8.761 1.00 0.00 O ATOM 323 CB ILE B 22 3.413 -4.115 -10.009 1.00 0.00 C ATOM 324 CG1 ILE B 22 2.779 -4.475 -11.364 1.00 0.00 C ATOM 325 CG2 ILE B 22 2.698 -4.844 -8.871 1.00 0.00 C ATOM 326 CD1 ILE B 22 3.578 -4.009 -12.563 1.00 0.00 C ATOM 0 H ILE B 22 3.556 -2.302 -7.709 1.00 0.00 H new ATOM 0 HA ILE B 22 4.043 -2.130 -10.594 1.00 0.00 H new ATOM 0 HB ILE B 22 4.448 -4.455 -10.026 1.00 0.00 H new ATOM 0 HG12 ILE B 22 2.657 -5.557 -11.420 1.00 0.00 H new ATOM 0 HG13 ILE B 22 1.781 -4.039 -11.414 1.00 0.00 H new ATOM 0 HG21 ILE B 22 2.683 -5.914 -9.077 1.00 0.00 H new ATOM 0 HG22 ILE B 22 3.225 -4.662 -7.935 1.00 0.00 H new ATOM 0 HG23 ILE B 22 1.675 -4.476 -8.789 1.00 0.00 H new ATOM 0 HD11 ILE B 22 3.064 -4.302 -13.479 1.00 0.00 H new ATOM 0 HD12 ILE B 22 3.678 -2.924 -12.534 1.00 0.00 H new ATOM 0 HD13 ILE B 22 4.568 -4.466 -12.541 1.00 0.00 H new ATOM 338 N GLY B 23 1.698 -1.418 -10.909 1.00 0.00 N ATOM 339 CA GLY B 23 0.391 -0.873 -11.046 1.00 0.00 C ATOM 340 C GLY B 23 -0.587 -1.934 -11.437 1.00 0.00 C ATOM 341 O GLY B 23 -0.652 -2.312 -12.605 1.00 0.00 O ATOM 0 H GLY B 23 2.283 -1.345 -11.741 1.00 0.00 H new ATOM 0 HA2 GLY B 23 0.082 -0.416 -10.106 1.00 0.00 H new ATOM 0 HA3 GLY B 23 0.398 -0.083 -11.797 1.00 0.00 H new ATOM 345 N MET B 24 -1.306 -2.446 -10.474 1.00 0.00 N ATOM 346 CA MET B 24 -2.297 -3.460 -10.740 1.00 0.00 C ATOM 347 C MET B 24 -3.624 -2.797 -10.978 1.00 0.00 C ATOM 348 O MET B 24 -3.860 -1.672 -10.515 1.00 0.00 O ATOM 349 CB MET B 24 -2.432 -4.459 -9.579 1.00 0.00 C ATOM 350 CG MET B 24 -1.192 -5.300 -9.301 1.00 0.00 C ATOM 351 SD MET B 24 -1.432 -6.490 -7.949 1.00 0.00 S ATOM 352 CE MET B 24 -2.769 -7.500 -8.603 1.00 0.00 C ATOM 0 H MET B 24 -1.225 -2.178 -9.493 1.00 0.00 H new ATOM 0 HA MET B 24 -1.977 -4.017 -11.620 1.00 0.00 H new ATOM 0 HB2 MET B 24 -2.688 -3.908 -8.674 1.00 0.00 H new ATOM 0 HB3 MET B 24 -3.266 -5.128 -9.791 1.00 0.00 H new ATOM 0 HG2 MET B 24 -0.914 -5.839 -10.207 1.00 0.00 H new ATOM 0 HG3 MET B 24 -0.360 -4.641 -9.054 1.00 0.00 H new ATOM 0 HE1 MET B 24 -2.791 -8.456 -8.081 1.00 0.00 H new ATOM 0 HE2 MET B 24 -3.719 -6.985 -8.458 1.00 0.00 H new ATOM 0 HE3 MET B 24 -2.608 -7.672 -9.667 1.00 0.00 H new ATOM 362 N GLY B 25 -4.485 -3.480 -11.657 1.00 0.00 N ATOM 363 CA GLY B 25 -5.749 -2.981 -11.938 1.00 0.00 C ATOM 364 C GLY B 25 -6.723 -3.853 -11.269 1.00 0.00 C ATOM 365 O GLY B 25 -6.331 -4.907 -10.725 1.00 0.00 O ATOM 0 H GLY B 25 -4.307 -4.413 -12.029 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -5.845 -1.955 -11.583 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -5.925 -2.963 -13.014 1.00 0.00 H new ATOM 369 N ALA B 26 -7.948 -3.462 -11.312 1.00 0.00 N ATOM 370 CA ALA B 26 -9.025 -4.158 -10.675 1.00 0.00 C ATOM 371 C ALA B 26 -8.871 -4.148 -9.156 1.00 0.00 C ATOM 372 O ALA B 26 -8.486 -5.149 -8.521 1.00 0.00 O ATOM 373 CB ALA B 26 -9.276 -5.557 -11.248 1.00 0.00 C ATOM 0 H ALA B 26 -8.244 -2.621 -11.807 1.00 0.00 H new ATOM 0 HA ALA B 26 -9.934 -3.604 -10.907 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -10.105 -6.024 -10.717 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -9.522 -5.478 -12.307 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -8.380 -6.166 -11.128 1.00 0.00 H new ATOM 379 N GLY B 27 -9.116 -3.000 -8.586 1.00 0.00 N ATOM 380 CA GLY B 27 -8.982 -2.825 -7.175 1.00 0.00 C ATOM 381 C GLY B 27 -10.214 -2.229 -6.592 1.00 0.00 C ATOM 382 O GLY B 27 -10.183 -1.136 -6.034 1.00 0.00 O ATOM 0 H GLY B 27 -9.413 -2.164 -9.090 1.00 0.00 H new ATOM 0 HA2 GLY B 27 -8.781 -3.787 -6.703 1.00 0.00 H new ATOM 0 HA3 GLY B 27 -8.128 -2.182 -6.964 1.00 0.00 H new ATOM 386 N ALA B 28 -11.304 -2.933 -6.736 1.00 0.00 N ATOM 387 CA ALA B 28 -12.570 -2.492 -6.204 1.00 0.00 C ATOM 388 C ALA B 28 -12.646 -2.825 -4.739 1.00 0.00 C ATOM 389 O ALA B 28 -13.281 -3.787 -4.327 1.00 0.00 O ATOM 390 CB ALA B 28 -13.737 -3.087 -6.960 1.00 0.00 C ATOM 0 H ALA B 28 -11.342 -3.828 -7.224 1.00 0.00 H new ATOM 0 HA ALA B 28 -12.635 -1.411 -6.328 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -14.671 -2.729 -6.527 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -13.684 -2.787 -8.007 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -13.698 -4.174 -6.892 1.00 0.00 H new ATOM 396 N ASP B 29 -11.939 -2.056 -3.975 1.00 0.00 N ATOM 397 CA ASP B 29 -11.795 -2.211 -2.571 1.00 0.00 C ATOM 398 C ASP B 29 -12.875 -1.445 -1.854 1.00 0.00 C ATOM 399 O ASP B 29 -13.081 -1.615 -0.655 1.00 0.00 O ATOM 400 CB ASP B 29 -10.447 -1.622 -2.199 1.00 0.00 C ATOM 401 CG ASP B 29 -10.406 -0.101 -2.356 1.00 0.00 C ATOM 402 OD1 ASP B 29 -10.766 0.416 -3.442 1.00 0.00 O ATOM 403 OD2 ASP B 29 -10.061 0.593 -1.384 1.00 0.00 O ATOM 0 H ASP B 29 -11.418 -1.258 -4.340 1.00 0.00 H new ATOM 0 HA ASP B 29 -11.868 -3.262 -2.292 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -10.213 -1.883 -1.167 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -9.674 -2.069 -2.824 1.00 0.00 H new ATOM 408 N MET B 30 -13.579 -0.653 -2.628 1.00 0.00 N ATOM 409 CA MET B 30 -14.563 0.293 -2.161 1.00 0.00 C ATOM 410 C MET B 30 -13.882 1.398 -1.388 1.00 0.00 C ATOM 411 O MET B 30 -13.847 1.413 -0.146 1.00 0.00 O ATOM 412 CB MET B 30 -15.677 -0.329 -1.382 1.00 0.00 C ATOM 413 CG MET B 30 -16.449 -1.410 -2.133 1.00 0.00 C ATOM 414 SD MET B 30 -17.770 -2.153 -1.144 1.00 0.00 S ATOM 415 CE MET B 30 -18.409 -3.369 -2.303 1.00 0.00 C ATOM 0 H MET B 30 -13.477 -0.651 -3.643 1.00 0.00 H new ATOM 0 HA MET B 30 -15.045 0.716 -3.042 1.00 0.00 H new ATOM 0 HB2 MET B 30 -15.268 -0.761 -0.469 1.00 0.00 H new ATOM 0 HB3 MET B 30 -16.373 0.453 -1.080 1.00 0.00 H new ATOM 0 HG2 MET B 30 -16.878 -0.980 -3.038 1.00 0.00 H new ATOM 0 HG3 MET B 30 -15.756 -2.190 -2.449 1.00 0.00 H new ATOM 0 HE1 MET B 30 -19.233 -3.914 -1.842 1.00 0.00 H new ATOM 0 HE2 MET B 30 -18.766 -2.864 -3.201 1.00 0.00 H new ATOM 0 HE3 MET B 30 -17.617 -4.068 -2.571 1.00 0.00 H new ATOM 425 N GLY B 31 -13.227 2.243 -2.145 1.00 0.00 N ATOM 426 CA GLY B 31 -12.503 3.368 -1.620 1.00 0.00 C ATOM 427 C GLY B 31 -11.643 3.964 -2.705 1.00 0.00 C ATOM 428 O GLY B 31 -11.820 5.123 -3.095 1.00 0.00 O ATOM 0 H GLY B 31 -13.183 2.165 -3.161 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -13.199 4.116 -1.240 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -11.882 3.055 -0.780 1.00 0.00 H new ATOM 432 N LEU B 32 -10.750 3.162 -3.230 1.00 0.00 N ATOM 433 CA LEU B 32 -9.902 3.572 -4.333 1.00 0.00 C ATOM 434 C LEU B 32 -10.607 3.254 -5.624 1.00 0.00 C ATOM 435 O LEU B 32 -10.799 4.142 -6.473 1.00 0.00 O ATOM 436 CB LEU B 32 -8.516 2.880 -4.305 1.00 0.00 C ATOM 437 CG LEU B 32 -7.472 3.395 -3.291 1.00 0.00 C ATOM 438 CD1 LEU B 32 -7.936 3.260 -1.854 1.00 0.00 C ATOM 439 CD2 LEU B 32 -6.140 2.694 -3.494 1.00 0.00 C ATOM 0 H LEU B 32 -10.587 2.208 -2.909 1.00 0.00 H new ATOM 0 HA LEU B 32 -9.721 4.643 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -8.676 1.819 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -8.082 2.960 -5.302 1.00 0.00 H new ATOM 0 HG LEU B 32 -7.345 4.461 -3.481 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -7.163 3.637 -1.185 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -8.851 3.835 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -8.128 2.211 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -5.417 3.070 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -6.269 1.621 -3.354 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -5.777 2.887 -4.503 1.00 0.00 H new ATOM 451 N GLU B 33 -11.023 1.977 -5.748 1.00 0.00 N ATOM 452 CA GLU B 33 -11.755 1.446 -6.900 1.00 0.00 C ATOM 453 C GLU B 33 -11.026 1.705 -8.218 1.00 0.00 C ATOM 454 O GLU B 33 -11.632 1.772 -9.290 1.00 0.00 O ATOM 455 CB GLU B 33 -13.121 2.054 -6.904 1.00 0.00 C ATOM 456 CG GLU B 33 -13.970 1.656 -5.723 1.00 0.00 C ATOM 457 CD GLU B 33 -15.304 2.318 -5.756 1.00 0.00 C ATOM 458 OE1 GLU B 33 -15.424 3.457 -5.266 1.00 0.00 O ATOM 459 OE2 GLU B 33 -16.254 1.723 -6.282 1.00 0.00 O ATOM 0 H GLU B 33 -10.851 1.275 -5.028 1.00 0.00 H new ATOM 0 HA GLU B 33 -11.828 0.362 -6.809 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -13.025 3.140 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -13.634 1.765 -7.821 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -14.101 0.574 -5.717 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -13.455 1.920 -4.799 1.00 0.00 H new ATOM 466 N LYS B 34 -9.731 1.767 -8.130 1.00 0.00 N ATOM 467 CA LYS B 34 -8.872 2.087 -9.240 1.00 0.00 C ATOM 468 C LYS B 34 -7.585 1.343 -9.094 1.00 0.00 C ATOM 469 O LYS B 34 -7.496 0.411 -8.288 1.00 0.00 O ATOM 470 CB LYS B 34 -8.608 3.616 -9.327 1.00 0.00 C ATOM 471 CG LYS B 34 -9.818 4.444 -9.751 1.00 0.00 C ATOM 472 CD LYS B 34 -9.473 5.898 -9.978 1.00 0.00 C ATOM 473 CE LYS B 34 -9.204 6.606 -8.675 1.00 0.00 C ATOM 474 NZ LYS B 34 -10.409 6.708 -7.835 1.00 0.00 N ATOM 0 H LYS B 34 -9.225 1.592 -7.262 1.00 0.00 H new ATOM 0 HA LYS B 34 -9.366 1.787 -10.164 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -8.265 3.969 -8.354 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -7.797 3.792 -10.034 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -10.238 4.026 -10.666 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -10.590 4.372 -8.985 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -8.596 5.970 -10.621 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -10.293 6.391 -10.500 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -8.427 6.072 -8.128 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -8.821 7.606 -8.880 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -10.281 7.467 -7.136 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -11.232 6.923 -8.433 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -10.566 5.806 -7.342 1.00 0.00 H new ATOM 488 N LEU B 35 -6.631 1.722 -9.914 1.00 0.00 N ATOM 489 CA LEU B 35 -5.280 1.176 -9.911 1.00 0.00 C ATOM 490 C LEU B 35 -4.707 1.123 -8.512 1.00 0.00 C ATOM 491 O LEU B 35 -4.722 2.127 -7.771 1.00 0.00 O ATOM 492 CB LEU B 35 -4.355 2.048 -10.744 1.00 0.00 C ATOM 493 CG LEU B 35 -4.748 2.300 -12.187 1.00 0.00 C ATOM 494 CD1 LEU B 35 -3.732 3.222 -12.824 1.00 0.00 C ATOM 495 CD2 LEU B 35 -4.852 0.991 -12.961 1.00 0.00 C ATOM 0 H LEU B 35 -6.771 2.440 -10.625 1.00 0.00 H new ATOM 0 HA LEU B 35 -5.346 0.169 -10.324 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -4.263 3.013 -10.246 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -3.366 1.591 -10.739 1.00 0.00 H new ATOM 0 HG LEU B 35 -5.730 2.773 -12.213 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -4.009 3.407 -13.862 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -3.707 4.167 -12.281 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -2.747 2.757 -12.789 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -5.135 1.200 -13.993 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -3.889 0.481 -12.945 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -5.607 0.354 -12.499 1.00 0.00 H new ATOM 507 N GLY B 36 -4.198 -0.013 -8.172 1.00 0.00 N ATOM 508 CA GLY B 36 -3.587 -0.194 -6.912 1.00 0.00 C ATOM 509 C GLY B 36 -2.132 -0.433 -7.112 1.00 0.00 C ATOM 510 O GLY B 36 -1.746 -1.341 -7.864 1.00 0.00 O ATOM 0 H GLY B 36 -4.197 -0.841 -8.767 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -3.742 0.686 -6.288 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -4.040 -1.038 -6.391 1.00 0.00 H new ATOM 514 N ILE B 37 -1.308 0.371 -6.504 1.00 0.00 N ATOM 515 CA ILE B 37 0.101 0.191 -6.673 1.00 0.00 C ATOM 516 C ILE B 37 0.626 -0.677 -5.541 1.00 0.00 C ATOM 517 O ILE B 37 0.966 -0.197 -4.448 1.00 0.00 O ATOM 518 CB ILE B 37 0.894 1.529 -6.774 1.00 0.00 C ATOM 519 CG1 ILE B 37 0.220 2.517 -7.760 1.00 0.00 C ATOM 520 CG2 ILE B 37 2.325 1.253 -7.217 1.00 0.00 C ATOM 521 CD1 ILE B 37 -0.063 1.952 -9.136 1.00 0.00 C ATOM 0 H ILE B 37 -1.582 1.144 -5.898 1.00 0.00 H new ATOM 0 HA ILE B 37 0.258 -0.305 -7.631 1.00 0.00 H new ATOM 0 HB ILE B 37 0.899 1.990 -5.786 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -0.718 2.859 -7.324 1.00 0.00 H new ATOM 0 HG13 ILE B 37 0.860 3.393 -7.868 1.00 0.00 H new ATOM 0 HG21 ILE B 37 2.872 2.193 -7.285 1.00 0.00 H new ATOM 0 HG22 ILE B 37 2.811 0.602 -6.491 1.00 0.00 H new ATOM 0 HG23 ILE B 37 2.317 0.767 -8.192 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -0.534 2.717 -9.753 1.00 0.00 H new ATOM 0 HD12 ILE B 37 0.872 1.637 -9.599 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -0.731 1.095 -9.047 1.00 0.00 H new ATOM 533 N PHE B 38 0.595 -1.957 -5.784 1.00 0.00 N ATOM 534 CA PHE B 38 1.015 -2.944 -4.829 1.00 0.00 C ATOM 535 C PHE B 38 2.494 -3.204 -5.022 1.00 0.00 C ATOM 536 O PHE B 38 3.094 -2.740 -6.009 1.00 0.00 O ATOM 537 CB PHE B 38 0.255 -4.263 -5.058 1.00 0.00 C ATOM 538 CG PHE B 38 -1.237 -4.192 -4.871 1.00 0.00 C ATOM 539 CD1 PHE B 38 -2.060 -3.765 -5.894 1.00 0.00 C ATOM 540 CD2 PHE B 38 -1.815 -4.574 -3.677 1.00 0.00 C ATOM 541 CE1 PHE B 38 -3.426 -3.713 -5.733 1.00 0.00 C ATOM 542 CE2 PHE B 38 -3.185 -4.524 -3.507 1.00 0.00 C ATOM 543 CZ PHE B 38 -3.989 -4.091 -4.539 1.00 0.00 C ATOM 0 H PHE B 38 0.271 -2.351 -6.667 1.00 0.00 H new ATOM 0 HA PHE B 38 0.811 -2.579 -3.822 1.00 0.00 H new ATOM 0 HB2 PHE B 38 0.461 -4.609 -6.071 1.00 0.00 H new ATOM 0 HB3 PHE B 38 0.654 -5.015 -4.377 1.00 0.00 H new ATOM 0 HD1 PHE B 38 -1.625 -3.467 -6.836 1.00 0.00 H new ATOM 0 HD2 PHE B 38 -1.189 -4.916 -2.866 1.00 0.00 H new ATOM 0 HE1 PHE B 38 -4.054 -3.375 -6.544 1.00 0.00 H new ATOM 0 HE2 PHE B 38 -3.625 -4.824 -2.567 1.00 0.00 H new ATOM 0 HZ PHE B 38 -5.060 -4.049 -4.409 1.00 0.00 H new ATOM 553 N VAL B 39 3.085 -3.914 -4.109 1.00 0.00 N ATOM 554 CA VAL B 39 4.460 -4.302 -4.244 1.00 0.00 C ATOM 555 C VAL B 39 4.579 -5.435 -5.266 1.00 0.00 C ATOM 556 O VAL B 39 3.768 -6.377 -5.283 1.00 0.00 O ATOM 557 CB VAL B 39 5.071 -4.699 -2.873 1.00 0.00 C ATOM 558 CG1 VAL B 39 6.531 -5.095 -3.008 1.00 0.00 C ATOM 559 CG2 VAL B 39 4.922 -3.548 -1.886 1.00 0.00 C ATOM 0 H VAL B 39 2.633 -4.240 -3.254 1.00 0.00 H new ATOM 0 HA VAL B 39 5.032 -3.449 -4.608 1.00 0.00 H new ATOM 0 HB VAL B 39 4.528 -5.567 -2.498 1.00 0.00 H new ATOM 0 HG11 VAL B 39 6.926 -5.367 -2.029 1.00 0.00 H new ATOM 0 HG12 VAL B 39 6.616 -5.947 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL B 39 7.100 -4.256 -3.409 1.00 0.00 H new ATOM 0 HG21 VAL B 39 5.353 -3.834 -0.926 1.00 0.00 H new ATOM 0 HG22 VAL B 39 5.441 -2.670 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL B 39 3.865 -3.316 -1.755 1.00 0.00 H new ATOM 569 N LYS B 40 5.548 -5.304 -6.138 1.00 0.00 N ATOM 570 CA LYS B 40 5.794 -6.261 -7.179 1.00 0.00 C ATOM 571 C LYS B 40 6.811 -7.260 -6.691 1.00 0.00 C ATOM 572 O LYS B 40 6.649 -8.463 -6.856 1.00 0.00 O ATOM 573 CB LYS B 40 6.336 -5.564 -8.415 1.00 0.00 C ATOM 574 CG LYS B 40 6.248 -6.417 -9.655 1.00 0.00 C ATOM 575 CD LYS B 40 6.820 -5.723 -10.876 1.00 0.00 C ATOM 576 CE LYS B 40 8.343 -5.655 -10.843 1.00 0.00 C ATOM 577 NZ LYS B 40 8.887 -4.987 -12.044 1.00 0.00 N ATOM 0 H LYS B 40 6.196 -4.516 -6.141 1.00 0.00 H new ATOM 0 HA LYS B 40 4.861 -6.763 -7.434 1.00 0.00 H new ATOM 0 HB2 LYS B 40 5.783 -4.639 -8.576 1.00 0.00 H new ATOM 0 HB3 LYS B 40 7.376 -5.287 -8.243 1.00 0.00 H new ATOM 0 HG2 LYS B 40 6.783 -7.352 -9.488 1.00 0.00 H new ATOM 0 HG3 LYS B 40 5.206 -6.675 -9.842 1.00 0.00 H new ATOM 0 HD2 LYS B 40 6.502 -6.252 -11.774 1.00 0.00 H new ATOM 0 HD3 LYS B 40 6.415 -4.713 -10.940 1.00 0.00 H new ATOM 0 HE2 LYS B 40 8.664 -5.117 -9.951 1.00 0.00 H new ATOM 0 HE3 LYS B 40 8.751 -6.663 -10.771 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 9.925 -4.960 -11.986 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 8.602 -5.514 -12.894 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 8.518 -4.016 -12.099 1.00 0.00 H new ATOM 591 N THR B 41 7.856 -6.754 -6.085 1.00 0.00 N ATOM 592 CA THR B 41 8.875 -7.582 -5.547 1.00 0.00 C ATOM 593 C THR B 41 9.564 -6.829 -4.445 1.00 0.00 C ATOM 594 O THR B 41 9.367 -5.616 -4.294 1.00 0.00 O ATOM 595 CB THR B 41 9.911 -8.043 -6.620 1.00 0.00 C ATOM 596 OG1 THR B 41 10.575 -9.227 -6.160 1.00 0.00 O ATOM 597 CG2 THR B 41 10.973 -6.982 -6.897 1.00 0.00 C ATOM 0 H THR B 41 8.013 -5.754 -5.957 1.00 0.00 H new ATOM 0 HA THR B 41 8.410 -8.490 -5.164 1.00 0.00 H new ATOM 0 HB THR B 41 9.359 -8.226 -7.542 1.00 0.00 H new ATOM 0 HG1 THR B 41 11.225 -9.520 -6.833 1.00 0.00 H new ATOM 0 HG21 THR B 41 11.669 -7.352 -7.650 1.00 0.00 H new ATOM 0 HG22 THR B 41 10.493 -6.073 -7.261 1.00 0.00 H new ATOM 0 HG23 THR B 41 11.516 -6.762 -5.978 1.00 0.00 H new ATOM 605 N VAL B 42 10.359 -7.526 -3.726 1.00 0.00 N ATOM 606 CA VAL B 42 11.097 -7.014 -2.640 1.00 0.00 C ATOM 607 C VAL B 42 12.478 -7.644 -2.668 1.00 0.00 C ATOM 608 O VAL B 42 12.671 -8.813 -2.331 1.00 0.00 O ATOM 609 CB VAL B 42 10.325 -7.189 -1.302 1.00 0.00 C ATOM 610 CG1 VAL B 42 9.789 -8.568 -1.183 1.00 0.00 C ATOM 611 CG2 VAL B 42 11.167 -6.822 -0.111 1.00 0.00 C ATOM 0 H VAL B 42 10.520 -8.520 -3.889 1.00 0.00 H new ATOM 0 HA VAL B 42 11.231 -5.936 -2.727 1.00 0.00 H new ATOM 0 HB VAL B 42 9.484 -6.496 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL B 42 9.252 -8.670 -0.240 1.00 0.00 H new ATOM 0 HG12 VAL B 42 9.108 -8.767 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL B 42 10.612 -9.282 -1.211 1.00 0.00 H new ATOM 0 HG21 VAL B 42 10.587 -6.960 0.801 1.00 0.00 H new ATOM 0 HG22 VAL B 42 12.050 -7.460 -0.079 1.00 0.00 H new ATOM 0 HG23 VAL B 42 11.475 -5.780 -0.191 1.00 0.00 H new ATOM 621 N THR B 43 13.395 -6.879 -3.192 1.00 0.00 N ATOM 622 CA THR B 43 14.751 -7.281 -3.424 1.00 0.00 C ATOM 623 C THR B 43 15.458 -7.658 -2.117 1.00 0.00 C ATOM 624 O THR B 43 15.535 -6.846 -1.184 1.00 0.00 O ATOM 625 CB THR B 43 15.492 -6.123 -4.100 1.00 0.00 C ATOM 626 OG1 THR B 43 14.675 -5.613 -5.174 1.00 0.00 O ATOM 627 CG2 THR B 43 16.820 -6.589 -4.660 1.00 0.00 C ATOM 0 H THR B 43 13.208 -5.919 -3.480 1.00 0.00 H new ATOM 0 HA THR B 43 14.752 -8.163 -4.064 1.00 0.00 H new ATOM 0 HB THR B 43 15.682 -5.344 -3.362 1.00 0.00 H new ATOM 0 HG1 THR B 43 15.139 -4.870 -5.613 1.00 0.00 H new ATOM 0 HG21 THR B 43 17.329 -5.750 -5.135 1.00 0.00 H new ATOM 0 HG22 THR B 43 17.439 -6.978 -3.852 1.00 0.00 H new ATOM 0 HG23 THR B 43 16.649 -7.374 -5.396 1.00 0.00 H new ATOM 635 N GLU B 44 15.995 -8.871 -2.075 1.00 0.00 N ATOM 636 CA GLU B 44 16.662 -9.405 -0.889 1.00 0.00 C ATOM 637 C GLU B 44 17.989 -8.700 -0.617 1.00 0.00 C ATOM 638 O GLU B 44 18.503 -8.712 0.507 1.00 0.00 O ATOM 639 CB GLU B 44 16.831 -10.923 -0.997 1.00 0.00 C ATOM 640 CG GLU B 44 17.617 -11.389 -2.209 1.00 0.00 C ATOM 641 CD GLU B 44 17.669 -12.885 -2.312 1.00 0.00 C ATOM 642 OE1 GLU B 44 16.711 -13.489 -2.823 1.00 0.00 O ATOM 643 OE2 GLU B 44 18.661 -13.486 -1.876 1.00 0.00 O ATOM 0 H GLU B 44 15.981 -9.516 -2.865 1.00 0.00 H new ATOM 0 HA GLU B 44 16.023 -9.204 -0.029 1.00 0.00 H new ATOM 0 HB2 GLU B 44 17.329 -11.284 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU B 44 15.844 -11.384 -1.022 1.00 0.00 H new ATOM 0 HG2 GLU B 44 17.164 -10.980 -3.112 1.00 0.00 H new ATOM 0 HG3 GLU B 44 18.632 -10.995 -2.155 1.00 0.00 H new ATOM 650 N GLY B 45 18.528 -8.080 -1.644 1.00 0.00 N ATOM 651 CA GLY B 45 19.722 -7.294 -1.501 1.00 0.00 C ATOM 652 C GLY B 45 19.406 -5.858 -1.119 1.00 0.00 C ATOM 653 O GLY B 45 20.300 -5.021 -1.038 1.00 0.00 O ATOM 0 H GLY B 45 18.151 -8.109 -2.591 1.00 0.00 H new ATOM 0 HA2 GLY B 45 20.363 -7.740 -0.741 1.00 0.00 H new ATOM 0 HA3 GLY B 45 20.281 -7.307 -2.437 1.00 0.00 H new ATOM 657 N GLY B 46 18.139 -5.574 -0.884 1.00 0.00 N ATOM 658 CA GLY B 46 17.743 -4.256 -0.513 1.00 0.00 C ATOM 659 C GLY B 46 17.225 -4.202 0.894 1.00 0.00 C ATOM 660 O GLY B 46 16.972 -5.241 1.518 1.00 0.00 O ATOM 0 H GLY B 46 17.376 -6.248 -0.947 1.00 0.00 H new ATOM 0 HA2 GLY B 46 18.592 -3.580 -0.613 1.00 0.00 H new ATOM 0 HA3 GLY B 46 16.972 -3.903 -1.197 1.00 0.00 H new ATOM 664 N ALA B 47 16.996 -3.004 1.355 1.00 0.00 N ATOM 665 CA ALA B 47 16.620 -2.750 2.748 1.00 0.00 C ATOM 666 C ALA B 47 15.278 -3.339 3.123 1.00 0.00 C ATOM 667 O ALA B 47 15.154 -3.924 4.171 1.00 0.00 O ATOM 668 CB ALA B 47 16.621 -1.261 3.061 1.00 0.00 C ATOM 0 H ALA B 47 17.061 -2.161 0.784 1.00 0.00 H new ATOM 0 HA ALA B 47 17.380 -3.252 3.348 1.00 0.00 H new ATOM 0 HB1 ALA B 47 16.338 -1.108 4.102 1.00 0.00 H new ATOM 0 HB2 ALA B 47 17.618 -0.855 2.893 1.00 0.00 H new ATOM 0 HB3 ALA B 47 15.908 -0.752 2.412 1.00 0.00 H new ATOM 674 N ALA B 48 14.295 -3.218 2.245 1.00 0.00 N ATOM 675 CA ALA B 48 12.925 -3.628 2.562 1.00 0.00 C ATOM 676 C ALA B 48 12.799 -5.103 2.943 1.00 0.00 C ATOM 677 O ALA B 48 12.069 -5.443 3.877 1.00 0.00 O ATOM 678 CB ALA B 48 11.973 -3.253 1.445 1.00 0.00 C ATOM 0 H ALA B 48 14.415 -2.840 1.305 1.00 0.00 H new ATOM 0 HA ALA B 48 12.640 -3.073 3.456 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.963 -3.569 1.706 1.00 0.00 H new ATOM 0 HB2 ALA B 48 11.989 -2.173 1.300 1.00 0.00 H new ATOM 0 HB3 ALA B 48 12.281 -3.747 0.523 1.00 0.00 H new ATOM 684 N HIS B 49 13.557 -5.955 2.271 1.00 0.00 N ATOM 685 CA HIS B 49 13.496 -7.393 2.508 1.00 0.00 C ATOM 686 C HIS B 49 14.218 -7.727 3.804 1.00 0.00 C ATOM 687 O HIS B 49 13.755 -8.544 4.601 1.00 0.00 O ATOM 688 CB HIS B 49 14.182 -8.122 1.356 1.00 0.00 C ATOM 689 CG HIS B 49 13.795 -9.570 1.175 1.00 0.00 C ATOM 690 ND1 HIS B 49 13.295 -10.068 -0.003 1.00 0.00 N ATOM 691 CD2 HIS B 49 13.899 -10.633 2.010 1.00 0.00 C ATOM 692 CE1 HIS B 49 13.114 -11.365 0.132 1.00 0.00 C ATOM 693 NE2 HIS B 49 13.464 -11.777 1.344 1.00 0.00 N ATOM 0 H HIS B 49 14.226 -5.676 1.553 1.00 0.00 H new ATOM 0 HA HIS B 49 12.454 -7.704 2.578 1.00 0.00 H new ATOM 0 HB2 HIS B 49 13.964 -7.588 0.431 1.00 0.00 H new ATOM 0 HB3 HIS B 49 15.260 -8.069 1.507 1.00 0.00 H new ATOM 0 HD1 HIS B 49 13.097 -9.524 -0.843 1.00 0.00 H new ATOM 0 HD2 HIS B 49 14.261 -10.599 3.027 1.00 0.00 H new ATOM 0 HE1 HIS B 49 12.730 -12.011 -0.644 1.00 0.00 H new ATOM 701 N ARG B 50 15.348 -7.069 3.999 1.00 0.00 N ATOM 702 CA ARG B 50 16.193 -7.283 5.162 1.00 0.00 C ATOM 703 C ARG B 50 15.485 -6.778 6.411 1.00 0.00 C ATOM 704 O ARG B 50 15.466 -7.454 7.449 1.00 0.00 O ATOM 705 CB ARG B 50 17.540 -6.575 4.955 1.00 0.00 C ATOM 706 CG ARG B 50 18.283 -7.071 3.716 1.00 0.00 C ATOM 707 CD ARG B 50 19.525 -6.247 3.403 1.00 0.00 C ATOM 708 NE ARG B 50 20.538 -6.305 4.459 1.00 0.00 N ATOM 709 CZ ARG B 50 21.784 -5.833 4.349 1.00 0.00 C ATOM 710 NH1 ARG B 50 22.210 -5.321 3.201 1.00 0.00 N ATOM 711 NH2 ARG B 50 22.609 -5.904 5.379 1.00 0.00 N ATOM 0 H ARG B 50 15.707 -6.367 3.352 1.00 0.00 H new ATOM 0 HA ARG B 50 16.385 -8.348 5.292 1.00 0.00 H new ATOM 0 HB2 ARG B 50 17.372 -5.502 4.867 1.00 0.00 H new ATOM 0 HB3 ARG B 50 18.165 -6.729 5.834 1.00 0.00 H new ATOM 0 HG2 ARG B 50 18.571 -8.112 3.863 1.00 0.00 H new ATOM 0 HG3 ARG B 50 17.610 -7.044 2.859 1.00 0.00 H new ATOM 0 HD2 ARG B 50 19.962 -6.601 2.469 1.00 0.00 H new ATOM 0 HD3 ARG B 50 19.234 -5.209 3.245 1.00 0.00 H new ATOM 0 HE ARG B 50 20.273 -6.738 5.344 1.00 0.00 H new ATOM 0 HH11 ARG B 50 21.585 -5.286 2.395 1.00 0.00 H new ATOM 0 HH12 ARG B 50 23.162 -4.963 3.124 1.00 0.00 H new ATOM 0 HH21 ARG B 50 22.295 -6.319 6.256 1.00 0.00 H new ATOM 0 HH22 ARG B 50 23.560 -5.544 5.297 1.00 0.00 H new ATOM 725 N ASP B 51 14.889 -5.603 6.286 1.00 0.00 N ATOM 726 CA ASP B 51 14.100 -4.983 7.341 1.00 0.00 C ATOM 727 C ASP B 51 12.889 -5.845 7.656 1.00 0.00 C ATOM 728 O ASP B 51 12.720 -6.311 8.783 1.00 0.00 O ATOM 729 CB ASP B 51 13.641 -3.609 6.884 1.00 0.00 C ATOM 730 CG ASP B 51 12.795 -2.906 7.906 1.00 0.00 C ATOM 731 OD1 ASP B 51 13.347 -2.257 8.825 1.00 0.00 O ATOM 732 OD2 ASP B 51 11.579 -2.983 7.803 1.00 0.00 O ATOM 0 H ASP B 51 14.940 -5.043 5.435 1.00 0.00 H new ATOM 0 HA ASP B 51 14.711 -4.886 8.238 1.00 0.00 H new ATOM 0 HB2 ASP B 51 14.514 -2.996 6.659 1.00 0.00 H new ATOM 0 HB3 ASP B 51 13.075 -3.710 5.958 1.00 0.00 H new ATOM 737 N GLY B 52 12.059 -6.069 6.664 1.00 0.00 N ATOM 738 CA GLY B 52 10.930 -6.940 6.846 1.00 0.00 C ATOM 739 C GLY B 52 9.588 -6.233 6.831 1.00 0.00 C ATOM 740 O GLY B 52 8.558 -6.895 6.704 1.00 0.00 O ATOM 0 H GLY B 52 12.146 -5.663 5.732 1.00 0.00 H new ATOM 0 HA2 GLY B 52 10.938 -7.696 6.060 1.00 0.00 H new ATOM 0 HA3 GLY B 52 11.040 -7.465 7.795 1.00 0.00 H new ATOM 744 N ARG B 53 9.582 -4.912 6.974 1.00 0.00 N ATOM 745 CA ARG B 53 8.327 -4.156 6.975 1.00 0.00 C ATOM 746 C ARG B 53 7.544 -4.241 5.662 1.00 0.00 C ATOM 747 O ARG B 53 6.354 -4.552 5.679 1.00 0.00 O ATOM 748 CB ARG B 53 8.534 -2.713 7.398 1.00 0.00 C ATOM 749 CG ARG B 53 8.649 -2.498 8.902 1.00 0.00 C ATOM 750 CD ARG B 53 7.348 -2.826 9.630 1.00 0.00 C ATOM 751 NE ARG B 53 7.392 -2.391 11.031 1.00 0.00 N ATOM 752 CZ ARG B 53 6.411 -2.547 11.936 1.00 0.00 C ATOM 753 NH1 ARG B 53 5.292 -3.220 11.630 1.00 0.00 N ATOM 754 NH2 ARG B 53 6.560 -2.054 13.154 1.00 0.00 N ATOM 0 H ARG B 53 10.421 -4.344 7.090 1.00 0.00 H new ATOM 0 HA ARG B 53 7.705 -4.646 7.724 1.00 0.00 H new ATOM 0 HB2 ARG B 53 9.439 -2.336 6.921 1.00 0.00 H new ATOM 0 HB3 ARG B 53 7.703 -2.116 7.022 1.00 0.00 H new ATOM 0 HG2 ARG B 53 9.452 -3.121 9.297 1.00 0.00 H new ATOM 0 HG3 ARG B 53 8.923 -1.462 9.100 1.00 0.00 H new ATOM 0 HD2 ARG B 53 6.514 -2.341 9.123 1.00 0.00 H new ATOM 0 HD3 ARG B 53 7.166 -3.900 9.587 1.00 0.00 H new ATOM 0 HE ARG B 53 8.245 -1.928 11.346 1.00 0.00 H new ATOM 0 HH11 ARG B 53 5.177 -3.622 10.700 1.00 0.00 H new ATOM 0 HH12 ARG B 53 4.556 -3.330 12.328 1.00 0.00 H new ATOM 0 HH21 ARG B 53 7.416 -1.558 13.402 1.00 0.00 H new ATOM 0 HH22 ARG B 53 5.819 -2.169 13.845 1.00 0.00 H new ATOM 768 N ILE B 54 8.176 -3.954 4.542 1.00 0.00 N ATOM 769 CA ILE B 54 7.475 -4.054 3.278 1.00 0.00 C ATOM 770 C ILE B 54 7.749 -5.406 2.640 1.00 0.00 C ATOM 771 O ILE B 54 8.903 -5.737 2.361 1.00 0.00 O ATOM 772 CB ILE B 54 7.845 -2.929 2.268 1.00 0.00 C ATOM 773 CG1 ILE B 54 7.424 -1.563 2.809 1.00 0.00 C ATOM 774 CG2 ILE B 54 7.182 -3.184 0.911 1.00 0.00 C ATOM 775 CD1 ILE B 54 7.646 -0.432 1.829 1.00 0.00 C ATOM 0 H ILE B 54 9.150 -3.657 4.479 1.00 0.00 H new ATOM 0 HA ILE B 54 6.416 -3.939 3.508 1.00 0.00 H new ATOM 0 HB ILE B 54 8.927 -2.934 2.134 1.00 0.00 H new ATOM 0 HG12 ILE B 54 6.369 -1.597 3.079 1.00 0.00 H new ATOM 0 HG13 ILE B 54 7.980 -1.356 3.723 1.00 0.00 H new ATOM 0 HG21 ILE B 54 7.452 -2.387 0.218 1.00 0.00 H new ATOM 0 HG22 ILE B 54 7.522 -4.141 0.514 1.00 0.00 H new ATOM 0 HG23 ILE B 54 6.099 -3.206 1.034 1.00 0.00 H new ATOM 0 HD11 ILE B 54 7.325 0.508 2.279 1.00 0.00 H new ATOM 0 HD12 ILE B 54 8.705 -0.371 1.577 1.00 0.00 H new ATOM 0 HD13 ILE B 54 7.068 -0.616 0.923 1.00 0.00 H new ATOM 787 N GLN B 55 6.716 -6.181 2.434 1.00 0.00 N ATOM 788 CA GLN B 55 6.847 -7.452 1.786 1.00 0.00 C ATOM 789 C GLN B 55 6.263 -7.381 0.389 1.00 0.00 C ATOM 790 O GLN B 55 5.717 -6.360 -0.023 1.00 0.00 O ATOM 791 CB GLN B 55 6.171 -8.563 2.595 1.00 0.00 C ATOM 792 CG GLN B 55 6.819 -8.826 3.939 1.00 0.00 C ATOM 793 CD GLN B 55 8.258 -9.289 3.800 1.00 0.00 C ATOM 794 OE1 GLN B 55 8.630 -9.931 2.811 1.00 0.00 O ATOM 795 NE2 GLN B 55 9.066 -8.974 4.765 1.00 0.00 N ATOM 0 H GLN B 55 5.763 -5.946 2.712 1.00 0.00 H new ATOM 0 HA GLN B 55 7.908 -7.693 1.718 1.00 0.00 H new ATOM 0 HB2 GLN B 55 5.125 -8.299 2.752 1.00 0.00 H new ATOM 0 HB3 GLN B 55 6.183 -9.483 2.011 1.00 0.00 H new ATOM 0 HG2 GLN B 55 6.788 -7.917 4.540 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.246 -9.582 4.475 1.00 0.00 H new ATOM 0 HE21 GLN B 55 8.722 -8.443 5.565 1.00 0.00 H new ATOM 0 HE22 GLN B 55 10.045 -9.257 4.723 1.00 0.00 H new ATOM 804 N VAL B 56 6.321 -8.485 -0.308 1.00 0.00 N ATOM 805 CA VAL B 56 5.913 -8.572 -1.702 1.00 0.00 C ATOM 806 C VAL B 56 4.369 -8.467 -1.895 1.00 0.00 C ATOM 807 O VAL B 56 3.880 -8.375 -3.011 1.00 0.00 O ATOM 808 CB VAL B 56 6.457 -9.899 -2.328 1.00 0.00 C ATOM 809 CG1 VAL B 56 5.822 -11.128 -1.689 1.00 0.00 C ATOM 810 CG2 VAL B 56 6.303 -9.919 -3.836 1.00 0.00 C ATOM 0 H VAL B 56 6.657 -9.368 0.075 1.00 0.00 H new ATOM 0 HA VAL B 56 6.344 -7.714 -2.219 1.00 0.00 H new ATOM 0 HB VAL B 56 7.525 -9.934 -2.112 1.00 0.00 H new ATOM 0 HG11 VAL B 56 6.226 -12.028 -2.151 1.00 0.00 H new ATOM 0 HG12 VAL B 56 6.042 -11.138 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL B 56 4.742 -11.098 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL B 56 6.693 -10.858 -4.229 1.00 0.00 H new ATOM 0 HG22 VAL B 56 5.248 -9.828 -4.095 1.00 0.00 H new ATOM 0 HG23 VAL B 56 6.857 -9.086 -4.269 1.00 0.00 H new ATOM 820 N ASN B 57 3.616 -8.427 -0.820 1.00 0.00 N ATOM 821 CA ASN B 57 2.151 -8.435 -0.963 1.00 0.00 C ATOM 822 C ASN B 57 1.536 -7.156 -0.424 1.00 0.00 C ATOM 823 O ASN B 57 0.316 -6.997 -0.410 1.00 0.00 O ATOM 824 CB ASN B 57 1.487 -9.684 -0.297 1.00 0.00 C ATOM 825 CG ASN B 57 1.252 -9.603 1.214 1.00 0.00 C ATOM 826 OD1 ASN B 57 0.243 -10.092 1.724 1.00 0.00 O ATOM 827 ND2 ASN B 57 2.197 -9.099 1.920 1.00 0.00 N ATOM 0 H ASN B 57 3.963 -8.390 0.138 1.00 0.00 H new ATOM 0 HA ASN B 57 1.950 -8.495 -2.033 1.00 0.00 H new ATOM 0 HB2 ASN B 57 0.528 -9.862 -0.783 1.00 0.00 H new ATOM 0 HB3 ASN B 57 2.113 -10.553 -0.500 1.00 0.00 H new ATOM 0 HD21 ASN B 57 2.127 -9.095 2.938 1.00 0.00 H new ATOM 0 HD22 ASN B 57 3.019 -8.702 1.464 1.00 0.00 H new ATOM 834 N ASP B 58 2.376 -6.246 -0.015 1.00 0.00 N ATOM 835 CA ASP B 58 1.921 -5.015 0.602 1.00 0.00 C ATOM 836 C ASP B 58 1.442 -4.014 -0.438 1.00 0.00 C ATOM 837 O ASP B 58 1.710 -4.167 -1.636 1.00 0.00 O ATOM 838 CB ASP B 58 3.008 -4.423 1.515 1.00 0.00 C ATOM 839 CG ASP B 58 3.260 -5.285 2.743 1.00 0.00 C ATOM 840 OD1 ASP B 58 3.926 -6.335 2.632 1.00 0.00 O ATOM 841 OD2 ASP B 58 2.778 -4.945 3.832 1.00 0.00 O ATOM 0 H ASP B 58 3.389 -6.328 -0.096 1.00 0.00 H new ATOM 0 HA ASP B 58 1.062 -5.251 1.230 1.00 0.00 H new ATOM 0 HB2 ASP B 58 3.935 -4.317 0.951 1.00 0.00 H new ATOM 0 HB3 ASP B 58 2.710 -3.423 1.830 1.00 0.00 H new ATOM 846 N LEU B 59 0.725 -3.018 0.012 1.00 0.00 N ATOM 847 CA LEU B 59 0.130 -2.016 -0.853 1.00 0.00 C ATOM 848 C LEU B 59 0.316 -0.647 -0.270 1.00 0.00 C ATOM 849 O LEU B 59 -0.009 -0.420 0.896 1.00 0.00 O ATOM 850 CB LEU B 59 -1.367 -2.309 -1.035 1.00 0.00 C ATOM 851 CG LEU B 59 -2.244 -1.187 -1.629 1.00 0.00 C ATOM 852 CD1 LEU B 59 -1.898 -0.913 -3.079 1.00 0.00 C ATOM 853 CD2 LEU B 59 -3.718 -1.520 -1.477 1.00 0.00 C ATOM 0 H LEU B 59 0.531 -2.872 1.003 1.00 0.00 H new ATOM 0 HA LEU B 59 0.624 -2.052 -1.824 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -1.463 -3.186 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -1.778 -2.578 -0.062 1.00 0.00 H new ATOM 0 HG LEU B 59 -2.037 -0.276 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -2.537 -0.117 -3.461 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -0.854 -0.607 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -2.054 -1.817 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -4.318 -0.716 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -3.936 -2.451 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -3.959 -1.632 -0.420 1.00 0.00 H new ATOM 865 N LEU B 60 0.834 0.256 -1.064 1.00 0.00 N ATOM 866 CA LEU B 60 1.015 1.617 -0.630 1.00 0.00 C ATOM 867 C LEU B 60 -0.319 2.365 -0.725 1.00 0.00 C ATOM 868 O LEU B 60 -0.700 2.852 -1.785 1.00 0.00 O ATOM 869 CB LEU B 60 2.095 2.318 -1.469 1.00 0.00 C ATOM 870 CG LEU B 60 3.470 1.630 -1.534 1.00 0.00 C ATOM 871 CD1 LEU B 60 4.412 2.414 -2.426 1.00 0.00 C ATOM 872 CD2 LEU B 60 4.073 1.456 -0.140 1.00 0.00 C ATOM 0 H LEU B 60 1.139 0.071 -2.020 1.00 0.00 H new ATOM 0 HA LEU B 60 1.350 1.618 0.407 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.719 2.426 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU B 60 2.235 3.324 -1.073 1.00 0.00 H new ATOM 0 HG LEU B 60 3.327 0.637 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU B 60 5.380 1.914 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU B 60 3.997 2.472 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU B 60 4.538 3.420 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.044 0.967 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU B 60 4.197 2.433 0.327 1.00 0.00 H new ATOM 0 HD23 LEU B 60 3.409 0.844 0.470 1.00 0.00 H new ATOM 884 N VAL B 61 -1.051 2.362 0.371 1.00 0.00 N ATOM 885 CA VAL B 61 -2.334 3.053 0.472 1.00 0.00 C ATOM 886 C VAL B 61 -2.103 4.540 0.625 1.00 0.00 C ATOM 887 O VAL B 61 -2.796 5.366 0.052 1.00 0.00 O ATOM 888 CB VAL B 61 -3.137 2.504 1.675 1.00 0.00 C ATOM 889 CG1 VAL B 61 -4.316 3.387 2.025 1.00 0.00 C ATOM 890 CG2 VAL B 61 -3.598 1.102 1.378 1.00 0.00 C ATOM 0 H VAL B 61 -0.776 1.879 1.226 1.00 0.00 H new ATOM 0 HA VAL B 61 -2.909 2.879 -0.437 1.00 0.00 H new ATOM 0 HB VAL B 61 -2.477 2.496 2.542 1.00 0.00 H new ATOM 0 HG11 VAL B 61 -4.849 2.962 2.875 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -3.960 4.384 2.282 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -4.989 3.452 1.170 1.00 0.00 H new ATOM 0 HG21 VAL B 61 -4.163 0.717 2.227 1.00 0.00 H new ATOM 0 HG22 VAL B 61 -4.233 1.108 0.492 1.00 0.00 H new ATOM 0 HG23 VAL B 61 -2.732 0.464 1.200 1.00 0.00 H new ATOM 900 N GLU B 62 -1.159 4.856 1.420 1.00 0.00 N ATOM 901 CA GLU B 62 -0.728 6.201 1.605 1.00 0.00 C ATOM 902 C GLU B 62 0.702 6.207 2.051 1.00 0.00 C ATOM 903 O GLU B 62 1.151 5.271 2.722 1.00 0.00 O ATOM 904 CB GLU B 62 -1.608 6.944 2.619 1.00 0.00 C ATOM 905 CG GLU B 62 -1.770 6.230 3.944 1.00 0.00 C ATOM 906 CD GLU B 62 -2.508 7.052 4.955 1.00 0.00 C ATOM 907 OE1 GLU B 62 -3.750 7.175 4.869 1.00 0.00 O ATOM 908 OE2 GLU B 62 -1.860 7.619 5.852 1.00 0.00 O ATOM 0 H GLU B 62 -0.644 4.176 1.980 1.00 0.00 H new ATOM 0 HA GLU B 62 -0.818 6.725 0.653 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -1.180 7.930 2.801 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -2.594 7.101 2.181 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -2.303 5.293 3.785 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -0.786 5.974 4.337 1.00 0.00 H new ATOM 915 N VAL B 63 1.420 7.216 1.655 1.00 0.00 N ATOM 916 CA VAL B 63 2.769 7.404 2.105 1.00 0.00 C ATOM 917 C VAL B 63 2.649 8.416 3.257 1.00 0.00 C ATOM 918 O VAL B 63 1.521 8.763 3.632 1.00 0.00 O ATOM 919 CB VAL B 63 3.700 7.924 0.928 1.00 0.00 C ATOM 920 CG1 VAL B 63 3.501 9.380 0.605 1.00 0.00 C ATOM 921 CG2 VAL B 63 5.179 7.603 1.137 1.00 0.00 C ATOM 0 H VAL B 63 1.087 7.933 1.010 1.00 0.00 H new ATOM 0 HA VAL B 63 3.238 6.478 2.437 1.00 0.00 H new ATOM 0 HB VAL B 63 3.372 7.358 0.056 1.00 0.00 H new ATOM 0 HG11 VAL B 63 4.169 9.667 -0.207 1.00 0.00 H new ATOM 0 HG12 VAL B 63 2.468 9.547 0.302 1.00 0.00 H new ATOM 0 HG13 VAL B 63 3.723 9.982 1.486 1.00 0.00 H new ATOM 0 HG21 VAL B 63 5.757 7.987 0.296 1.00 0.00 H new ATOM 0 HG22 VAL B 63 5.526 8.070 2.059 1.00 0.00 H new ATOM 0 HG23 VAL B 63 5.311 6.523 1.205 1.00 0.00 H new ATOM 931 N ASP B 64 3.741 8.865 3.811 1.00 0.00 N ATOM 932 CA ASP B 64 3.716 9.815 4.920 1.00 0.00 C ATOM 933 C ASP B 64 2.945 11.091 4.582 1.00 0.00 C ATOM 934 O ASP B 64 2.158 11.582 5.383 1.00 0.00 O ATOM 935 CB ASP B 64 5.121 10.166 5.335 1.00 0.00 C ATOM 936 CG ASP B 64 5.172 11.193 6.434 1.00 0.00 C ATOM 937 OD1 ASP B 64 4.913 10.835 7.606 1.00 0.00 O ATOM 938 OD2 ASP B 64 5.499 12.352 6.157 1.00 0.00 O ATOM 0 H ASP B 64 4.678 8.591 3.517 1.00 0.00 H new ATOM 0 HA ASP B 64 3.195 9.327 5.744 1.00 0.00 H new ATOM 0 HB2 ASP B 64 5.632 9.262 5.666 1.00 0.00 H new ATOM 0 HB3 ASP B 64 5.666 10.542 4.469 1.00 0.00 H new ATOM 943 N GLY B 65 3.181 11.615 3.404 1.00 0.00 N ATOM 944 CA GLY B 65 2.481 12.812 2.980 1.00 0.00 C ATOM 945 C GLY B 65 1.368 12.535 1.971 1.00 0.00 C ATOM 946 O GLY B 65 0.188 12.740 2.262 1.00 0.00 O ATOM 0 H GLY B 65 3.844 11.240 2.726 1.00 0.00 H new ATOM 0 HA2 GLY B 65 2.055 13.305 3.854 1.00 0.00 H new ATOM 0 HA3 GLY B 65 3.197 13.506 2.540 1.00 0.00 H new ATOM 950 N THR B 66 1.742 12.094 0.784 1.00 0.00 N ATOM 951 CA THR B 66 0.793 11.829 -0.296 1.00 0.00 C ATOM 952 C THR B 66 -0.141 10.639 0.028 1.00 0.00 C ATOM 953 O THR B 66 0.314 9.557 0.424 1.00 0.00 O ATOM 954 CB THR B 66 1.554 11.530 -1.607 1.00 0.00 C ATOM 955 OG1 THR B 66 2.559 12.529 -1.798 1.00 0.00 O ATOM 956 CG2 THR B 66 0.608 11.546 -2.805 1.00 0.00 C ATOM 0 H THR B 66 2.713 11.907 0.535 1.00 0.00 H new ATOM 0 HA THR B 66 0.178 12.722 -0.410 1.00 0.00 H new ATOM 0 HB THR B 66 2.003 10.540 -1.530 1.00 0.00 H new ATOM 0 HG1 THR B 66 3.048 12.346 -2.627 1.00 0.00 H new ATOM 0 HG21 THR B 66 1.169 11.333 -3.715 1.00 0.00 H new ATOM 0 HG22 THR B 66 -0.164 10.789 -2.669 1.00 0.00 H new ATOM 0 HG23 THR B 66 0.142 12.528 -2.888 1.00 0.00 H new ATOM 964 N SER B 67 -1.418 10.847 -0.135 1.00 0.00 N ATOM 965 CA SER B 67 -2.396 9.815 0.070 1.00 0.00 C ATOM 966 C SER B 67 -2.700 9.169 -1.298 1.00 0.00 C ATOM 967 O SER B 67 -2.769 9.875 -2.323 1.00 0.00 O ATOM 968 CB SER B 67 -3.652 10.462 0.645 1.00 0.00 C ATOM 969 OG SER B 67 -3.312 11.396 1.680 1.00 0.00 O ATOM 0 H SER B 67 -1.812 11.745 -0.416 1.00 0.00 H new ATOM 0 HA SER B 67 -2.037 9.050 0.759 1.00 0.00 H new ATOM 0 HB2 SER B 67 -4.200 10.973 -0.147 1.00 0.00 H new ATOM 0 HB3 SER B 67 -4.313 9.693 1.045 1.00 0.00 H new ATOM 0 HG SER B 67 -4.130 11.802 2.036 1.00 0.00 H new ATOM 975 N LEU B 68 -2.844 7.862 -1.342 1.00 0.00 N ATOM 976 CA LEU B 68 -3.108 7.194 -2.592 1.00 0.00 C ATOM 977 C LEU B 68 -4.567 6.836 -2.727 1.00 0.00 C ATOM 978 O LEU B 68 -5.165 6.206 -1.848 1.00 0.00 O ATOM 979 CB LEU B 68 -2.210 5.950 -2.817 1.00 0.00 C ATOM 980 CG LEU B 68 -0.715 6.195 -3.103 1.00 0.00 C ATOM 981 CD1 LEU B 68 -0.544 7.191 -4.217 1.00 0.00 C ATOM 982 CD2 LEU B 68 0.052 6.629 -1.865 1.00 0.00 C ATOM 0 H LEU B 68 -2.783 7.247 -0.531 1.00 0.00 H new ATOM 0 HA LEU B 68 -2.854 7.908 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU B 68 -2.284 5.317 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU B 68 -2.624 5.383 -3.651 1.00 0.00 H new ATOM 0 HG LEU B 68 -0.290 5.241 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU B 68 0.518 7.350 -4.403 1.00 0.00 H new ATOM 0 HD12 LEU B 68 -1.018 6.810 -5.122 1.00 0.00 H new ATOM 0 HD13 LEU B 68 -1.008 8.136 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU B 68 1.099 6.788 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU B 68 -0.372 7.557 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU B 68 -0.020 5.854 -1.102 1.00 0.00 H new ATOM 994 N VAL B 69 -5.145 7.267 -3.812 1.00 0.00 N ATOM 995 CA VAL B 69 -6.524 6.985 -4.096 1.00 0.00 C ATOM 996 C VAL B 69 -6.628 6.312 -5.490 1.00 0.00 C ATOM 997 O VAL B 69 -7.711 6.090 -6.022 1.00 0.00 O ATOM 998 CB VAL B 69 -7.370 8.299 -4.018 1.00 0.00 C ATOM 999 CG1 VAL B 69 -7.039 9.270 -5.141 1.00 0.00 C ATOM 1000 CG2 VAL B 69 -8.864 8.018 -3.934 1.00 0.00 C ATOM 0 H VAL B 69 -4.674 7.824 -4.525 1.00 0.00 H new ATOM 0 HA VAL B 69 -6.927 6.297 -3.353 1.00 0.00 H new ATOM 0 HB VAL B 69 -7.087 8.789 -3.087 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -7.653 10.165 -5.041 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -5.986 9.545 -5.086 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -7.241 8.797 -6.102 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -9.409 8.960 -3.882 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -9.180 7.464 -4.818 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -9.074 7.428 -3.042 1.00 0.00 H new ATOM 1010 N GLY B 70 -5.474 5.948 -6.049 1.00 0.00 N ATOM 1011 CA GLY B 70 -5.446 5.362 -7.375 1.00 0.00 C ATOM 1012 C GLY B 70 -4.625 6.191 -8.316 1.00 0.00 C ATOM 1013 O GLY B 70 -5.133 7.103 -8.972 1.00 0.00 O ATOM 0 H GLY B 70 -4.561 6.049 -5.606 1.00 0.00 H new ATOM 0 HA2 GLY B 70 -5.035 4.354 -7.321 1.00 0.00 H new ATOM 0 HA3 GLY B 70 -6.463 5.272 -7.757 1.00 0.00 H new ATOM 1017 N VAL B 71 -3.360 5.912 -8.341 1.00 0.00 N ATOM 1018 CA VAL B 71 -2.412 6.640 -9.153 1.00 0.00 C ATOM 1019 C VAL B 71 -1.707 5.685 -10.097 1.00 0.00 C ATOM 1020 O VAL B 71 -1.990 4.490 -10.087 1.00 0.00 O ATOM 1021 CB VAL B 71 -1.363 7.319 -8.251 1.00 0.00 C ATOM 1022 CG1 VAL B 71 -2.068 8.218 -7.256 1.00 0.00 C ATOM 1023 CG2 VAL B 71 -0.487 6.282 -7.522 1.00 0.00 C ATOM 0 H VAL B 71 -2.941 5.161 -7.792 1.00 0.00 H new ATOM 0 HA VAL B 71 -2.947 7.397 -9.726 1.00 0.00 H new ATOM 0 HB VAL B 71 -0.700 7.916 -8.876 1.00 0.00 H new ATOM 0 HG11 VAL B 71 -1.330 8.701 -6.615 1.00 0.00 H new ATOM 0 HG12 VAL B 71 -2.636 8.978 -7.792 1.00 0.00 H new ATOM 0 HG13 VAL B 71 -2.746 7.623 -6.644 1.00 0.00 H new ATOM 0 HG21 VAL B 71 0.241 6.797 -6.895 1.00 0.00 H new ATOM 0 HG22 VAL B 71 -1.117 5.647 -6.899 1.00 0.00 H new ATOM 0 HG23 VAL B 71 0.036 5.667 -8.255 1.00 0.00 H new ATOM 1033 N THR B 72 -0.800 6.199 -10.889 1.00 0.00 N ATOM 1034 CA THR B 72 -0.009 5.377 -11.751 1.00 0.00 C ATOM 1035 C THR B 72 1.178 4.828 -10.955 1.00 0.00 C ATOM 1036 O THR B 72 1.503 5.348 -9.865 1.00 0.00 O ATOM 1037 CB THR B 72 0.497 6.195 -12.952 1.00 0.00 C ATOM 1038 OG1 THR B 72 1.129 7.390 -12.475 1.00 0.00 O ATOM 1039 CG2 THR B 72 -0.645 6.559 -13.886 1.00 0.00 C ATOM 0 H THR B 72 -0.594 7.196 -10.950 1.00 0.00 H new ATOM 0 HA THR B 72 -0.616 4.554 -12.128 1.00 0.00 H new ATOM 0 HB THR B 72 1.212 5.590 -13.509 1.00 0.00 H new ATOM 0 HG1 THR B 72 1.455 7.914 -13.236 1.00 0.00 H new ATOM 0 HG21 THR B 72 -0.258 7.137 -14.726 1.00 0.00 H new ATOM 0 HG22 THR B 72 -1.115 5.649 -14.258 1.00 0.00 H new ATOM 0 HG23 THR B 72 -1.382 7.153 -13.345 1.00 0.00 H new ATOM 1047 N GLN B 73 1.828 3.810 -11.481 1.00 0.00 N ATOM 1048 CA GLN B 73 2.960 3.181 -10.809 1.00 0.00 C ATOM 1049 C GLN B 73 4.085 4.195 -10.607 1.00 0.00 C ATOM 1050 O GLN B 73 4.678 4.284 -9.536 1.00 0.00 O ATOM 1051 CB GLN B 73 3.454 1.996 -11.637 1.00 0.00 C ATOM 1052 CG GLN B 73 4.627 1.248 -11.031 1.00 0.00 C ATOM 1053 CD GLN B 73 5.153 0.163 -11.952 1.00 0.00 C ATOM 1054 OE1 GLN B 73 4.401 -0.443 -12.726 1.00 0.00 O ATOM 1055 NE2 GLN B 73 6.439 -0.052 -11.929 1.00 0.00 N ATOM 0 H GLN B 73 1.593 3.393 -12.382 1.00 0.00 H new ATOM 0 HA GLN B 73 2.641 2.822 -9.830 1.00 0.00 H new ATOM 0 HB2 GLN B 73 2.628 1.298 -11.777 1.00 0.00 H new ATOM 0 HB3 GLN B 73 3.740 2.354 -12.626 1.00 0.00 H new ATOM 0 HG2 GLN B 73 5.428 1.952 -10.807 1.00 0.00 H new ATOM 0 HG3 GLN B 73 4.321 0.802 -10.085 1.00 0.00 H new ATOM 0 HE21 GLN B 73 7.031 0.465 -11.279 1.00 0.00 H new ATOM 0 HE22 GLN B 73 6.853 -0.737 -12.561 1.00 0.00 H new ATOM 1064 N SER B 74 4.302 4.997 -11.623 1.00 0.00 N ATOM 1065 CA SER B 74 5.359 5.987 -11.626 1.00 0.00 C ATOM 1066 C SER B 74 5.074 7.068 -10.588 1.00 0.00 C ATOM 1067 O SER B 74 5.993 7.562 -9.920 1.00 0.00 O ATOM 1068 CB SER B 74 5.471 6.617 -13.012 1.00 0.00 C ATOM 1069 OG SER B 74 6.639 7.408 -13.137 1.00 0.00 O ATOM 0 H SER B 74 3.747 4.982 -12.479 1.00 0.00 H new ATOM 0 HA SER B 74 6.300 5.498 -11.374 1.00 0.00 H new ATOM 0 HB2 SER B 74 5.481 5.832 -13.768 1.00 0.00 H new ATOM 0 HB3 SER B 74 4.592 7.233 -13.203 1.00 0.00 H new ATOM 0 HG SER B 74 6.678 7.794 -14.037 1.00 0.00 H new ATOM 1075 N PHE B 75 3.799 7.408 -10.434 1.00 0.00 N ATOM 1076 CA PHE B 75 3.380 8.422 -9.493 1.00 0.00 C ATOM 1077 C PHE B 75 3.738 7.986 -8.085 1.00 0.00 C ATOM 1078 O PHE B 75 4.396 8.719 -7.366 1.00 0.00 O ATOM 1079 CB PHE B 75 1.874 8.660 -9.607 1.00 0.00 C ATOM 1080 CG PHE B 75 1.334 9.773 -8.742 1.00 0.00 C ATOM 1081 CD1 PHE B 75 1.055 9.562 -7.405 1.00 0.00 C ATOM 1082 CD2 PHE B 75 1.091 11.010 -9.274 1.00 0.00 C ATOM 1083 CE1 PHE B 75 0.549 10.562 -6.617 1.00 0.00 C ATOM 1084 CE2 PHE B 75 0.578 12.028 -8.488 1.00 0.00 C ATOM 1085 CZ PHE B 75 0.305 11.801 -7.157 1.00 0.00 C ATOM 0 H PHE B 75 3.034 6.985 -10.960 1.00 0.00 H new ATOM 0 HA PHE B 75 3.894 9.356 -9.720 1.00 0.00 H new ATOM 0 HB2 PHE B 75 1.635 8.881 -10.647 1.00 0.00 H new ATOM 0 HB3 PHE B 75 1.355 7.737 -9.349 1.00 0.00 H new ATOM 0 HD1 PHE B 75 1.239 8.590 -6.973 1.00 0.00 H new ATOM 0 HD2 PHE B 75 1.301 11.194 -10.317 1.00 0.00 H new ATOM 0 HE1 PHE B 75 0.342 10.376 -5.573 1.00 0.00 H new ATOM 0 HE2 PHE B 75 0.392 13.001 -8.919 1.00 0.00 H new ATOM 0 HZ PHE B 75 -0.098 12.592 -6.542 1.00 0.00 H new ATOM 1095 N ALA B 76 3.328 6.781 -7.713 1.00 0.00 N ATOM 1096 CA ALA B 76 3.611 6.252 -6.382 1.00 0.00 C ATOM 1097 C ALA B 76 5.118 6.035 -6.203 1.00 0.00 C ATOM 1098 O ALA B 76 5.647 6.177 -5.115 1.00 0.00 O ATOM 1099 CB ALA B 76 2.855 4.956 -6.156 1.00 0.00 C ATOM 0 H ALA B 76 2.798 6.149 -8.313 1.00 0.00 H new ATOM 0 HA ALA B 76 3.277 6.978 -5.641 1.00 0.00 H new ATOM 0 HB1 ALA B 76 3.077 4.575 -5.159 1.00 0.00 H new ATOM 0 HB2 ALA B 76 1.784 5.139 -6.245 1.00 0.00 H new ATOM 0 HB3 ALA B 76 3.160 4.222 -6.902 1.00 0.00 H new ATOM 1105 N ALA B 77 5.808 5.716 -7.282 1.00 0.00 N ATOM 1106 CA ALA B 77 7.263 5.577 -7.235 1.00 0.00 C ATOM 1107 C ALA B 77 7.894 6.919 -6.878 1.00 0.00 C ATOM 1108 O ALA B 77 8.878 6.997 -6.143 1.00 0.00 O ATOM 1109 CB ALA B 77 7.796 5.085 -8.575 1.00 0.00 C ATOM 0 H ALA B 77 5.394 5.548 -8.199 1.00 0.00 H new ATOM 0 HA ALA B 77 7.524 4.843 -6.472 1.00 0.00 H new ATOM 0 HB1 ALA B 77 8.880 4.987 -8.522 1.00 0.00 H new ATOM 0 HB2 ALA B 77 7.355 4.116 -8.808 1.00 0.00 H new ATOM 0 HB3 ALA B 77 7.534 5.800 -9.355 1.00 0.00 H new ATOM 1115 N SER B 78 7.272 7.973 -7.353 1.00 0.00 N ATOM 1116 CA SER B 78 7.757 9.302 -7.151 1.00 0.00 C ATOM 1117 C SER B 78 7.309 9.884 -5.793 1.00 0.00 C ATOM 1118 O SER B 78 7.928 10.823 -5.298 1.00 0.00 O ATOM 1119 CB SER B 78 7.315 10.186 -8.318 1.00 0.00 C ATOM 1120 OG SER B 78 7.731 9.615 -9.560 1.00 0.00 O ATOM 0 H SER B 78 6.409 7.923 -7.894 1.00 0.00 H new ATOM 0 HA SER B 78 8.846 9.272 -7.122 1.00 0.00 H new ATOM 0 HB2 SER B 78 6.231 10.299 -8.307 1.00 0.00 H new ATOM 0 HB3 SER B 78 7.740 11.184 -8.208 1.00 0.00 H new ATOM 0 HG SER B 78 7.126 8.883 -9.802 1.00 0.00 H new ATOM 1126 N VAL B 79 6.285 9.285 -5.152 1.00 0.00 N ATOM 1127 CA VAL B 79 5.800 9.823 -3.873 1.00 0.00 C ATOM 1128 C VAL B 79 6.849 9.608 -2.801 1.00 0.00 C ATOM 1129 O VAL B 79 7.134 10.488 -1.998 1.00 0.00 O ATOM 1130 CB VAL B 79 4.399 9.262 -3.422 1.00 0.00 C ATOM 1131 CG1 VAL B 79 3.335 9.518 -4.450 1.00 0.00 C ATOM 1132 CG2 VAL B 79 4.413 7.804 -2.994 1.00 0.00 C ATOM 0 H VAL B 79 5.794 8.456 -5.488 1.00 0.00 H new ATOM 0 HA VAL B 79 5.636 10.890 -4.026 1.00 0.00 H new ATOM 0 HB VAL B 79 4.151 9.826 -2.523 1.00 0.00 H new ATOM 0 HG11 VAL B 79 2.385 9.115 -4.099 1.00 0.00 H new ATOM 0 HG12 VAL B 79 3.236 10.591 -4.612 1.00 0.00 H new ATOM 0 HG13 VAL B 79 3.610 9.034 -5.387 1.00 0.00 H new ATOM 0 HG21 VAL B 79 3.408 7.501 -2.700 1.00 0.00 H new ATOM 0 HG22 VAL B 79 4.750 7.184 -3.825 1.00 0.00 H new ATOM 0 HG23 VAL B 79 5.091 7.679 -2.150 1.00 0.00 H new ATOM 1142 N LEU B 80 7.473 8.455 -2.882 1.00 0.00 N ATOM 1143 CA LEU B 80 8.570 8.029 -2.017 1.00 0.00 C ATOM 1144 C LEU B 80 9.808 8.907 -2.232 1.00 0.00 C ATOM 1145 O LEU B 80 10.681 9.001 -1.373 1.00 0.00 O ATOM 1146 CB LEU B 80 8.907 6.593 -2.381 1.00 0.00 C ATOM 1147 CG LEU B 80 7.766 5.594 -2.234 1.00 0.00 C ATOM 1148 CD1 LEU B 80 8.057 4.348 -3.031 1.00 0.00 C ATOM 1149 CD2 LEU B 80 7.555 5.246 -0.780 1.00 0.00 C ATOM 0 H LEU B 80 7.226 7.753 -3.579 1.00 0.00 H new ATOM 0 HA LEU B 80 8.271 8.116 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU B 80 9.256 6.571 -3.414 1.00 0.00 H new ATOM 0 HB3 LEU B 80 9.738 6.264 -1.757 1.00 0.00 H new ATOM 0 HG LEU B 80 6.854 6.050 -2.618 1.00 0.00 H new ATOM 0 HD11 LEU B 80 7.234 3.643 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU B 80 8.170 4.607 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU B 80 8.978 3.892 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU B 80 6.737 4.531 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU B 80 8.466 4.806 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU B 80 7.310 6.149 -0.222 1.00 0.00 H new ATOM 1161 N ARG B 81 9.865 9.554 -3.377 1.00 0.00 N ATOM 1162 CA ARG B 81 10.997 10.386 -3.734 1.00 0.00 C ATOM 1163 C ARG B 81 10.746 11.831 -3.326 1.00 0.00 C ATOM 1164 O ARG B 81 11.661 12.657 -3.309 1.00 0.00 O ATOM 1165 CB ARG B 81 11.262 10.290 -5.234 1.00 0.00 C ATOM 1166 CG ARG B 81 11.581 8.877 -5.681 1.00 0.00 C ATOM 1167 CD ARG B 81 11.664 8.755 -7.195 1.00 0.00 C ATOM 1168 NE ARG B 81 11.731 7.345 -7.624 1.00 0.00 N ATOM 1169 CZ ARG B 81 11.249 6.865 -8.786 1.00 0.00 C ATOM 1170 NH1 ARG B 81 10.745 7.691 -9.690 1.00 0.00 N ATOM 1171 NH2 ARG B 81 11.284 5.560 -9.042 1.00 0.00 N ATOM 0 H ARG B 81 9.131 9.519 -4.085 1.00 0.00 H new ATOM 0 HA ARG B 81 11.878 10.030 -3.200 1.00 0.00 H new ATOM 0 HB2 ARG B 81 10.388 10.650 -5.777 1.00 0.00 H new ATOM 0 HB3 ARG B 81 12.093 10.946 -5.495 1.00 0.00 H new ATOM 0 HG2 ARG B 81 12.528 8.564 -5.241 1.00 0.00 H new ATOM 0 HG3 ARG B 81 10.815 8.198 -5.305 1.00 0.00 H new ATOM 0 HD2 ARG B 81 10.795 9.232 -7.647 1.00 0.00 H new ATOM 0 HD3 ARG B 81 12.544 9.288 -7.556 1.00 0.00 H new ATOM 0 HE ARG B 81 12.177 6.682 -6.991 1.00 0.00 H new ATOM 0 HH11 ARG B 81 10.721 8.694 -9.507 1.00 0.00 H new ATOM 0 HH12 ARG B 81 10.381 7.324 -10.569 1.00 0.00 H new ATOM 0 HH21 ARG B 81 11.678 4.916 -8.356 1.00 0.00 H new ATOM 0 HH22 ARG B 81 10.917 5.203 -9.924 1.00 0.00 H new ATOM 1185 N ASN B 82 9.498 12.136 -3.016 1.00 0.00 N ATOM 1186 CA ASN B 82 9.109 13.475 -2.600 1.00 0.00 C ATOM 1187 C ASN B 82 9.104 13.585 -1.092 1.00 0.00 C ATOM 1188 O ASN B 82 9.213 14.680 -0.534 1.00 0.00 O ATOM 1189 CB ASN B 82 7.741 13.875 -3.176 1.00 0.00 C ATOM 1190 CG ASN B 82 7.764 14.068 -4.686 1.00 0.00 C ATOM 1191 OD1 ASN B 82 8.791 14.441 -5.268 1.00 0.00 O ATOM 1192 ND2 ASN B 82 6.643 13.849 -5.332 1.00 0.00 N ATOM 0 H ASN B 82 8.728 11.467 -3.045 1.00 0.00 H new ATOM 0 HA ASN B 82 9.849 14.169 -2.998 1.00 0.00 H new ATOM 0 HB2 ASN B 82 7.009 13.108 -2.925 1.00 0.00 H new ATOM 0 HB3 ASN B 82 7.410 14.799 -2.702 1.00 0.00 H new ATOM 0 HD21 ASN B 82 6.601 13.986 -6.342 1.00 0.00 H new ATOM 0 HD22 ASN B 82 5.813 13.542 -4.824 1.00 0.00 H new ATOM 1199 N THR B 83 8.984 12.458 -0.438 1.00 0.00 N ATOM 1200 CA THR B 83 9.007 12.386 0.996 1.00 0.00 C ATOM 1201 C THR B 83 10.451 12.418 1.547 1.00 0.00 C ATOM 1202 O THR B 83 11.414 12.569 0.777 1.00 0.00 O ATOM 1203 CB THR B 83 8.280 11.110 1.441 1.00 0.00 C ATOM 1204 OG1 THR B 83 8.662 10.015 0.591 1.00 0.00 O ATOM 1205 CG2 THR B 83 6.770 11.297 1.403 1.00 0.00 C ATOM 0 H THR B 83 8.866 11.554 -0.895 1.00 0.00 H new ATOM 0 HA THR B 83 8.497 13.260 1.401 1.00 0.00 H new ATOM 0 HB THR B 83 8.567 10.891 2.470 1.00 0.00 H new ATOM 0 HG1 THR B 83 9.218 9.386 1.097 1.00 0.00 H new ATOM 0 HG21 THR B 83 6.281 10.377 1.723 1.00 0.00 H new ATOM 0 HG22 THR B 83 6.487 12.110 2.072 1.00 0.00 H new ATOM 0 HG23 THR B 83 6.459 11.538 0.387 1.00 0.00 H new ATOM 1213 N LYS B 84 10.588 12.301 2.874 1.00 0.00 N ATOM 1214 CA LYS B 84 11.887 12.274 3.554 1.00 0.00 C ATOM 1215 C LYS B 84 12.663 10.998 3.216 1.00 0.00 C ATOM 1216 O LYS B 84 12.257 10.215 2.352 1.00 0.00 O ATOM 1217 CB LYS B 84 11.624 12.290 5.039 1.00 0.00 C ATOM 1218 CG LYS B 84 10.750 13.432 5.463 1.00 0.00 C ATOM 1219 CD LYS B 84 11.523 14.708 5.693 1.00 0.00 C ATOM 1220 CE LYS B 84 10.580 15.809 6.139 1.00 0.00 C ATOM 1221 NZ LYS B 84 11.264 17.083 6.414 1.00 0.00 N ATOM 0 H LYS B 84 9.794 12.222 3.509 1.00 0.00 H new ATOM 0 HA LYS B 84 12.478 13.132 3.234 1.00 0.00 H new ATOM 0 HB2 LYS B 84 11.153 11.351 5.330 1.00 0.00 H new ATOM 0 HB3 LYS B 84 12.574 12.349 5.571 1.00 0.00 H new ATOM 0 HG2 LYS B 84 9.991 13.605 4.700 1.00 0.00 H new ATOM 0 HG3 LYS B 84 10.225 13.161 6.379 1.00 0.00 H new ATOM 0 HD2 LYS B 84 12.291 14.547 6.449 1.00 0.00 H new ATOM 0 HD3 LYS B 84 12.034 15.004 4.777 1.00 0.00 H new ATOM 0 HE2 LYS B 84 9.827 15.968 5.367 1.00 0.00 H new ATOM 0 HE3 LYS B 84 10.053 15.486 7.037 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 10.567 17.794 6.714 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 11.965 16.945 7.170 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 11.745 17.412 5.552 1.00 0.00 H new ATOM 1235 N GLY B 85 13.769 10.793 3.913 1.00 0.00 N ATOM 1236 CA GLY B 85 14.585 9.613 3.703 1.00 0.00 C ATOM 1237 C GLY B 85 13.919 8.386 4.272 1.00 0.00 C ATOM 1238 O GLY B 85 13.919 7.312 3.671 1.00 0.00 O ATOM 0 H GLY B 85 14.120 11.429 4.628 1.00 0.00 H new ATOM 0 HA2 GLY B 85 14.761 9.474 2.636 1.00 0.00 H new ATOM 0 HA3 GLY B 85 15.559 9.752 4.171 1.00 0.00 H new ATOM 1242 N ARG B 86 13.363 8.561 5.431 1.00 0.00 N ATOM 1243 CA ARG B 86 12.610 7.552 6.101 1.00 0.00 C ATOM 1244 C ARG B 86 11.229 8.095 6.350 1.00 0.00 C ATOM 1245 O ARG B 86 11.082 9.154 6.964 1.00 0.00 O ATOM 1246 CB ARG B 86 13.247 7.222 7.440 1.00 0.00 C ATOM 1247 CG ARG B 86 12.418 6.290 8.308 1.00 0.00 C ATOM 1248 CD ARG B 86 12.923 6.271 9.739 1.00 0.00 C ATOM 1249 NE ARG B 86 12.908 7.623 10.326 1.00 0.00 N ATOM 1250 CZ ARG B 86 12.747 7.922 11.619 1.00 0.00 C ATOM 1251 NH1 ARG B 86 12.565 6.961 12.521 1.00 0.00 N ATOM 1252 NH2 ARG B 86 12.757 9.199 11.999 1.00 0.00 N ATOM 0 H ARG B 86 13.424 9.437 5.950 1.00 0.00 H new ATOM 0 HA ARG B 86 12.579 6.650 5.490 1.00 0.00 H new ATOM 0 HB2 ARG B 86 14.222 6.767 7.264 1.00 0.00 H new ATOM 0 HB3 ARG B 86 13.422 8.149 7.985 1.00 0.00 H new ATOM 0 HG2 ARG B 86 11.375 6.607 8.293 1.00 0.00 H new ATOM 0 HG3 ARG B 86 12.450 5.282 7.896 1.00 0.00 H new ATOM 0 HD2 ARG B 86 12.302 5.604 10.338 1.00 0.00 H new ATOM 0 HD3 ARG B 86 13.937 5.871 9.765 1.00 0.00 H new ATOM 0 HE ARG B 86 13.032 8.406 9.684 1.00 0.00 H new ATOM 0 HH11 ARG B 86 12.547 5.984 12.229 1.00 0.00 H new ATOM 0 HH12 ARG B 86 12.443 7.201 13.505 1.00 0.00 H new ATOM 0 HH21 ARG B 86 12.887 9.936 11.306 1.00 0.00 H new ATOM 0 HH22 ARG B 86 12.635 9.439 12.983 1.00 0.00 H new ATOM 1266 N VAL B 87 10.239 7.401 5.887 1.00 0.00 N ATOM 1267 CA VAL B 87 8.868 7.792 6.094 1.00 0.00 C ATOM 1268 C VAL B 87 8.022 6.607 6.434 1.00 0.00 C ATOM 1269 O VAL B 87 8.446 5.449 6.274 1.00 0.00 O ATOM 1270 CB VAL B 87 8.234 8.578 4.905 1.00 0.00 C ATOM 1271 CG1 VAL B 87 8.755 9.996 4.872 1.00 0.00 C ATOM 1272 CG2 VAL B 87 8.524 7.882 3.578 1.00 0.00 C ATOM 0 H VAL B 87 10.352 6.541 5.351 1.00 0.00 H new ATOM 0 HA VAL B 87 8.893 8.486 6.934 1.00 0.00 H new ATOM 0 HB VAL B 87 7.154 8.603 5.053 1.00 0.00 H new ATOM 0 HG11 VAL B 87 8.303 10.530 4.037 1.00 0.00 H new ATOM 0 HG12 VAL B 87 8.501 10.499 5.805 1.00 0.00 H new ATOM 0 HG13 VAL B 87 9.838 9.983 4.751 1.00 0.00 H new ATOM 0 HG21 VAL B 87 8.072 8.448 2.764 1.00 0.00 H new ATOM 0 HG22 VAL B 87 9.602 7.824 3.425 1.00 0.00 H new ATOM 0 HG23 VAL B 87 8.106 6.876 3.596 1.00 0.00 H new ATOM 1282 N ARG B 88 6.859 6.893 6.917 1.00 0.00 N ATOM 1283 CA ARG B 88 5.912 5.901 7.299 1.00 0.00 C ATOM 1284 C ARG B 88 4.823 5.873 6.281 1.00 0.00 C ATOM 1285 O ARG B 88 4.533 6.880 5.668 1.00 0.00 O ATOM 1286 CB ARG B 88 5.365 6.245 8.669 1.00 0.00 C ATOM 1287 CG ARG B 88 6.460 6.302 9.700 1.00 0.00 C ATOM 1288 CD ARG B 88 6.007 6.892 11.014 1.00 0.00 C ATOM 1289 NE ARG B 88 4.935 6.126 11.661 1.00 0.00 N ATOM 1290 CZ ARG B 88 5.110 5.387 12.761 1.00 0.00 C ATOM 1291 NH1 ARG B 88 6.334 5.069 13.170 1.00 0.00 N ATOM 1292 NH2 ARG B 88 4.058 4.910 13.404 1.00 0.00 N ATOM 0 H ARG B 88 6.533 7.849 7.060 1.00 0.00 H new ATOM 0 HA ARG B 88 6.376 4.916 7.350 1.00 0.00 H new ATOM 0 HB2 ARG B 88 4.853 7.206 8.627 1.00 0.00 H new ATOM 0 HB3 ARG B 88 4.624 5.502 8.964 1.00 0.00 H new ATOM 0 HG2 ARG B 88 6.841 5.295 9.873 1.00 0.00 H new ATOM 0 HG3 ARG B 88 7.288 6.893 9.309 1.00 0.00 H new ATOM 0 HD2 ARG B 88 6.860 6.951 11.690 1.00 0.00 H new ATOM 0 HD3 ARG B 88 5.663 7.912 10.846 1.00 0.00 H new ATOM 0 HE ARG B 88 4.003 6.160 11.248 1.00 0.00 H new ATOM 0 HH11 ARG B 88 7.147 5.389 12.644 1.00 0.00 H new ATOM 0 HH12 ARG B 88 6.460 4.505 14.010 1.00 0.00 H new ATOM 0 HH21 ARG B 88 3.118 5.106 13.060 1.00 0.00 H new ATOM 0 HH22 ARG B 88 4.186 4.346 14.244 1.00 0.00 H new ATOM 1306 N PHE B 89 4.272 4.741 6.069 1.00 0.00 N ATOM 1307 CA PHE B 89 3.227 4.571 5.108 1.00 0.00 C ATOM 1308 C PHE B 89 2.107 3.842 5.801 1.00 0.00 C ATOM 1309 O PHE B 89 2.286 3.357 6.923 1.00 0.00 O ATOM 1310 CB PHE B 89 3.677 3.647 3.958 1.00 0.00 C ATOM 1311 CG PHE B 89 5.146 3.607 3.643 1.00 0.00 C ATOM 1312 CD1 PHE B 89 5.760 4.631 2.973 1.00 0.00 C ATOM 1313 CD2 PHE B 89 5.894 2.502 4.004 1.00 0.00 C ATOM 1314 CE1 PHE B 89 7.102 4.570 2.662 1.00 0.00 C ATOM 1315 CE2 PHE B 89 7.226 2.417 3.703 1.00 0.00 C ATOM 1316 CZ PHE B 89 7.843 3.455 3.026 1.00 0.00 C ATOM 0 H PHE B 89 4.530 3.885 6.560 1.00 0.00 H new ATOM 0 HA PHE B 89 2.945 5.548 4.716 1.00 0.00 H new ATOM 0 HB2 PHE B 89 3.354 2.633 4.194 1.00 0.00 H new ATOM 0 HB3 PHE B 89 3.146 3.949 3.055 1.00 0.00 H new ATOM 0 HD1 PHE B 89 5.185 5.499 2.684 1.00 0.00 H new ATOM 0 HD2 PHE B 89 5.418 1.690 4.534 1.00 0.00 H new ATOM 0 HE1 PHE B 89 7.574 5.387 2.137 1.00 0.00 H new ATOM 0 HE2 PHE B 89 7.793 1.545 3.992 1.00 0.00 H new ATOM 0 HZ PHE B 89 8.894 3.397 2.783 1.00 0.00 H new ATOM 1326 N MET B 90 0.984 3.752 5.169 1.00 0.00 N ATOM 1327 CA MET B 90 -0.054 2.883 5.643 1.00 0.00 C ATOM 1328 C MET B 90 -0.383 1.897 4.588 1.00 0.00 C ATOM 1329 O MET B 90 -0.658 2.252 3.435 1.00 0.00 O ATOM 1330 CB MET B 90 -1.300 3.584 6.199 1.00 0.00 C ATOM 1331 CG MET B 90 -1.072 4.263 7.536 1.00 0.00 C ATOM 1332 SD MET B 90 -2.589 4.899 8.275 1.00 0.00 S ATOM 1333 CE MET B 90 -1.943 5.595 9.800 1.00 0.00 C ATOM 0 H MET B 90 0.756 4.269 4.320 1.00 0.00 H new ATOM 0 HA MET B 90 0.346 2.372 6.519 1.00 0.00 H new ATOM 0 HB2 MET B 90 -1.640 4.327 5.478 1.00 0.00 H new ATOM 0 HB3 MET B 90 -2.101 2.852 6.305 1.00 0.00 H new ATOM 0 HG2 MET B 90 -0.610 3.554 8.223 1.00 0.00 H new ATOM 0 HG3 MET B 90 -0.367 5.084 7.404 1.00 0.00 H new ATOM 0 HE1 MET B 90 -2.760 6.031 10.376 1.00 0.00 H new ATOM 0 HE2 MET B 90 -1.466 4.809 10.385 1.00 0.00 H new ATOM 0 HE3 MET B 90 -1.211 6.368 9.566 1.00 0.00 H new ATOM 1343 N ILE B 91 -0.260 0.670 4.956 1.00 0.00 N ATOM 1344 CA ILE B 91 -0.491 -0.444 4.092 1.00 0.00 C ATOM 1345 C ILE B 91 -1.808 -1.059 4.490 1.00 0.00 C ATOM 1346 O ILE B 91 -2.074 -1.204 5.675 1.00 0.00 O ATOM 1347 CB ILE B 91 0.687 -1.495 4.216 1.00 0.00 C ATOM 1348 CG1 ILE B 91 1.941 -1.132 3.356 1.00 0.00 C ATOM 1349 CG2 ILE B 91 0.232 -2.911 3.888 1.00 0.00 C ATOM 1350 CD1 ILE B 91 2.454 0.285 3.463 1.00 0.00 C ATOM 0 H ILE B 91 0.014 0.400 5.901 1.00 0.00 H new ATOM 0 HA ILE B 91 -0.526 -0.123 3.051 1.00 0.00 H new ATOM 0 HB ILE B 91 0.986 -1.453 5.263 1.00 0.00 H new ATOM 0 HG12 ILE B 91 2.750 -1.808 3.633 1.00 0.00 H new ATOM 0 HG13 ILE B 91 1.705 -1.330 2.310 1.00 0.00 H new ATOM 0 HG21 ILE B 91 1.074 -3.596 3.987 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -0.560 -3.207 4.576 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -0.145 -2.944 2.866 1.00 0.00 H new ATOM 0 HD11 ILE B 91 3.325 0.406 2.819 1.00 0.00 H new ATOM 0 HD12 ILE B 91 1.673 0.979 3.152 1.00 0.00 H new ATOM 0 HD13 ILE B 91 2.735 0.493 4.495 1.00 0.00 H new ATOM 1362 N GLY B 92 -2.641 -1.342 3.520 1.00 0.00 N ATOM 1363 CA GLY B 92 -3.902 -1.972 3.785 1.00 0.00 C ATOM 1364 C GLY B 92 -3.963 -3.293 3.120 1.00 0.00 C ATOM 1365 O GLY B 92 -4.184 -3.401 1.905 1.00 0.00 O ATOM 0 H GLY B 92 -2.463 -1.143 2.535 1.00 0.00 H new ATOM 0 HA2 GLY B 92 -4.039 -2.091 4.860 1.00 0.00 H new ATOM 0 HA3 GLY B 92 -4.715 -1.339 3.429 1.00 0.00 H new ATOM 1369 N ARG B 93 -3.752 -4.283 3.894 1.00 0.00 N ATOM 1370 CA ARG B 93 -3.689 -5.640 3.427 1.00 0.00 C ATOM 1371 C ARG B 93 -4.200 -6.573 4.484 1.00 0.00 C ATOM 1372 O ARG B 93 -3.780 -6.495 5.623 1.00 0.00 O ATOM 1373 CB ARG B 93 -2.226 -6.015 3.057 1.00 0.00 C ATOM 1374 CG ARG B 93 -1.977 -7.517 2.847 1.00 0.00 C ATOM 1375 CD ARG B 93 -2.750 -8.079 1.676 1.00 0.00 C ATOM 1376 NE ARG B 93 -2.199 -7.639 0.391 1.00 0.00 N ATOM 1377 CZ ARG B 93 -2.823 -7.676 -0.794 1.00 0.00 C ATOM 1378 NH1 ARG B 93 -4.107 -8.024 -0.874 1.00 0.00 N ATOM 1379 NH2 ARG B 93 -2.145 -7.359 -1.893 1.00 0.00 N ATOM 0 H ARG B 93 -3.612 -4.187 4.900 1.00 0.00 H new ATOM 0 HA ARG B 93 -4.313 -5.731 2.538 1.00 0.00 H new ATOM 0 HB2 ARG B 93 -1.950 -5.485 2.146 1.00 0.00 H new ATOM 0 HB3 ARG B 93 -1.564 -5.659 3.846 1.00 0.00 H new ATOM 0 HG2 ARG B 93 -0.912 -7.686 2.688 1.00 0.00 H new ATOM 0 HG3 ARG B 93 -2.254 -8.057 3.752 1.00 0.00 H new ATOM 0 HD2 ARG B 93 -2.737 -9.168 1.722 1.00 0.00 H new ATOM 0 HD3 ARG B 93 -3.793 -7.770 1.748 1.00 0.00 H new ATOM 0 HE ARG B 93 -1.249 -7.269 0.400 1.00 0.00 H new ATOM 0 HH11 ARG B 93 -4.624 -8.265 -0.028 1.00 0.00 H new ATOM 0 HH12 ARG B 93 -4.573 -8.049 -1.781 1.00 0.00 H new ATOM 0 HH21 ARG B 93 -1.163 -7.092 -1.827 1.00 0.00 H new ATOM 0 HH22 ARG B 93 -2.607 -7.383 -2.802 1.00 0.00 H new ATOM 1393 N GLU B 94 -5.123 -7.419 4.115 1.00 0.00 N ATOM 1394 CA GLU B 94 -5.569 -8.463 4.989 1.00 0.00 C ATOM 1395 C GLU B 94 -4.893 -9.738 4.545 1.00 0.00 C ATOM 1396 O GLU B 94 -5.395 -10.472 3.683 1.00 0.00 O ATOM 1397 CB GLU B 94 -7.084 -8.614 4.971 1.00 0.00 C ATOM 1398 CG GLU B 94 -7.637 -9.684 5.911 1.00 0.00 C ATOM 1399 CD GLU B 94 -9.145 -9.788 5.858 1.00 0.00 C ATOM 1400 OE1 GLU B 94 -9.701 -10.190 4.807 1.00 0.00 O ATOM 1401 OE2 GLU B 94 -9.828 -9.503 6.875 1.00 0.00 O ATOM 0 H GLU B 94 -5.583 -7.402 3.205 1.00 0.00 H new ATOM 0 HA GLU B 94 -5.304 -8.221 6.018 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -7.533 -7.656 5.232 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -7.399 -8.847 3.954 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -7.201 -10.649 5.652 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -7.329 -9.459 6.932 1.00 0.00 H new ATOM 1408 N ARG B 95 -3.704 -9.917 5.027 1.00 0.00 N ATOM 1409 CA ARG B 95 -2.927 -11.093 4.731 1.00 0.00 C ATOM 1410 C ARG B 95 -3.369 -12.288 5.615 1.00 0.00 C ATOM 1411 O ARG B 95 -3.733 -13.336 5.089 1.00 0.00 O ATOM 1412 CB ARG B 95 -1.420 -10.791 4.847 1.00 0.00 C ATOM 1413 CG ARG B 95 -0.543 -12.011 4.943 1.00 0.00 C ATOM 1414 CD ARG B 95 0.899 -11.623 5.150 1.00 0.00 C ATOM 1415 NE ARG B 95 1.767 -12.797 5.230 1.00 0.00 N ATOM 1416 CZ ARG B 95 3.090 -12.789 5.029 1.00 0.00 C ATOM 1417 NH1 ARG B 95 3.732 -11.630 4.821 1.00 0.00 N ATOM 1418 NH2 ARG B 95 3.774 -13.934 5.067 1.00 0.00 N ATOM 0 H ARG B 95 -3.236 -9.251 5.642 1.00 0.00 H new ATOM 0 HA ARG B 95 -3.113 -11.387 3.698 1.00 0.00 H new ATOM 0 HB2 ARG B 95 -1.112 -10.205 3.981 1.00 0.00 H new ATOM 0 HB3 ARG B 95 -1.254 -10.170 5.727 1.00 0.00 H new ATOM 0 HG2 ARG B 95 -0.877 -12.639 5.769 1.00 0.00 H new ATOM 0 HG3 ARG B 95 -0.637 -12.604 4.033 1.00 0.00 H new ATOM 0 HD2 ARG B 95 1.226 -10.984 4.330 1.00 0.00 H new ATOM 0 HD3 ARG B 95 0.991 -11.039 6.066 1.00 0.00 H new ATOM 0 HE ARG B 95 1.331 -13.691 5.456 1.00 0.00 H new ATOM 0 HH11 ARG B 95 3.212 -10.753 4.816 1.00 0.00 H new ATOM 0 HH12 ARG B 95 4.740 -11.626 4.668 1.00 0.00 H new ATOM 0 HH21 ARG B 95 3.288 -14.812 5.249 1.00 0.00 H new ATOM 0 HH22 ARG B 95 4.782 -13.931 4.914 1.00 0.00 H new ATOM 1432 N PRO B 96 -3.333 -12.157 6.962 1.00 0.00 N ATOM 1433 CA PRO B 96 -3.804 -13.199 7.852 1.00 0.00 C ATOM 1434 C PRO B 96 -5.301 -13.068 8.097 1.00 0.00 C ATOM 1435 O PRO B 96 -5.970 -12.201 7.518 1.00 0.00 O ATOM 1436 CB PRO B 96 -3.038 -12.899 9.138 1.00 0.00 C ATOM 1437 CG PRO B 96 -2.924 -11.421 9.158 1.00 0.00 C ATOM 1438 CD PRO B 96 -2.803 -11.004 7.727 1.00 0.00 C ATOM 0 HA PRO B 96 -3.647 -14.204 7.461 1.00 0.00 H new ATOM 0 HB2 PRO B 96 -3.571 -13.269 10.014 1.00 0.00 H new ATOM 0 HB3 PRO B 96 -2.057 -13.374 9.137 1.00 0.00 H new ATOM 0 HG2 PRO B 96 -3.798 -10.967 9.625 1.00 0.00 H new ATOM 0 HG3 PRO B 96 -2.054 -11.103 9.733 1.00 0.00 H new ATOM 0 HD2 PRO B 96 -3.375 -10.098 7.527 1.00 0.00 H new ATOM 0 HD3 PRO B 96 -1.767 -10.793 7.461 1.00 0.00 H new ATOM 1446 N GLY B 97 -5.824 -13.934 8.906 1.00 0.00 N ATOM 1447 CA GLY B 97 -7.210 -13.845 9.270 1.00 0.00 C ATOM 1448 C GLY B 97 -7.365 -13.335 10.675 1.00 0.00 C ATOM 1449 O GLY B 97 -8.325 -12.617 10.997 1.00 0.00 O ATOM 0 H GLY B 97 -5.317 -14.711 9.329 1.00 0.00 H new ATOM 0 HA2 GLY B 97 -7.730 -13.181 8.579 1.00 0.00 H new ATOM 0 HA3 GLY B 97 -7.677 -14.826 9.182 1.00 0.00 H new ATOM 1453 N GLU B 98 -6.427 -13.699 11.525 1.00 0.00 N ATOM 1454 CA GLU B 98 -6.475 -13.306 12.894 1.00 0.00 C ATOM 1455 C GLU B 98 -5.088 -13.018 13.486 1.00 0.00 C ATOM 1456 O GLU B 98 -4.960 -12.200 14.400 1.00 0.00 O ATOM 1457 CB GLU B 98 -7.189 -14.379 13.667 1.00 0.00 C ATOM 1458 CG GLU B 98 -6.544 -15.745 13.594 1.00 0.00 C ATOM 1459 CD GLU B 98 -7.337 -16.757 14.343 1.00 0.00 C ATOM 1460 OE1 GLU B 98 -8.324 -17.269 13.796 1.00 0.00 O ATOM 1461 OE2 GLU B 98 -6.993 -17.051 15.502 1.00 0.00 O ATOM 0 H GLU B 98 -5.620 -14.272 11.276 1.00 0.00 H new ATOM 0 HA GLU B 98 -7.018 -12.363 12.965 1.00 0.00 H new ATOM 0 HB2 GLU B 98 -7.249 -14.076 14.712 1.00 0.00 H new ATOM 0 HB3 GLU B 98 -8.212 -14.455 13.298 1.00 0.00 H new ATOM 0 HG2 GLU B 98 -6.451 -16.051 12.552 1.00 0.00 H new ATOM 0 HG3 GLU B 98 -5.535 -15.695 14.003 1.00 0.00 H new ATOM 1468 N GLN B 99 -4.052 -13.670 12.978 1.00 0.00 N ATOM 1469 CA GLN B 99 -2.738 -13.476 13.497 1.00 0.00 C ATOM 1470 C GLN B 99 -2.046 -12.281 12.882 1.00 0.00 C ATOM 1471 O GLN B 99 -1.272 -12.393 11.936 1.00 0.00 O ATOM 1472 CB GLN B 99 -1.907 -14.740 13.403 1.00 0.00 C ATOM 1473 CG GLN B 99 -2.361 -15.832 14.357 1.00 0.00 C ATOM 1474 CD GLN B 99 -2.338 -15.363 15.803 1.00 0.00 C ATOM 1475 OE1 GLN B 99 -3.330 -14.833 16.322 1.00 0.00 O ATOM 1476 NE2 GLN B 99 -1.228 -15.542 16.460 1.00 0.00 N ATOM 0 H GLN B 99 -4.113 -14.335 12.207 1.00 0.00 H new ATOM 0 HA GLN B 99 -2.846 -13.247 14.557 1.00 0.00 H new ATOM 0 HB2 GLN B 99 -1.949 -15.119 12.382 1.00 0.00 H new ATOM 0 HB3 GLN B 99 -0.865 -14.497 13.610 1.00 0.00 H new ATOM 0 HG2 GLN B 99 -3.370 -16.149 14.093 1.00 0.00 H new ATOM 0 HG3 GLN B 99 -1.715 -16.703 14.247 1.00 0.00 H new ATOM 0 HE21 GLN B 99 -0.430 -15.982 16.002 1.00 0.00 H new ATOM 0 HE22 GLN B 99 -1.157 -15.242 17.432 1.00 0.00 H new ATOM 1485 N SER B 100 -2.400 -11.148 13.383 1.00 0.00 N ATOM 1486 CA SER B 100 -1.838 -9.902 12.977 1.00 0.00 C ATOM 1487 C SER B 100 -0.906 -9.424 14.073 1.00 0.00 C ATOM 1488 O SER B 100 -0.880 -10.017 15.165 1.00 0.00 O ATOM 1489 CB SER B 100 -2.967 -8.909 12.822 1.00 0.00 C ATOM 1490 OG SER B 100 -3.975 -9.406 11.955 1.00 0.00 O ATOM 0 H SER B 100 -3.111 -11.058 14.109 1.00 0.00 H new ATOM 0 HA SER B 100 -1.293 -10.004 12.039 1.00 0.00 H new ATOM 0 HB2 SER B 100 -3.399 -8.691 13.799 1.00 0.00 H new ATOM 0 HB3 SER B 100 -2.577 -7.970 12.429 1.00 0.00 H new ATOM 0 HG SER B 100 -4.053 -8.819 11.174 1.00 0.00 H new ATOM 1496 N GLU B 101 -0.144 -8.391 13.821 1.00 0.00 N ATOM 1497 CA GLU B 101 0.686 -7.848 14.880 1.00 0.00 C ATOM 1498 C GLU B 101 0.020 -6.673 15.498 1.00 0.00 C ATOM 1499 O GLU B 101 -0.003 -6.502 16.710 1.00 0.00 O ATOM 1500 CB GLU B 101 2.126 -7.514 14.465 1.00 0.00 C ATOM 1501 CG GLU B 101 2.991 -8.709 14.066 1.00 0.00 C ATOM 1502 CD GLU B 101 2.633 -9.293 12.723 1.00 0.00 C ATOM 1503 OE1 GLU B 101 2.928 -8.657 11.700 1.00 0.00 O ATOM 1504 OE2 GLU B 101 2.091 -10.409 12.660 1.00 0.00 O ATOM 0 H GLU B 101 -0.076 -7.916 12.921 1.00 0.00 H new ATOM 0 HA GLU B 101 0.790 -8.646 15.615 1.00 0.00 H new ATOM 0 HB2 GLU B 101 2.092 -6.817 13.628 1.00 0.00 H new ATOM 0 HB3 GLU B 101 2.612 -6.996 15.291 1.00 0.00 H new ATOM 0 HG2 GLU B 101 4.037 -8.401 14.052 1.00 0.00 H new ATOM 0 HG3 GLU B 101 2.897 -9.484 14.826 1.00 0.00 H new ATOM 1511 N VAL B 102 -0.576 -5.923 14.676 1.00 0.00 N ATOM 1512 CA VAL B 102 -1.270 -4.735 15.089 1.00 0.00 C ATOM 1513 C VAL B 102 -2.721 -5.088 15.292 1.00 0.00 C ATOM 1514 O VAL B 102 -3.563 -4.916 14.417 1.00 0.00 O ATOM 1515 CB VAL B 102 -1.185 -3.606 14.063 1.00 0.00 C ATOM 1516 CG1 VAL B 102 -1.746 -2.289 14.616 1.00 0.00 C ATOM 1517 CG2 VAL B 102 0.215 -3.443 13.490 1.00 0.00 C ATOM 0 H VAL B 102 -0.611 -6.099 13.672 1.00 0.00 H new ATOM 0 HA VAL B 102 -0.799 -4.377 16.004 1.00 0.00 H new ATOM 0 HB VAL B 102 -1.822 -3.895 13.227 1.00 0.00 H new ATOM 0 HG11 VAL B 102 -1.667 -1.512 13.856 1.00 0.00 H new ATOM 0 HG12 VAL B 102 -2.793 -2.425 14.888 1.00 0.00 H new ATOM 0 HG13 VAL B 102 -1.177 -1.993 15.498 1.00 0.00 H new ATOM 0 HG21 VAL B 102 0.219 -2.628 12.767 1.00 0.00 H new ATOM 0 HG22 VAL B 102 0.914 -3.217 14.295 1.00 0.00 H new ATOM 0 HG23 VAL B 102 0.516 -4.367 12.997 1.00 0.00 H new ATOM 1527 N ALA B 103 -2.968 -5.681 16.381 1.00 0.00 N ATOM 1528 CA ALA B 103 -4.305 -6.060 16.758 1.00 0.00 C ATOM 1529 C ALA B 103 -4.843 -5.100 17.783 1.00 0.00 C ATOM 1530 O ALA B 103 -5.724 -4.283 17.489 1.00 0.00 O ATOM 1531 CB ALA B 103 -4.353 -7.500 17.251 1.00 0.00 C ATOM 0 H ALA B 103 -2.253 -5.932 17.064 1.00 0.00 H new ATOM 0 HA ALA B 103 -4.944 -6.008 15.877 1.00 0.00 H new ATOM 0 HB1 ALA B 103 -5.376 -7.756 17.528 1.00 0.00 H new ATOM 0 HB2 ALA B 103 -4.014 -8.167 16.459 1.00 0.00 H new ATOM 0 HB3 ALA B 103 -3.704 -7.609 18.120 1.00 0.00 H new ATOM 1537 N GLN B 104 -4.280 -5.148 18.961 1.00 0.00 N ATOM 1538 CA GLN B 104 -4.707 -4.274 20.048 1.00 0.00 C ATOM 1539 C GLN B 104 -3.686 -3.182 20.307 1.00 0.00 C ATOM 1540 O GLN B 104 -3.696 -2.545 21.333 1.00 0.00 O ATOM 1541 CB GLN B 104 -4.964 -5.078 21.325 1.00 0.00 C ATOM 1542 CG GLN B 104 -6.010 -6.167 21.153 1.00 0.00 C ATOM 1543 CD GLN B 104 -7.330 -5.642 20.613 1.00 0.00 C ATOM 1544 OE1 GLN B 104 -7.722 -4.494 20.854 1.00 0.00 O ATOM 1545 NE2 GLN B 104 -8.008 -6.454 19.860 1.00 0.00 N ATOM 0 H GLN B 104 -3.520 -5.783 19.204 1.00 0.00 H new ATOM 0 HA GLN B 104 -5.641 -3.800 19.744 1.00 0.00 H new ATOM 0 HB2 GLN B 104 -4.029 -5.531 21.654 1.00 0.00 H new ATOM 0 HB3 GLN B 104 -5.284 -4.399 22.115 1.00 0.00 H new ATOM 0 HG2 GLN B 104 -5.625 -6.930 20.476 1.00 0.00 H new ATOM 0 HG3 GLN B 104 -6.184 -6.651 22.114 1.00 0.00 H new ATOM 0 HE21 GLN B 104 -7.658 -7.395 19.680 1.00 0.00 H new ATOM 0 HE22 GLN B 104 -8.891 -6.151 19.448 1.00 0.00 H new ATOM 1554 N LEU B 105 -2.845 -2.935 19.326 1.00 0.00 N ATOM 1555 CA LEU B 105 -1.792 -1.920 19.440 1.00 0.00 C ATOM 1556 C LEU B 105 -2.274 -0.569 18.935 1.00 0.00 C ATOM 1557 O LEU B 105 -1.482 0.308 18.607 1.00 0.00 O ATOM 1558 CB LEU B 105 -0.501 -2.348 18.702 1.00 0.00 C ATOM 1559 CG LEU B 105 0.370 -3.445 19.361 1.00 0.00 C ATOM 1560 CD1 LEU B 105 0.799 -3.035 20.758 1.00 0.00 C ATOM 1561 CD2 LEU B 105 -0.331 -4.792 19.390 1.00 0.00 C ATOM 0 H LEU B 105 -2.862 -3.421 18.430 1.00 0.00 H new ATOM 0 HA LEU B 105 -1.553 -1.824 20.499 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -0.782 -2.694 17.707 1.00 0.00 H new ATOM 0 HB3 LEU B 105 0.119 -1.462 18.568 1.00 0.00 H new ATOM 0 HG LEU B 105 1.261 -3.555 18.743 1.00 0.00 H new ATOM 0 HD11 LEU B 105 1.409 -3.824 21.197 1.00 0.00 H new ATOM 0 HD12 LEU B 105 1.380 -2.114 20.705 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -0.084 -2.872 21.377 1.00 0.00 H new ATOM 0 HD21 LEU B 105 0.318 -5.530 19.861 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -1.257 -4.708 19.958 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -0.558 -5.106 18.371 1.00 0.00 H new ATOM 1573 N ILE B 106 -3.576 -0.405 18.909 1.00 0.00 N ATOM 1574 CA ILE B 106 -4.187 0.834 18.491 1.00 0.00 C ATOM 1575 C ILE B 106 -4.096 1.830 19.643 1.00 0.00 C ATOM 1576 O ILE B 106 -3.482 2.890 19.503 1.00 0.00 O ATOM 1577 CB ILE B 106 -5.662 0.605 18.066 1.00 0.00 C ATOM 1578 CG1 ILE B 106 -5.734 -0.273 16.799 1.00 0.00 C ATOM 1579 CG2 ILE B 106 -6.412 1.915 17.887 1.00 0.00 C ATOM 1580 CD1 ILE B 106 -5.079 0.326 15.564 1.00 0.00 C ATOM 0 H ILE B 106 -4.242 -1.129 19.178 1.00 0.00 H new ATOM 0 HA ILE B 106 -3.661 1.232 17.623 1.00 0.00 H new ATOM 0 HB ILE B 106 -6.161 0.070 18.874 1.00 0.00 H new ATOM 0 HG12 ILE B 106 -5.263 -1.232 17.013 1.00 0.00 H new ATOM 0 HG13 ILE B 106 -6.781 -0.475 16.574 1.00 0.00 H new ATOM 0 HG21 ILE B 106 -7.440 1.708 17.590 1.00 0.00 H new ATOM 0 HG22 ILE B 106 -6.410 2.467 18.827 1.00 0.00 H new ATOM 0 HG23 ILE B 106 -5.924 2.511 17.116 1.00 0.00 H new ATOM 0 HD11 ILE B 106 -5.181 -0.364 14.727 1.00 0.00 H new ATOM 0 HD12 ILE B 106 -5.564 1.271 15.317 1.00 0.00 H new ATOM 0 HD13 ILE B 106 -4.022 0.502 15.762 1.00 0.00 H new ATOM 1592 N GLN B 107 -4.716 1.438 20.766 1.00 0.00 N ATOM 1593 CA GLN B 107 -4.692 2.101 22.070 1.00 0.00 C ATOM 1594 C GLN B 107 -4.668 3.630 21.998 1.00 0.00 C ATOM 1595 O GLN B 107 -3.597 4.239 21.909 1.00 0.00 O ATOM 1596 CB GLN B 107 -3.507 1.565 22.844 1.00 0.00 C ATOM 1597 CG GLN B 107 -3.542 0.057 23.110 1.00 0.00 C ATOM 1598 CD GLN B 107 -4.473 -0.414 24.234 1.00 0.00 C ATOM 1599 OE1 GLN B 107 -5.496 0.324 24.565 1.00 0.00 O flip ATOM 1600 NE2 GLN B 107 -4.226 -1.450 24.844 1.00 0.00 N flip ATOM 0 H GLN B 107 -5.285 0.592 20.784 1.00 0.00 H new ATOM 0 HA GLN B 107 -5.627 1.872 22.581 1.00 0.00 H new ATOM 0 HB2 GLN B 107 -2.595 1.802 22.295 1.00 0.00 H new ATOM 0 HB3 GLN B 107 -3.449 2.087 23.799 1.00 0.00 H new ATOM 0 HG2 GLN B 107 -3.836 -0.446 22.189 1.00 0.00 H new ATOM 0 HG3 GLN B 107 -2.530 -0.273 23.344 1.00 0.00 H new ATOM 0 HE21 GLN B 107 -3.423 -2.020 24.577 1.00 0.00 H new ATOM 0 HE22 GLN B 107 -4.823 -1.741 25.618 1.00 0.00 H new ATOM 1609 N GLN B 108 -5.824 4.248 22.007 1.00 0.00 N ATOM 1610 CA GLN B 108 -5.866 5.686 21.925 1.00 0.00 C ATOM 1611 C GLN B 108 -6.962 6.263 22.812 1.00 0.00 C ATOM 1612 O GLN B 108 -8.146 6.261 22.445 1.00 0.00 O ATOM 1613 CB GLN B 108 -6.051 6.147 20.474 1.00 0.00 C ATOM 1614 CG GLN B 108 -5.791 7.633 20.259 1.00 0.00 C ATOM 1615 CD GLN B 108 -4.360 8.028 20.602 1.00 0.00 C ATOM 1616 OE1 GLN B 108 -3.433 7.231 20.471 1.00 0.00 O ATOM 1617 NE2 GLN B 108 -4.169 9.252 21.023 1.00 0.00 N ATOM 0 H GLN B 108 -6.732 3.788 22.069 1.00 0.00 H new ATOM 0 HA GLN B 108 -4.909 6.062 22.287 1.00 0.00 H new ATOM 0 HB2 GLN B 108 -5.380 5.575 19.833 1.00 0.00 H new ATOM 0 HB3 GLN B 108 -7.068 5.917 20.157 1.00 0.00 H new ATOM 0 HG2 GLN B 108 -5.996 7.888 19.219 1.00 0.00 H new ATOM 0 HG3 GLN B 108 -6.482 8.212 20.872 1.00 0.00 H new ATOM 0 HE21 GLN B 108 -4.961 9.887 21.120 1.00 0.00 H new ATOM 0 HE22 GLN B 108 -3.228 9.571 21.254 1.00 0.00 H new ATOM 1626 N THR B 109 -6.579 6.699 23.986 1.00 0.00 N ATOM 1627 CA THR B 109 -7.471 7.336 24.900 1.00 0.00 C ATOM 1628 C THR B 109 -6.633 8.276 25.784 1.00 0.00 C ATOM 1629 O THR B 109 -5.397 8.162 25.794 1.00 0.00 O ATOM 1630 CB THR B 109 -8.183 6.260 25.765 1.00 0.00 C ATOM 1631 OG1 THR B 109 -9.344 6.805 26.413 1.00 0.00 O ATOM 1632 CG2 THR B 109 -7.244 5.711 26.829 1.00 0.00 C ATOM 0 H THR B 109 -5.623 6.616 24.331 1.00 0.00 H new ATOM 0 HA THR B 109 -8.236 7.904 24.372 1.00 0.00 H new ATOM 0 HB THR B 109 -8.485 5.456 25.094 1.00 0.00 H new ATOM 0 HG1 THR B 109 -9.776 6.108 26.950 1.00 0.00 H new ATOM 0 HG21 THR B 109 -7.765 4.959 27.422 1.00 0.00 H new ATOM 0 HG22 THR B 109 -6.376 5.257 26.350 1.00 0.00 H new ATOM 0 HG23 THR B 109 -6.916 6.522 27.479 1.00 0.00 H new ATOM 1640 N LEU B 110 -7.284 9.240 26.431 1.00 0.00 N ATOM 1641 CA LEU B 110 -6.653 10.145 27.398 1.00 0.00 C ATOM 1642 C LEU B 110 -5.580 11.001 26.731 1.00 0.00 C ATOM 1643 O LEU B 110 -4.629 11.459 27.373 1.00 0.00 O ATOM 1644 CB LEU B 110 -6.078 9.359 28.593 1.00 0.00 C ATOM 1645 CG LEU B 110 -7.094 8.576 29.440 1.00 0.00 C ATOM 1646 CD1 LEU B 110 -6.386 7.771 30.507 1.00 0.00 C ATOM 1647 CD2 LEU B 110 -8.105 9.516 30.086 1.00 0.00 C ATOM 0 H LEU B 110 -8.279 9.420 26.299 1.00 0.00 H new ATOM 0 HA LEU B 110 -7.421 10.818 27.780 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -5.333 8.658 28.216 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -5.556 10.059 29.245 1.00 0.00 H new ATOM 0 HG LEU B 110 -7.628 7.895 28.777 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -7.121 7.223 31.097 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -5.700 7.066 30.036 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -5.826 8.443 31.158 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -8.812 8.937 30.680 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -7.584 10.223 30.731 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -8.643 10.061 29.310 1.00 0.00 H new ATOM 1659 N GLU B 111 -5.788 11.278 25.464 1.00 0.00 N ATOM 1660 CA GLU B 111 -4.838 12.023 24.656 1.00 0.00 C ATOM 1661 C GLU B 111 -5.572 12.621 23.468 1.00 0.00 C ATOM 1662 O GLU B 111 -5.465 13.805 23.173 1.00 0.00 O ATOM 1663 CB GLU B 111 -3.736 11.078 24.174 1.00 0.00 C ATOM 1664 CG GLU B 111 -2.648 11.739 23.361 1.00 0.00 C ATOM 1665 CD GLU B 111 -1.626 10.747 22.908 1.00 0.00 C ATOM 1666 OE1 GLU B 111 -0.697 10.442 23.694 1.00 0.00 O ATOM 1667 OE2 GLU B 111 -1.750 10.233 21.775 1.00 0.00 O ATOM 0 H GLU B 111 -6.626 10.992 24.958 1.00 0.00 H new ATOM 0 HA GLU B 111 -4.386 12.823 25.243 1.00 0.00 H new ATOM 0 HB2 GLU B 111 -3.282 10.599 25.041 1.00 0.00 H new ATOM 0 HB3 GLU B 111 -4.190 10.289 23.575 1.00 0.00 H new ATOM 0 HG2 GLU B 111 -3.088 12.232 22.494 1.00 0.00 H new ATOM 0 HG3 GLU B 111 -2.166 12.514 23.957 1.00 0.00 H new ATOM 1674 N GLN B 112 -6.302 11.773 22.790 1.00 0.00 N ATOM 1675 CA GLN B 112 -7.137 12.179 21.677 1.00 0.00 C ATOM 1676 C GLN B 112 -8.523 12.408 22.233 1.00 0.00 C ATOM 1677 O GLN B 112 -9.085 13.500 22.161 1.00 0.00 O ATOM 1678 CB GLN B 112 -7.176 11.056 20.645 1.00 0.00 C ATOM 1679 CG GLN B 112 -8.028 11.333 19.430 1.00 0.00 C ATOM 1680 CD GLN B 112 -8.216 10.092 18.601 1.00 0.00 C ATOM 1681 OE1 GLN B 112 -9.156 9.341 18.811 1.00 0.00 O ATOM 1682 NE2 GLN B 112 -7.328 9.849 17.684 1.00 0.00 N ATOM 0 H GLN B 112 -6.337 10.774 22.992 1.00 0.00 H new ATOM 0 HA GLN B 112 -6.755 13.080 21.198 1.00 0.00 H new ATOM 0 HB2 GLN B 112 -6.157 10.850 20.316 1.00 0.00 H new ATOM 0 HB3 GLN B 112 -7.544 10.151 21.129 1.00 0.00 H new ATOM 0 HG2 GLN B 112 -9.000 11.714 19.744 1.00 0.00 H new ATOM 0 HG3 GLN B 112 -7.561 12.110 18.825 1.00 0.00 H new ATOM 0 HE21 GLN B 112 -6.556 10.499 17.537 1.00 0.00 H new ATOM 0 HE22 GLN B 112 -7.403 9.008 17.112 1.00 0.00 H new ATOM 1691 N GLU B 113 -9.044 11.359 22.799 1.00 0.00 N ATOM 1692 CA GLU B 113 -10.289 11.368 23.469 1.00 0.00 C ATOM 1693 C GLU B 113 -9.952 11.389 24.928 1.00 0.00 C ATOM 1694 O GLU B 113 -9.433 10.374 25.406 1.00 0.00 O ATOM 1695 CB GLU B 113 -11.075 10.097 23.130 1.00 0.00 C ATOM 1696 CG GLU B 113 -12.468 10.055 23.732 1.00 0.00 C ATOM 1697 CD GLU B 113 -13.316 11.200 23.263 1.00 0.00 C ATOM 1698 OE1 GLU B 113 -13.883 11.120 22.166 1.00 0.00 O ATOM 1699 OE2 GLU B 113 -13.435 12.205 23.975 1.00 0.00 O ATOM 1700 OXT GLU B 113 -10.133 12.417 25.583 1.00 0.00 O ATOM 0 H GLU B 113 -8.589 10.446 22.801 1.00 0.00 H new ATOM 0 HA GLU B 113 -10.904 12.220 23.179 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -11.156 10.010 22.046 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -10.513 9.230 23.479 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -12.950 9.114 23.466 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -12.394 10.080 24.819 1.00 0.00 H new TER 1707 GLU B 113