USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 983 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= 1.03 K(o=2.3,f=-0.55) USER MOD Set 1.2: A 116 THR OG1 : rot -107:sc= 1.27 USER MOD Set 2.1: A 80 THR OG1 : rot 15:sc= 0.938 USER MOD Set 2.2: A 90 TYR OH : rot -171:sc= 1.21 USER MOD Set 3.1: A 78 LYS NZ :NH3+ -168:sc= 1.1 (180deg=-0.398!) USER MOD Set 3.2: A 94 GLN : amide:sc= 0.821 K(o=1.9,f=-5!) USER MOD Set 4.1: A 28 LYS NZ :NH3+ 176:sc= -2.97! (180deg=-3.94!) USER MOD Set 4.2: A 32 GLN : amide:sc= -1.19 K(o=-4.2,f=-13!) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -127:sc= 0.975 (180deg=0.00132) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -168:sc= -0.0381 (180deg=-0.258) USER MOD Single : A 12 ASN : amide:sc= 0.00918 K(o=0.0092,f=-2) USER MOD Single : A 16 HIS : no HE2:sc= 1.09 K(o=1.1,f=-5.5!) USER MOD Single : A 21 GLN : amide:sc=-0.00636 X(o=-0.0064,f=-0.3) USER MOD Single : A 23 ASN : amide:sc= -0.0976 K(o=-0.098,f=-0.72!) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.268 K(o=-0.27,f=-1.2) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.636 K(o=-0.64,f=-2.4!) USER MOD Single : A 44 ASN : amide:sc= -0.607 K(o=-0.61,f=-2.7!) USER MOD Single : A 46 ASN : amide:sc= -1.9! X(o=-1.9!,f=-1.8) USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0161) USER MOD Single : A 48 SER OG : rot 180:sc= 0.541 USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= 1.22 (180deg=0.281) USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= -0.0465 (180deg=-0.337) USER MOD Single : A 63 CYS SG : rot 69:sc= 1.05 USER MOD Single : A 65 MET CE :methyl 172:sc= -0.628 (180deg=-0.734) USER MOD Single : A 70 GLN :FLIP amide:sc= -1.5 F(o=-2.5!,f=-1.5) USER MOD Single : A 83 ASN : amide:sc= -0.284! C(o=-0.28!,f=-2.4!) USER MOD Single : A 89 ASN : amide:sc= -1.71 K(o=-1.7,f=-4.2!) USER MOD Single : A 95 THR OG1 : rot 61:sc= 1.23 USER MOD Single : A 97 SER OG : rot 72:sc= 1.25 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 179:sc= 0.00326 (180deg=0.00159) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot -170:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 110 LYS NZ :NH3+ 165:sc= 1.25 (180deg=0.961) USER MOD Single : A 112 LYS NZ :NH3+ 161:sc= -0.0828 (180deg=-0.411) USER MOD Single : A 115 GLN : amide:sc= 0.525 K(o=0.52,f=-6.5!) USER MOD Single : A 117 GLN : amide:sc= -0.0959 K(o=-0.096,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 11.942 27.728 26.870 1.00 0.00 N ATOM 2 CA GLN A 1 11.234 28.952 26.461 1.00 0.00 C ATOM 3 C GLN A 1 11.542 29.253 24.996 1.00 0.00 C ATOM 4 O GLN A 1 12.484 29.989 24.683 1.00 0.00 O ATOM 5 CB GLN A 1 11.654 30.113 27.366 1.00 0.00 C ATOM 6 CG GLN A 1 10.856 31.385 27.154 1.00 0.00 C ATOM 7 CD GLN A 1 11.202 32.454 28.166 1.00 0.00 C ATOM 8 OE1 GLN A 1 10.602 32.530 29.231 1.00 0.00 O ATOM 9 NE2 GLN A 1 12.172 33.283 27.840 1.00 0.00 N ATOM 0 H1 GLN A 1 11.265 27.060 27.291 1.00 0.00 H new ATOM 0 H2 GLN A 1 12.389 27.291 26.039 1.00 0.00 H new ATOM 0 H3 GLN A 1 12.673 27.967 27.570 1.00 0.00 H new ATOM 0 HA GLN A 1 10.158 28.813 26.563 1.00 0.00 H new ATOM 0 HB2 GLN A 1 11.553 29.803 28.406 1.00 0.00 H new ATOM 0 HB3 GLN A 1 12.709 30.327 27.198 1.00 0.00 H new ATOM 0 HG2 GLN A 1 11.042 31.765 26.149 1.00 0.00 H new ATOM 0 HG3 GLN A 1 9.792 31.159 27.217 1.00 0.00 H new ATOM 0 HE21 GLN A 1 12.646 33.185 26.942 1.00 0.00 H new ATOM 0 HE22 GLN A 1 12.449 34.023 28.485 1.00 0.00 H new ATOM 18 N GLU A 2 10.752 28.663 24.104 1.00 0.00 N ATOM 19 CA GLU A 2 10.983 28.781 22.670 1.00 0.00 C ATOM 20 C GLU A 2 9.809 28.192 21.884 1.00 0.00 C ATOM 21 O GLU A 2 8.756 27.881 22.455 1.00 0.00 O ATOM 22 CB GLU A 2 12.291 28.045 22.279 1.00 0.00 C ATOM 23 CG GLU A 2 12.253 26.512 22.420 1.00 0.00 C ATOM 24 CD GLU A 2 12.052 26.039 23.846 1.00 0.00 C ATOM 25 OE1 GLU A 2 12.973 26.197 24.667 1.00 0.00 O ATOM 26 OE2 GLU A 2 10.967 25.508 24.154 1.00 0.00 O ATOM 0 H GLU A 2 9.942 28.095 24.352 1.00 0.00 H new ATOM 0 HA GLU A 2 11.075 29.839 22.424 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.532 28.292 21.245 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.103 28.430 22.896 1.00 0.00 H new ATOM 0 HG2 GLU A 2 11.449 26.118 21.799 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.185 26.097 22.036 1.00 0.00 H new ATOM 33 N HIS A 3 9.985 28.064 20.573 1.00 0.00 N ATOM 34 CA HIS A 3 8.987 27.428 19.719 1.00 0.00 C ATOM 35 C HIS A 3 9.622 26.233 19.020 1.00 0.00 C ATOM 36 O HIS A 3 10.571 25.641 19.539 1.00 0.00 O ATOM 37 CB HIS A 3 8.452 28.378 18.633 1.00 0.00 C ATOM 38 CG HIS A 3 7.895 29.660 19.161 1.00 0.00 C ATOM 39 ND1 HIS A 3 8.483 30.884 18.934 1.00 0.00 N ATOM 40 CD2 HIS A 3 6.799 29.908 19.907 1.00 0.00 C ATOM 41 CE1 HIS A 3 7.773 31.827 19.520 1.00 0.00 C ATOM 42 NE2 HIS A 3 6.746 31.261 20.118 1.00 0.00 N ATOM 0 H HIS A 3 10.813 28.394 20.077 1.00 0.00 H new ATOM 0 HA HIS A 3 8.156 27.132 20.359 1.00 0.00 H new ATOM 0 HB2 HIS A 3 9.258 28.605 17.936 1.00 0.00 H new ATOM 0 HB3 HIS A 3 7.676 27.864 18.066 1.00 0.00 H new ATOM 0 HD2 HIS A 3 6.094 29.176 20.271 1.00 0.00 H new ATOM 0 HE1 HIS A 3 7.996 32.884 19.511 1.00 0.00 H new ATOM 0 HE2 HIS A 3 6.027 31.750 20.652 1.00 0.00 H new ATOM 51 N LYS A 4 9.098 25.872 17.847 1.00 0.00 N ATOM 52 CA LYS A 4 9.617 24.737 17.095 1.00 0.00 C ATOM 53 C LYS A 4 11.068 24.973 16.681 1.00 0.00 C ATOM 54 O LYS A 4 11.497 26.123 16.529 1.00 0.00 O ATOM 55 CB LYS A 4 8.738 24.452 15.868 1.00 0.00 C ATOM 56 CG LYS A 4 8.446 25.670 15.002 1.00 0.00 C ATOM 57 CD LYS A 4 7.513 25.312 13.855 1.00 0.00 C ATOM 58 CE LYS A 4 7.103 26.543 13.065 1.00 0.00 C ATOM 59 NZ LYS A 4 6.152 26.213 11.973 1.00 0.00 N ATOM 0 H LYS A 4 8.316 26.351 17.401 1.00 0.00 H new ATOM 0 HA LYS A 4 9.592 23.861 17.743 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.227 23.695 15.255 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.793 24.027 16.205 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.996 26.454 15.611 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.379 26.071 14.605 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.006 24.601 13.192 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.624 24.818 14.248 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.645 27.269 13.737 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.990 27.015 12.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.898 27.081 11.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.597 25.540 11.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.294 25.787 12.377 1.00 0.00 H new ATOM 73 N PRO A 5 11.843 23.884 16.499 1.00 0.00 N ATOM 74 CA PRO A 5 13.267 23.963 16.145 1.00 0.00 C ATOM 75 C PRO A 5 13.529 24.666 14.809 1.00 0.00 C ATOM 76 O PRO A 5 12.619 25.202 14.167 1.00 0.00 O ATOM 77 CB PRO A 5 13.704 22.490 16.067 1.00 0.00 C ATOM 78 CG PRO A 5 12.439 21.727 15.881 1.00 0.00 C ATOM 79 CD PRO A 5 11.393 22.487 16.632 1.00 0.00 C ATOM 0 HA PRO A 5 13.818 24.555 16.876 1.00 0.00 H new ATOM 0 HB2 PRO A 5 14.391 22.325 15.237 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.222 22.182 16.976 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.182 21.647 14.825 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.535 20.711 16.264 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.401 22.339 16.205 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.340 22.177 17.676 1.00 0.00 H new ATOM 87 N LYS A 6 14.770 24.634 14.387 1.00 0.00 N ATOM 88 CA LYS A 6 15.173 25.260 13.153 1.00 0.00 C ATOM 89 C LYS A 6 15.318 24.202 12.078 1.00 0.00 C ATOM 90 O LYS A 6 16.367 23.566 11.950 1.00 0.00 O ATOM 91 CB LYS A 6 16.493 26.017 13.345 1.00 0.00 C ATOM 92 CG LYS A 6 16.991 26.740 12.097 1.00 0.00 C ATOM 93 CD LYS A 6 18.341 27.411 12.339 1.00 0.00 C ATOM 94 CE LYS A 6 18.245 28.496 13.402 1.00 0.00 C ATOM 95 NZ LYS A 6 19.560 29.120 13.689 1.00 0.00 N ATOM 0 H LYS A 6 15.528 24.173 14.890 1.00 0.00 H new ATOM 0 HA LYS A 6 14.412 25.978 12.847 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.367 26.745 14.146 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.258 25.312 13.672 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.079 26.030 11.275 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.260 27.490 11.794 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.070 26.662 12.648 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.705 27.845 11.407 1.00 0.00 H new ATOM 0 HE2 LYS A 6 17.545 29.264 13.072 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.840 28.068 14.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.445 29.852 14.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 20.222 28.394 14.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.936 29.552 12.821 1.00 0.00 H new ATOM 109 N LYS A 7 14.256 23.979 11.339 1.00 0.00 N ATOM 110 CA LYS A 7 14.265 22.990 10.282 1.00 0.00 C ATOM 111 C LYS A 7 14.009 23.655 8.949 1.00 0.00 C ATOM 112 O LYS A 7 13.300 24.667 8.882 1.00 0.00 O ATOM 113 CB LYS A 7 13.215 21.892 10.527 1.00 0.00 C ATOM 114 CG LYS A 7 11.782 22.294 10.182 1.00 0.00 C ATOM 115 CD LYS A 7 11.181 23.243 11.207 1.00 0.00 C ATOM 116 CE LYS A 7 9.745 23.599 10.855 1.00 0.00 C ATOM 117 NZ LYS A 7 9.639 24.232 9.514 1.00 0.00 N ATOM 0 H LYS A 7 13.370 24.471 11.450 1.00 0.00 H new ATOM 0 HA LYS A 7 15.249 22.520 10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.483 21.014 9.940 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.254 21.598 11.576 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.767 22.768 9.200 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.163 21.399 10.113 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.212 22.782 12.194 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.781 24.152 11.260 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.132 22.698 10.880 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.345 24.277 11.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.690 24.640 9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.352 24.984 9.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.801 23.515 8.778 1.00 0.00 H new ATOM 131 N ASP A 8 14.578 23.091 7.903 1.00 0.00 N ATOM 132 CA ASP A 8 14.430 23.612 6.553 1.00 0.00 C ATOM 133 C ASP A 8 15.190 22.743 5.575 1.00 0.00 C ATOM 134 O ASP A 8 16.212 22.148 5.926 1.00 0.00 O ATOM 135 CB ASP A 8 14.915 25.058 6.471 1.00 0.00 C ATOM 136 CG ASP A 8 14.915 25.602 5.056 1.00 0.00 C ATOM 137 OD1 ASP A 8 13.842 25.616 4.416 1.00 0.00 O ATOM 138 OD2 ASP A 8 15.983 26.019 4.583 1.00 0.00 O ATOM 0 H ASP A 8 15.159 22.255 7.962 1.00 0.00 H new ATOM 0 HA ASP A 8 13.372 23.596 6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.279 25.685 7.096 1.00 0.00 H new ATOM 0 HB3 ASP A 8 15.924 25.121 6.879 1.00 0.00 H new ATOM 143 N ASP A 9 14.706 22.679 4.354 1.00 0.00 N ATOM 144 CA ASP A 9 15.300 21.834 3.327 1.00 0.00 C ATOM 145 C ASP A 9 16.219 22.666 2.423 1.00 0.00 C ATOM 146 O ASP A 9 16.322 22.418 1.222 1.00 0.00 O ATOM 147 CB ASP A 9 14.193 21.161 2.506 1.00 0.00 C ATOM 148 CG ASP A 9 14.660 19.892 1.815 1.00 0.00 C ATOM 149 OD1 ASP A 9 14.741 18.846 2.489 1.00 0.00 O ATOM 150 OD2 ASP A 9 14.933 19.927 0.601 1.00 0.00 O ATOM 0 H ASP A 9 13.892 23.207 4.040 1.00 0.00 H new ATOM 0 HA ASP A 9 15.901 21.059 3.802 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.354 20.925 3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.825 21.862 1.757 1.00 0.00 H new ATOM 155 N PHE A 10 16.864 23.676 3.022 1.00 0.00 N ATOM 156 CA PHE A 10 17.810 24.563 2.321 1.00 0.00 C ATOM 157 C PHE A 10 17.087 25.507 1.370 1.00 0.00 C ATOM 158 O PHE A 10 17.618 25.882 0.320 1.00 0.00 O ATOM 159 CB PHE A 10 18.897 23.762 1.587 1.00 0.00 C ATOM 160 CG PHE A 10 19.863 23.082 2.516 1.00 0.00 C ATOM 161 CD1 PHE A 10 19.491 21.945 3.209 1.00 0.00 C ATOM 162 CD2 PHE A 10 21.142 23.581 2.695 1.00 0.00 C ATOM 163 CE1 PHE A 10 20.372 21.317 4.066 1.00 0.00 C ATOM 164 CE2 PHE A 10 22.027 22.958 3.548 1.00 0.00 C ATOM 165 CZ PHE A 10 21.643 21.825 4.235 1.00 0.00 C ATOM 0 H PHE A 10 16.746 23.904 4.009 1.00 0.00 H new ATOM 0 HA PHE A 10 18.305 25.171 3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 10 18.422 23.012 0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 10 19.448 24.431 0.927 1.00 0.00 H new ATOM 0 HD1 PHE A 10 18.497 21.543 3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 10 21.449 24.468 2.161 1.00 0.00 H new ATOM 0 HE1 PHE A 10 20.067 20.431 4.603 1.00 0.00 H new ATOM 0 HE2 PHE A 10 23.022 23.357 3.679 1.00 0.00 H new ATOM 0 HZ PHE A 10 22.336 21.337 4.904 1.00 0.00 H new ATOM 175 N ARG A 11 15.862 25.875 1.763 1.00 0.00 N ATOM 176 CA ARG A 11 15.011 26.821 1.017 1.00 0.00 C ATOM 177 C ARG A 11 14.344 26.153 -0.171 1.00 0.00 C ATOM 178 O ARG A 11 13.856 26.827 -1.079 1.00 0.00 O ATOM 179 CB ARG A 11 15.791 28.069 0.559 1.00 0.00 C ATOM 180 CG ARG A 11 15.875 29.179 1.595 1.00 0.00 C ATOM 181 CD ARG A 11 16.537 28.721 2.883 1.00 0.00 C ATOM 182 NE ARG A 11 16.613 29.805 3.854 1.00 0.00 N ATOM 183 CZ ARG A 11 16.477 29.661 5.169 1.00 0.00 C ATOM 184 NH1 ARG A 11 16.294 28.455 5.700 1.00 0.00 N ATOM 185 NH2 ARG A 11 16.541 30.727 5.956 1.00 0.00 N ATOM 0 H ARG A 11 15.426 25.523 2.615 1.00 0.00 H new ATOM 0 HA ARG A 11 14.235 27.149 1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 11 16.802 27.769 0.285 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.321 28.465 -0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 11 16.435 30.017 1.180 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.872 29.543 1.815 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.975 27.889 3.307 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.540 28.352 2.668 1.00 0.00 H new ATOM 0 HE ARG A 11 16.783 30.746 3.498 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.257 27.633 5.098 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.191 28.353 6.710 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.694 31.651 5.552 1.00 0.00 H new ATOM 0 HH22 ARG A 11 16.437 30.623 6.965 1.00 0.00 H new ATOM 199 N ASN A 12 14.316 24.828 -0.150 1.00 0.00 N ATOM 200 CA ASN A 12 13.689 24.054 -1.210 1.00 0.00 C ATOM 201 C ASN A 12 12.200 24.387 -1.302 1.00 0.00 C ATOM 202 O ASN A 12 11.567 24.720 -0.293 1.00 0.00 O ATOM 203 CB ASN A 12 13.885 22.559 -0.958 1.00 0.00 C ATOM 204 CG ASN A 12 13.357 21.683 -2.081 1.00 0.00 C ATOM 205 OD1 ASN A 12 13.319 22.089 -3.245 1.00 0.00 O ATOM 206 ND2 ASN A 12 12.958 20.475 -1.743 1.00 0.00 N ATOM 0 H ASN A 12 14.724 24.264 0.596 1.00 0.00 H new ATOM 0 HA ASN A 12 14.161 24.313 -2.158 1.00 0.00 H new ATOM 0 HB2 ASN A 12 14.947 22.358 -0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 12 13.385 22.286 -0.029 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.602 19.838 -2.455 1.00 0.00 H new ATOM 0 HD22 ASN A 12 13.005 20.176 -0.769 1.00 0.00 H new ATOM 213 N GLU A 13 11.663 24.300 -2.516 1.00 0.00 N ATOM 214 CA GLU A 13 10.264 24.617 -2.799 1.00 0.00 C ATOM 215 C GLU A 13 9.319 23.889 -1.842 1.00 0.00 C ATOM 216 O GLU A 13 8.564 24.532 -1.112 1.00 0.00 O ATOM 217 CB GLU A 13 9.941 24.258 -4.249 1.00 0.00 C ATOM 218 CG GLU A 13 8.532 24.611 -4.689 1.00 0.00 C ATOM 219 CD GLU A 13 8.298 24.303 -6.149 1.00 0.00 C ATOM 220 OE1 GLU A 13 8.118 23.119 -6.491 1.00 0.00 O ATOM 221 OE2 GLU A 13 8.317 25.245 -6.966 1.00 0.00 O ATOM 0 H GLU A 13 12.190 24.005 -3.338 1.00 0.00 H new ATOM 0 HA GLU A 13 10.117 25.687 -2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.650 24.767 -4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.093 23.188 -4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.814 24.058 -4.083 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.351 25.671 -4.509 1.00 0.00 H new ATOM 228 N PHE A 14 9.348 22.566 -1.835 1.00 0.00 N ATOM 229 CA PHE A 14 8.467 21.816 -0.958 1.00 0.00 C ATOM 230 C PHE A 14 9.249 20.901 -0.039 1.00 0.00 C ATOM 231 O PHE A 14 9.908 19.966 -0.490 1.00 0.00 O ATOM 232 CB PHE A 14 7.453 20.992 -1.762 1.00 0.00 C ATOM 233 CG PHE A 14 6.469 21.817 -2.538 1.00 0.00 C ATOM 234 CD1 PHE A 14 5.610 22.690 -1.887 1.00 0.00 C ATOM 235 CD2 PHE A 14 6.402 21.724 -3.916 1.00 0.00 C ATOM 236 CE1 PHE A 14 4.703 23.448 -2.597 1.00 0.00 C ATOM 237 CE2 PHE A 14 5.497 22.481 -4.632 1.00 0.00 C ATOM 238 CZ PHE A 14 4.647 23.344 -3.971 1.00 0.00 C ATOM 0 H PHE A 14 9.962 21.997 -2.418 1.00 0.00 H new ATOM 0 HA PHE A 14 7.929 22.544 -0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.993 20.346 -2.453 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.906 20.342 -1.079 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.652 22.777 -0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.066 21.051 -4.438 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.038 24.122 -2.078 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.454 22.398 -5.708 1.00 0.00 H new ATOM 0 HZ PHE A 14 3.938 23.938 -4.529 1.00 0.00 H new ATOM 248 N ASP A 15 9.184 21.184 1.250 1.00 0.00 N ATOM 249 CA ASP A 15 9.818 20.336 2.250 1.00 0.00 C ATOM 250 C ASP A 15 9.041 19.030 2.360 1.00 0.00 C ATOM 251 O ASP A 15 9.579 17.945 2.132 1.00 0.00 O ATOM 252 CB ASP A 15 9.844 21.056 3.610 1.00 0.00 C ATOM 253 CG ASP A 15 10.308 20.166 4.749 1.00 0.00 C ATOM 254 OD1 ASP A 15 11.527 20.004 4.926 1.00 0.00 O ATOM 255 OD2 ASP A 15 9.448 19.631 5.480 1.00 0.00 O ATOM 0 H ASP A 15 8.698 21.996 1.632 1.00 0.00 H new ATOM 0 HA ASP A 15 10.845 20.123 1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.502 21.922 3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.846 21.431 3.834 1.00 0.00 H new ATOM 260 N HIS A 16 7.760 19.157 2.674 1.00 0.00 N ATOM 261 CA HIS A 16 6.849 18.023 2.777 1.00 0.00 C ATOM 262 C HIS A 16 5.444 18.476 2.429 1.00 0.00 C ATOM 263 O HIS A 16 4.782 19.150 3.213 1.00 0.00 O ATOM 264 CB HIS A 16 6.873 17.401 4.189 1.00 0.00 C ATOM 265 CG HIS A 16 8.087 16.564 4.467 1.00 0.00 C ATOM 266 ND1 HIS A 16 9.219 17.055 5.073 1.00 0.00 N ATOM 267 CD2 HIS A 16 8.340 15.261 4.205 1.00 0.00 C ATOM 268 CE1 HIS A 16 10.116 16.095 5.172 1.00 0.00 C ATOM 269 NE2 HIS A 16 9.607 14.996 4.653 1.00 0.00 N ATOM 0 H HIS A 16 7.319 20.056 2.866 1.00 0.00 H new ATOM 0 HA HIS A 16 7.175 17.255 2.076 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.819 18.200 4.928 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.983 16.786 4.319 1.00 0.00 H new ATOM 0 HD1 HIS A 16 9.345 18.014 5.396 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.668 14.561 3.731 1.00 0.00 H new ATOM 0 HE1 HIS A 16 11.101 16.192 5.605 1.00 0.00 H new ATOM 278 N LEU A 17 5.009 18.114 1.238 1.00 0.00 N ATOM 279 CA LEU A 17 3.683 18.462 0.760 1.00 0.00 C ATOM 280 C LEU A 17 2.832 17.193 0.663 1.00 0.00 C ATOM 281 O LEU A 17 3.352 16.087 0.813 1.00 0.00 O ATOM 282 CB LEU A 17 3.789 19.147 -0.617 1.00 0.00 C ATOM 283 CG LEU A 17 2.483 19.699 -1.212 1.00 0.00 C ATOM 284 CD1 LEU A 17 1.931 20.831 -0.360 1.00 0.00 C ATOM 285 CD2 LEU A 17 2.705 20.162 -2.644 1.00 0.00 C ATOM 0 H LEU A 17 5.562 17.572 0.575 1.00 0.00 H new ATOM 0 HA LEU A 17 3.210 19.155 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.500 19.969 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.209 18.431 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 17 1.747 18.895 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.007 21.203 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.728 20.464 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.661 21.639 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.771 20.550 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.461 20.947 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.043 19.321 -3.250 1.00 0.00 H new ATOM 297 N LEU A 18 1.537 17.356 0.412 1.00 0.00 N ATOM 298 CA LEU A 18 0.615 16.226 0.286 1.00 0.00 C ATOM 299 C LEU A 18 1.096 15.232 -0.774 1.00 0.00 C ATOM 300 O LEU A 18 1.133 14.024 -0.536 1.00 0.00 O ATOM 301 CB LEU A 18 -0.789 16.729 -0.066 1.00 0.00 C ATOM 302 CG LEU A 18 -1.393 17.737 0.914 1.00 0.00 C ATOM 303 CD1 LEU A 18 -2.768 18.175 0.450 1.00 0.00 C ATOM 304 CD2 LEU A 18 -1.469 17.149 2.310 1.00 0.00 C ATOM 0 H LEU A 18 1.096 18.268 0.290 1.00 0.00 H new ATOM 0 HA LEU A 18 0.583 15.709 1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.755 17.186 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.457 15.870 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.743 18.612 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.181 18.892 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.689 18.642 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.424 17.307 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.901 17.882 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.093 16.256 2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.467 16.886 2.649 1.00 0.00 H new ATOM 316 N ILE A 19 1.475 15.752 -1.937 1.00 0.00 N ATOM 317 CA ILE A 19 1.975 14.914 -3.020 1.00 0.00 C ATOM 318 C ILE A 19 3.277 14.227 -2.625 1.00 0.00 C ATOM 319 O ILE A 19 3.483 13.062 -2.928 1.00 0.00 O ATOM 320 CB ILE A 19 2.167 15.726 -4.328 1.00 0.00 C ATOM 321 CG1 ILE A 19 0.805 16.086 -4.916 1.00 0.00 C ATOM 322 CG2 ILE A 19 3.000 14.952 -5.349 1.00 0.00 C ATOM 323 CD1 ILE A 19 -0.039 14.873 -5.282 1.00 0.00 C ATOM 0 H ILE A 19 1.445 16.748 -2.153 1.00 0.00 H new ATOM 0 HA ILE A 19 1.223 14.147 -3.208 1.00 0.00 H new ATOM 0 HB ILE A 19 2.709 16.640 -4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.258 16.696 -4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.953 16.698 -5.806 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.115 15.550 -6.253 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.983 14.737 -4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.498 14.016 -5.594 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.993 15.204 -5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.488 14.274 -6.024 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.218 14.272 -4.391 1.00 0.00 H new ATOM 335 N GLU A 20 4.134 14.955 -1.918 1.00 0.00 N ATOM 336 CA GLU A 20 5.409 14.413 -1.454 1.00 0.00 C ATOM 337 C GLU A 20 5.184 13.213 -0.535 1.00 0.00 C ATOM 338 O GLU A 20 5.969 12.262 -0.533 1.00 0.00 O ATOM 339 CB GLU A 20 6.209 15.488 -0.717 1.00 0.00 C ATOM 340 CG GLU A 20 6.610 16.666 -1.589 1.00 0.00 C ATOM 341 CD GLU A 20 7.598 16.280 -2.667 1.00 0.00 C ATOM 342 OE1 GLU A 20 8.807 16.211 -2.366 1.00 0.00 O ATOM 343 OE2 GLU A 20 7.176 16.051 -3.814 1.00 0.00 O ATOM 0 H GLU A 20 3.969 15.926 -1.652 1.00 0.00 H new ATOM 0 HA GLU A 20 5.975 14.084 -2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.618 15.855 0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.108 15.035 -0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.719 17.090 -2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.046 17.445 -0.963 1.00 0.00 H new ATOM 350 N GLN A 21 4.108 13.264 0.240 1.00 0.00 N ATOM 351 CA GLN A 21 3.770 12.175 1.138 1.00 0.00 C ATOM 352 C GLN A 21 3.282 10.969 0.343 1.00 0.00 C ATOM 353 O GLN A 21 3.776 9.855 0.522 1.00 0.00 O ATOM 354 CB GLN A 21 2.714 12.616 2.154 1.00 0.00 C ATOM 355 CG GLN A 21 2.425 11.576 3.225 1.00 0.00 C ATOM 356 CD GLN A 21 1.480 12.084 4.292 1.00 0.00 C ATOM 357 OE1 GLN A 21 0.263 11.933 4.191 1.00 0.00 O ATOM 358 NE2 GLN A 21 2.032 12.690 5.323 1.00 0.00 N ATOM 0 H GLN A 21 3.457 14.049 0.262 1.00 0.00 H new ATOM 0 HA GLN A 21 4.667 11.889 1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.046 13.536 2.634 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.789 12.848 1.626 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.996 10.689 2.758 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.362 11.270 3.691 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.045 12.795 5.370 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.446 13.054 6.074 1.00 0.00 H new ATOM 367 N ALA A 22 2.311 11.203 -0.543 1.00 0.00 N ATOM 368 CA ALA A 22 1.773 10.152 -1.408 1.00 0.00 C ATOM 369 C ALA A 22 2.873 9.514 -2.250 1.00 0.00 C ATOM 370 O ALA A 22 2.940 8.293 -2.386 1.00 0.00 O ATOM 371 CB ALA A 22 0.687 10.715 -2.310 1.00 0.00 C ATOM 0 H ALA A 22 1.880 12.117 -0.680 1.00 0.00 H new ATOM 0 HA ALA A 22 1.342 9.381 -0.770 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.296 9.922 -2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.120 11.120 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.105 11.507 -2.931 1.00 0.00 H new ATOM 377 N ASN A 23 3.739 10.363 -2.795 1.00 0.00 N ATOM 378 CA ASN A 23 4.860 9.927 -3.622 1.00 0.00 C ATOM 379 C ASN A 23 5.776 9.017 -2.808 1.00 0.00 C ATOM 380 O ASN A 23 6.291 8.018 -3.306 1.00 0.00 O ATOM 381 CB ASN A 23 5.638 11.154 -4.143 1.00 0.00 C ATOM 382 CG ASN A 23 6.610 10.835 -5.279 1.00 0.00 C ATOM 383 OD1 ASN A 23 7.169 9.745 -5.358 1.00 0.00 O ATOM 384 ND2 ASN A 23 6.813 11.797 -6.166 1.00 0.00 N ATOM 0 H ASN A 23 3.683 11.374 -2.676 1.00 0.00 H new ATOM 0 HA ASN A 23 4.482 9.368 -4.478 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.926 11.904 -4.487 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.193 11.597 -3.317 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.451 11.644 -6.947 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.331 12.691 -6.069 1.00 0.00 H new ATOM 391 N HIS A 24 5.943 9.355 -1.539 1.00 0.00 N ATOM 392 CA HIS A 24 6.770 8.568 -0.644 1.00 0.00 C ATOM 393 C HIS A 24 6.123 7.209 -0.375 1.00 0.00 C ATOM 394 O HIS A 24 6.798 6.178 -0.394 1.00 0.00 O ATOM 395 CB HIS A 24 6.999 9.324 0.674 1.00 0.00 C ATOM 396 CG HIS A 24 8.086 8.769 1.541 1.00 0.00 C ATOM 397 ND1 HIS A 24 7.899 8.433 2.861 1.00 0.00 N ATOM 398 CD2 HIS A 24 9.392 8.539 1.285 1.00 0.00 C ATOM 399 CE1 HIS A 24 9.041 8.026 3.375 1.00 0.00 C ATOM 400 NE2 HIS A 24 9.963 8.080 2.440 1.00 0.00 N ATOM 0 H HIS A 24 5.514 10.173 -1.106 1.00 0.00 H new ATOM 0 HA HIS A 24 7.736 8.401 -1.121 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.234 10.363 0.443 1.00 0.00 H new ATOM 0 HB3 HIS A 24 6.068 9.326 1.241 1.00 0.00 H new ATOM 0 HD2 HIS A 24 9.894 8.690 0.341 1.00 0.00 H new ATOM 0 HE1 HIS A 24 9.194 7.702 4.394 1.00 0.00 H new ATOM 0 HE2 HIS A 24 10.943 7.822 2.556 1.00 0.00 H new ATOM 409 N ALA A 25 4.811 7.212 -0.133 1.00 0.00 N ATOM 410 CA ALA A 25 4.073 5.986 0.140 1.00 0.00 C ATOM 411 C ALA A 25 4.066 5.034 -1.054 1.00 0.00 C ATOM 412 O ALA A 25 4.339 3.839 -0.896 1.00 0.00 O ATOM 413 CB ALA A 25 2.649 6.315 0.565 1.00 0.00 C ATOM 0 H ALA A 25 4.239 8.056 -0.121 1.00 0.00 H new ATOM 0 HA ALA A 25 4.585 5.473 0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.107 5.391 0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.671 6.927 1.467 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.148 6.863 -0.233 1.00 0.00 H new ATOM 419 N ILE A 26 3.758 5.551 -2.247 1.00 0.00 N ATOM 420 CA ILE A 26 3.712 4.708 -3.445 1.00 0.00 C ATOM 421 C ILE A 26 5.093 4.149 -3.777 1.00 0.00 C ATOM 422 O ILE A 26 5.215 3.004 -4.211 1.00 0.00 O ATOM 423 CB ILE A 26 3.119 5.439 -4.682 1.00 0.00 C ATOM 424 CG1 ILE A 26 3.922 6.699 -5.022 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.651 5.780 -4.440 1.00 0.00 C ATOM 426 CD1 ILE A 26 3.441 7.420 -6.267 1.00 0.00 C ATOM 0 H ILE A 26 3.540 6.534 -2.408 1.00 0.00 H new ATOM 0 HA ILE A 26 3.039 3.884 -3.207 1.00 0.00 H new ATOM 0 HB ILE A 26 3.185 4.767 -5.538 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.876 7.386 -4.177 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.969 6.426 -5.155 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.248 6.292 -5.314 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.089 4.863 -4.265 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.567 6.429 -3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.060 8.300 -6.440 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.513 6.752 -7.125 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.404 7.727 -6.132 1.00 0.00 H new ATOM 438 N GLU A 27 6.126 4.955 -3.555 1.00 0.00 N ATOM 439 CA GLU A 27 7.502 4.516 -3.756 1.00 0.00 C ATOM 440 C GLU A 27 7.797 3.316 -2.852 1.00 0.00 C ATOM 441 O GLU A 27 8.359 2.296 -3.299 1.00 0.00 O ATOM 442 CB GLU A 27 8.471 5.682 -3.461 1.00 0.00 C ATOM 443 CG GLU A 27 9.948 5.311 -3.407 1.00 0.00 C ATOM 444 CD GLU A 27 10.462 5.203 -1.984 1.00 0.00 C ATOM 445 OE1 GLU A 27 10.602 6.259 -1.317 1.00 0.00 O ATOM 446 OE2 GLU A 27 10.722 4.070 -1.520 1.00 0.00 O ATOM 0 H GLU A 27 6.035 5.919 -3.235 1.00 0.00 H new ATOM 0 HA GLU A 27 7.641 4.209 -4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.334 6.447 -4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.192 6.131 -2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.101 4.361 -3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.529 6.060 -3.945 1.00 0.00 H new ATOM 453 N LYS A 28 7.383 3.425 -1.595 1.00 0.00 N ATOM 454 CA LYS A 28 7.557 2.346 -0.642 1.00 0.00 C ATOM 455 C LYS A 28 6.708 1.145 -1.062 1.00 0.00 C ATOM 456 O LYS A 28 7.162 -0.001 -0.996 1.00 0.00 O ATOM 457 CB LYS A 28 7.174 2.820 0.771 1.00 0.00 C ATOM 458 CG LYS A 28 7.670 1.920 1.910 1.00 0.00 C ATOM 459 CD LYS A 28 6.738 0.736 2.202 1.00 0.00 C ATOM 460 CE LYS A 28 5.485 1.159 2.964 1.00 0.00 C ATOM 461 NZ LYS A 28 4.402 1.625 2.063 1.00 0.00 N ATOM 0 H LYS A 28 6.924 4.253 -1.216 1.00 0.00 H new ATOM 0 HA LYS A 28 8.604 2.043 -0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.571 3.824 0.922 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.088 2.894 0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.660 1.540 1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.779 2.518 2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.448 0.265 1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.277 -0.014 2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.123 0.319 3.557 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.740 1.956 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.551 1.836 2.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.711 2.484 1.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.184 0.882 1.369 1.00 0.00 H new ATOM 475 N GLY A 29 5.475 1.418 -1.510 1.00 0.00 N ATOM 476 CA GLY A 29 4.581 0.363 -1.950 1.00 0.00 C ATOM 477 C GLY A 29 5.151 -0.440 -3.095 1.00 0.00 C ATOM 478 O GLY A 29 5.087 -1.663 -3.094 1.00 0.00 O ATOM 0 H GLY A 29 5.085 2.358 -1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.371 -0.303 -1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.631 0.801 -2.255 1.00 0.00 H new ATOM 482 N GLU A 30 5.713 0.261 -4.070 1.00 0.00 N ATOM 483 CA GLU A 30 6.321 -0.374 -5.230 1.00 0.00 C ATOM 484 C GLU A 30 7.417 -1.342 -4.800 1.00 0.00 C ATOM 485 O GLU A 30 7.467 -2.490 -5.245 1.00 0.00 O ATOM 486 CB GLU A 30 6.898 0.679 -6.183 1.00 0.00 C ATOM 487 CG GLU A 30 7.679 0.090 -7.351 1.00 0.00 C ATOM 488 CD GLU A 30 8.319 1.146 -8.221 1.00 0.00 C ATOM 489 OE1 GLU A 30 8.831 2.142 -7.670 1.00 0.00 O ATOM 490 OE2 GLU A 30 8.333 0.978 -9.460 1.00 0.00 O ATOM 0 H GLU A 30 5.760 1.280 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 30 5.545 -0.933 -5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.082 1.288 -6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.552 1.345 -5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.453 -0.575 -6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.010 -0.518 -7.959 1.00 0.00 H new ATOM 497 N HIS A 31 8.270 -0.873 -3.898 1.00 0.00 N ATOM 498 CA HIS A 31 9.400 -1.656 -3.421 1.00 0.00 C ATOM 499 C HIS A 31 8.939 -2.920 -2.677 1.00 0.00 C ATOM 500 O HIS A 31 9.460 -4.011 -2.902 1.00 0.00 O ATOM 501 CB HIS A 31 10.279 -0.792 -2.515 1.00 0.00 C ATOM 502 CG HIS A 31 11.580 -1.429 -2.132 1.00 0.00 C ATOM 503 ND1 HIS A 31 11.831 -1.926 -0.876 1.00 0.00 N ATOM 504 CD2 HIS A 31 12.710 -1.636 -2.847 1.00 0.00 C ATOM 505 CE1 HIS A 31 13.054 -2.410 -0.831 1.00 0.00 C ATOM 506 NE2 HIS A 31 13.608 -2.246 -2.015 1.00 0.00 N ATOM 0 H HIS A 31 8.198 0.054 -3.480 1.00 0.00 H new ATOM 0 HA HIS A 31 9.980 -1.980 -4.285 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.484 0.152 -3.020 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.723 -0.554 -1.608 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.872 -1.369 -3.881 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.523 -2.864 0.029 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.554 -2.528 -2.270 1.00 0.00 H new ATOM 515 N GLN A 32 7.960 -2.766 -1.809 1.00 0.00 N ATOM 516 CA GLN A 32 7.462 -3.897 -1.035 1.00 0.00 C ATOM 517 C GLN A 32 6.640 -4.853 -1.903 1.00 0.00 C ATOM 518 O GLN A 32 6.644 -6.059 -1.670 1.00 0.00 O ATOM 519 CB GLN A 32 6.660 -3.422 0.179 1.00 0.00 C ATOM 520 CG GLN A 32 5.414 -2.629 -0.158 1.00 0.00 C ATOM 521 CD GLN A 32 4.750 -2.052 1.071 1.00 0.00 C ATOM 522 OE1 GLN A 32 4.109 -0.997 1.011 1.00 0.00 O ATOM 523 NE2 GLN A 32 4.905 -2.727 2.194 1.00 0.00 N ATOM 0 H GLN A 32 7.493 -1.879 -1.619 1.00 0.00 H new ATOM 0 HA GLN A 32 8.326 -4.451 -0.669 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.372 -4.291 0.770 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.306 -2.809 0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.675 -1.820 -0.841 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.707 -3.273 -0.682 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.442 -3.594 2.198 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.487 -2.382 3.058 1.00 0.00 H new ATOM 532 N LEU A 33 5.954 -4.320 -2.909 1.00 0.00 N ATOM 533 CA LEU A 33 5.172 -5.150 -3.821 1.00 0.00 C ATOM 534 C LEU A 33 6.097 -6.061 -4.616 1.00 0.00 C ATOM 535 O LEU A 33 5.877 -7.272 -4.687 1.00 0.00 O ATOM 536 CB LEU A 33 4.309 -4.262 -4.753 1.00 0.00 C ATOM 537 CG LEU A 33 3.441 -4.976 -5.829 1.00 0.00 C ATOM 538 CD1 LEU A 33 4.237 -5.225 -7.101 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.868 -6.290 -5.301 1.00 0.00 C ATOM 0 H LEU A 33 5.923 -3.321 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 33 4.494 -5.778 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.645 -3.665 -4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.974 -3.567 -5.265 1.00 0.00 H new ATOM 0 HG LEU A 33 2.610 -4.311 -6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.604 -5.725 -7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.581 -4.274 -7.507 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.097 -5.855 -6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.267 -6.763 -6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.684 -6.955 -5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.244 -6.091 -4.430 1.00 0.00 H new ATOM 551 N LEU A 34 7.152 -5.481 -5.178 1.00 0.00 N ATOM 552 CA LEU A 34 8.104 -6.261 -5.955 1.00 0.00 C ATOM 553 C LEU A 34 8.808 -7.276 -5.055 1.00 0.00 C ATOM 554 O LEU A 34 9.253 -8.331 -5.517 1.00 0.00 O ATOM 555 CB LEU A 34 9.114 -5.351 -6.705 1.00 0.00 C ATOM 556 CG LEU A 34 10.037 -4.460 -5.852 1.00 0.00 C ATOM 557 CD1 LEU A 34 11.252 -5.233 -5.353 1.00 0.00 C ATOM 558 CD2 LEU A 34 10.474 -3.238 -6.643 1.00 0.00 C ATOM 0 H LEU A 34 7.367 -4.486 -5.111 1.00 0.00 H new ATOM 0 HA LEU A 34 7.556 -6.810 -6.721 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.742 -5.988 -7.328 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.550 -4.705 -7.377 1.00 0.00 H new ATOM 0 HG LEU A 34 9.470 -4.132 -4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.882 -4.574 -4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.923 -6.074 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.822 -5.605 -6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.125 -2.619 -6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.014 -3.556 -7.535 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.597 -2.661 -6.936 1.00 0.00 H new ATOM 570 N TYR A 35 8.902 -6.949 -3.764 1.00 0.00 N ATOM 571 CA TYR A 35 9.487 -7.857 -2.800 1.00 0.00 C ATOM 572 C TYR A 35 8.586 -9.067 -2.564 1.00 0.00 C ATOM 573 O TYR A 35 9.001 -10.214 -2.752 1.00 0.00 O ATOM 574 CB TYR A 35 9.791 -7.175 -1.460 1.00 0.00 C ATOM 575 CG TYR A 35 10.236 -8.167 -0.395 1.00 0.00 C ATOM 576 CD1 TYR A 35 11.538 -8.647 -0.366 1.00 0.00 C ATOM 577 CD2 TYR A 35 9.343 -8.646 0.561 1.00 0.00 C ATOM 578 CE1 TYR A 35 11.939 -9.572 0.581 1.00 0.00 C ATOM 579 CE2 TYR A 35 9.739 -9.567 1.510 1.00 0.00 C ATOM 580 CZ TYR A 35 11.035 -10.028 1.515 1.00 0.00 C ATOM 581 OH TYR A 35 11.429 -10.951 2.457 1.00 0.00 O ATOM 0 H TYR A 35 8.579 -6.064 -3.372 1.00 0.00 H new ATOM 0 HA TYR A 35 10.432 -8.189 -3.230 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.570 -6.426 -1.604 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.902 -6.647 -1.113 1.00 0.00 H new ATOM 0 HD1 TYR A 35 12.251 -8.292 -1.096 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.323 -8.291 0.560 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.956 -9.935 0.588 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.034 -9.924 2.246 1.00 0.00 H new ATOM 0 HH TYR A 35 10.672 -11.166 3.041 1.00 0.00 H new ATOM 591 N LEU A 36 7.333 -8.797 -2.159 1.00 0.00 N ATOM 592 CA LEU A 36 6.372 -9.843 -1.805 1.00 0.00 C ATOM 593 C LEU A 36 6.058 -10.733 -2.992 1.00 0.00 C ATOM 594 O LEU A 36 5.855 -11.930 -2.834 1.00 0.00 O ATOM 595 CB LEU A 36 5.082 -9.208 -1.268 1.00 0.00 C ATOM 596 CG LEU A 36 5.242 -8.310 -0.031 1.00 0.00 C ATOM 597 CD1 LEU A 36 3.941 -7.585 0.277 1.00 0.00 C ATOM 598 CD2 LEU A 36 5.691 -9.125 1.171 1.00 0.00 C ATOM 0 H LEU A 36 6.964 -7.850 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 36 6.821 -10.465 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.631 -8.618 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.380 -10.006 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 36 6.009 -7.567 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.075 -6.955 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.659 -6.965 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.155 -8.315 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.798 -8.470 2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.949 -9.893 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.649 -9.597 0.953 1.00 0.00 H new ATOM 610 N GLN A 37 6.009 -10.138 -4.180 1.00 0.00 N ATOM 611 CA GLN A 37 5.741 -10.890 -5.397 1.00 0.00 C ATOM 612 C GLN A 37 6.821 -11.966 -5.577 1.00 0.00 C ATOM 613 O GLN A 37 6.531 -13.110 -5.942 1.00 0.00 O ATOM 614 CB GLN A 37 5.727 -9.944 -6.601 1.00 0.00 C ATOM 615 CG GLN A 37 5.149 -10.552 -7.870 1.00 0.00 C ATOM 616 CD GLN A 37 3.657 -10.838 -7.766 1.00 0.00 C ATOM 617 OE1 GLN A 37 3.241 -11.923 -7.354 1.00 0.00 O ATOM 618 NE2 GLN A 37 2.848 -9.867 -8.146 1.00 0.00 N ATOM 0 H GLN A 37 6.151 -9.138 -4.324 1.00 0.00 H new ATOM 0 HA GLN A 37 4.766 -11.371 -5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.151 -9.055 -6.343 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.747 -9.615 -6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.326 -9.874 -8.705 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.676 -11.479 -8.095 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.233 -8.984 -8.481 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.837 -10.000 -8.105 1.00 0.00 H new ATOM 627 N HIS A 38 8.065 -11.596 -5.284 1.00 0.00 N ATOM 628 CA HIS A 38 9.174 -12.532 -5.362 1.00 0.00 C ATOM 629 C HIS A 38 9.067 -13.571 -4.243 1.00 0.00 C ATOM 630 O HIS A 38 9.433 -14.740 -4.423 1.00 0.00 O ATOM 631 CB HIS A 38 10.517 -11.800 -5.283 1.00 0.00 C ATOM 632 CG HIS A 38 11.687 -12.693 -5.546 1.00 0.00 C ATOM 633 ND1 HIS A 38 12.208 -12.893 -6.801 1.00 0.00 N ATOM 634 CD2 HIS A 38 12.420 -13.463 -4.712 1.00 0.00 C ATOM 635 CE1 HIS A 38 13.205 -13.745 -6.729 1.00 0.00 C ATOM 636 NE2 HIS A 38 13.357 -14.107 -5.472 1.00 0.00 N ATOM 0 H HIS A 38 8.326 -10.655 -4.991 1.00 0.00 H new ATOM 0 HA HIS A 38 9.124 -13.042 -6.324 1.00 0.00 H new ATOM 0 HB2 HIS A 38 10.522 -10.983 -6.004 1.00 0.00 H new ATOM 0 HB3 HIS A 38 10.623 -11.353 -4.294 1.00 0.00 H new ATOM 0 HD2 HIS A 38 12.290 -13.553 -3.644 1.00 0.00 H new ATOM 0 HE1 HIS A 38 13.800 -14.091 -7.561 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.058 -14.760 -5.123 1.00 0.00 H new ATOM 645 N GLN A 39 8.550 -13.143 -3.092 1.00 0.00 N ATOM 646 CA GLN A 39 8.372 -14.028 -1.953 1.00 0.00 C ATOM 647 C GLN A 39 7.343 -15.091 -2.320 1.00 0.00 C ATOM 648 O GLN A 39 7.506 -16.272 -2.023 1.00 0.00 O ATOM 649 CB GLN A 39 7.885 -13.212 -0.745 1.00 0.00 C ATOM 650 CG GLN A 39 8.223 -13.808 0.604 1.00 0.00 C ATOM 651 CD GLN A 39 7.655 -12.992 1.753 1.00 0.00 C ATOM 652 OE1 GLN A 39 6.629 -12.335 1.610 1.00 0.00 O ATOM 653 NE2 GLN A 39 8.315 -13.038 2.892 1.00 0.00 N ATOM 0 H GLN A 39 8.247 -12.183 -2.928 1.00 0.00 H new ATOM 0 HA GLN A 39 9.316 -14.508 -1.694 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.316 -12.212 -0.803 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.803 -13.097 -0.815 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.835 -14.825 0.657 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.306 -13.874 0.709 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.164 -13.598 2.967 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.977 -12.514 3.699 1.00 0.00 H new ATOM 662 N LEU A 40 6.267 -14.633 -2.959 1.00 0.00 N ATOM 663 CA LEU A 40 5.214 -15.497 -3.476 1.00 0.00 C ATOM 664 C LEU A 40 5.784 -16.567 -4.396 1.00 0.00 C ATOM 665 O LEU A 40 5.358 -17.722 -4.355 1.00 0.00 O ATOM 666 CB LEU A 40 4.169 -14.671 -4.228 1.00 0.00 C ATOM 667 CG LEU A 40 2.748 -14.732 -3.672 1.00 0.00 C ATOM 668 CD1 LEU A 40 2.241 -16.165 -3.663 1.00 0.00 C ATOM 669 CD2 LEU A 40 2.699 -14.138 -2.277 1.00 0.00 C ATOM 0 H LEU A 40 6.103 -13.641 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 40 4.740 -15.989 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.492 -13.630 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.148 -15.004 -5.266 1.00 0.00 H new ATOM 0 HG LEU A 40 2.098 -14.143 -4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.227 -16.190 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.240 -16.557 -4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.892 -16.777 -3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.679 -14.189 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.362 -14.700 -1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.021 -13.097 -2.313 1.00 0.00 H new ATOM 681 N ASP A 41 6.737 -16.176 -5.234 1.00 0.00 N ATOM 682 CA ASP A 41 7.388 -17.117 -6.148 1.00 0.00 C ATOM 683 C ASP A 41 8.064 -18.237 -5.352 1.00 0.00 C ATOM 684 O ASP A 41 8.008 -19.409 -5.725 1.00 0.00 O ATOM 685 CB ASP A 41 8.411 -16.392 -7.028 1.00 0.00 C ATOM 686 CG ASP A 41 8.989 -17.282 -8.107 1.00 0.00 C ATOM 687 OD1 ASP A 41 9.963 -18.001 -7.832 1.00 0.00 O ATOM 688 OD2 ASP A 41 8.470 -17.258 -9.252 1.00 0.00 O ATOM 0 H ASP A 41 7.078 -15.217 -5.302 1.00 0.00 H new ATOM 0 HA ASP A 41 6.630 -17.555 -6.797 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.937 -15.527 -7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.220 -16.015 -6.402 1.00 0.00 H new ATOM 693 N GLU A 42 8.673 -17.853 -4.234 1.00 0.00 N ATOM 694 CA GLU A 42 9.314 -18.804 -3.331 1.00 0.00 C ATOM 695 C GLU A 42 8.241 -19.696 -2.687 1.00 0.00 C ATOM 696 O GLU A 42 8.392 -20.915 -2.585 1.00 0.00 O ATOM 697 CB GLU A 42 10.103 -18.049 -2.255 1.00 0.00 C ATOM 698 CG GLU A 42 10.778 -18.943 -1.232 1.00 0.00 C ATOM 699 CD GLU A 42 11.743 -19.921 -1.859 1.00 0.00 C ATOM 700 OE1 GLU A 42 12.798 -19.481 -2.364 1.00 0.00 O ATOM 701 OE2 GLU A 42 11.460 -21.133 -1.845 1.00 0.00 O ATOM 0 H GLU A 42 8.736 -16.881 -3.930 1.00 0.00 H new ATOM 0 HA GLU A 42 10.008 -19.432 -3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.862 -17.436 -2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.428 -17.369 -1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.312 -18.324 -0.511 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.017 -19.494 -0.679 1.00 0.00 H new ATOM 708 N LEU A 43 7.158 -19.055 -2.259 1.00 0.00 N ATOM 709 CA LEU A 43 6.017 -19.755 -1.669 1.00 0.00 C ATOM 710 C LEU A 43 5.484 -20.830 -2.622 1.00 0.00 C ATOM 711 O LEU A 43 5.066 -21.894 -2.193 1.00 0.00 O ATOM 712 CB LEU A 43 4.893 -18.784 -1.310 1.00 0.00 C ATOM 713 CG LEU A 43 3.692 -19.411 -0.596 1.00 0.00 C ATOM 714 CD1 LEU A 43 4.067 -19.856 0.800 1.00 0.00 C ATOM 715 CD2 LEU A 43 2.520 -18.451 -0.562 1.00 0.00 C ATOM 0 H LEU A 43 7.044 -18.043 -2.310 1.00 0.00 H new ATOM 0 HA LEU A 43 6.368 -20.232 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.303 -17.998 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.542 -18.305 -2.224 1.00 0.00 H new ATOM 0 HG LEU A 43 3.387 -20.292 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.198 -20.298 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.866 -20.595 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.408 -18.996 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.680 -18.920 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.808 -17.544 -0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.228 -18.197 -1.581 1.00 0.00 H new ATOM 727 N ASN A 44 5.508 -20.533 -3.912 1.00 0.00 N ATOM 728 CA ASN A 44 5.069 -21.480 -4.943 1.00 0.00 C ATOM 729 C ASN A 44 5.936 -22.735 -4.940 1.00 0.00 C ATOM 730 O ASN A 44 5.468 -23.837 -5.223 1.00 0.00 O ATOM 731 CB ASN A 44 5.107 -20.824 -6.330 1.00 0.00 C ATOM 732 CG ASN A 44 3.826 -20.092 -6.679 1.00 0.00 C ATOM 733 OD1 ASN A 44 2.913 -20.668 -7.262 1.00 0.00 O ATOM 734 ND2 ASN A 44 3.740 -18.828 -6.321 1.00 0.00 N ATOM 0 H ASN A 44 5.829 -19.637 -4.279 1.00 0.00 H new ATOM 0 HA ASN A 44 4.043 -21.768 -4.714 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.941 -20.123 -6.371 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.297 -21.590 -7.082 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.895 -18.296 -6.527 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.519 -18.381 -5.837 1.00 0.00 H new ATOM 741 N GLU A 45 7.201 -22.553 -4.622 1.00 0.00 N ATOM 742 CA GLU A 45 8.153 -23.646 -4.614 1.00 0.00 C ATOM 743 C GLU A 45 8.148 -24.405 -3.276 1.00 0.00 C ATOM 744 O GLU A 45 8.079 -25.631 -3.253 1.00 0.00 O ATOM 745 CB GLU A 45 9.555 -23.115 -4.914 1.00 0.00 C ATOM 746 CG GLU A 45 10.572 -24.199 -5.211 1.00 0.00 C ATOM 747 CD GLU A 45 10.245 -24.959 -6.475 1.00 0.00 C ATOM 748 OE1 GLU A 45 9.361 -25.833 -6.437 1.00 0.00 O ATOM 749 OE2 GLU A 45 10.877 -24.690 -7.515 1.00 0.00 O ATOM 0 H GLU A 45 7.597 -21.649 -4.363 1.00 0.00 H new ATOM 0 HA GLU A 45 7.855 -24.352 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.502 -22.437 -5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.901 -22.529 -4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.561 -23.751 -5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.615 -24.894 -4.372 1.00 0.00 H new ATOM 756 N ASN A 46 8.211 -23.674 -2.174 1.00 0.00 N ATOM 757 CA ASN A 46 8.276 -24.298 -0.843 1.00 0.00 C ATOM 758 C ASN A 46 6.887 -24.777 -0.379 1.00 0.00 C ATOM 759 O ASN A 46 6.765 -25.766 0.342 1.00 0.00 O ATOM 760 CB ASN A 46 8.902 -23.327 0.174 1.00 0.00 C ATOM 761 CG ASN A 46 9.184 -23.976 1.521 1.00 0.00 C ATOM 762 OD1 ASN A 46 9.337 -25.194 1.622 1.00 0.00 O ATOM 763 ND2 ASN A 46 9.290 -23.165 2.557 1.00 0.00 N ATOM 0 H ASN A 46 8.219 -22.654 -2.164 1.00 0.00 H new ATOM 0 HA ASN A 46 8.914 -25.179 -0.911 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.832 -22.932 -0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.232 -22.479 0.319 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.505 -23.542 3.480 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.157 -22.161 2.435 1.00 0.00 H new ATOM 770 N LYS A 47 5.854 -24.053 -0.821 1.00 0.00 N ATOM 771 CA LYS A 47 4.446 -24.340 -0.456 1.00 0.00 C ATOM 772 C LYS A 47 4.266 -24.294 1.079 1.00 0.00 C ATOM 773 O LYS A 47 3.339 -24.882 1.629 1.00 0.00 O ATOM 774 CB LYS A 47 4.053 -25.731 -0.975 1.00 0.00 C ATOM 775 CG LYS A 47 2.584 -25.859 -1.373 1.00 0.00 C ATOM 776 CD LYS A 47 2.205 -24.870 -2.479 1.00 0.00 C ATOM 777 CE LYS A 47 3.001 -25.108 -3.755 1.00 0.00 C ATOM 778 NZ LYS A 47 2.620 -26.373 -4.420 1.00 0.00 N ATOM 0 H LYS A 47 5.961 -23.251 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 47 3.806 -23.583 -0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.674 -25.973 -1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.275 -26.470 -0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.387 -26.876 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.955 -25.686 -0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.140 -24.958 -2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.377 -23.852 -2.129 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.843 -24.276 -4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.065 -25.129 -3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.137 -26.462 -5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.858 -27.175 -3.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.597 -26.372 -4.608 1.00 0.00 H new ATOM 792 N SER A 48 5.167 -23.594 1.742 1.00 0.00 N ATOM 793 CA SER A 48 5.146 -23.479 3.198 1.00 0.00 C ATOM 794 C SER A 48 3.886 -22.786 3.694 1.00 0.00 C ATOM 795 O SER A 48 3.627 -21.633 3.354 1.00 0.00 O ATOM 796 CB SER A 48 6.387 -22.744 3.700 1.00 0.00 C ATOM 797 OG SER A 48 6.285 -22.431 5.082 1.00 0.00 O ATOM 0 H SER A 48 5.932 -23.090 1.295 1.00 0.00 H new ATOM 0 HA SER A 48 5.148 -24.492 3.602 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.270 -23.361 3.530 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.524 -21.827 3.128 1.00 0.00 H new ATOM 0 HG SER A 48 7.096 -21.963 5.372 1.00 0.00 H new ATOM 803 N LYS A 49 3.102 -23.497 4.497 1.00 0.00 N ATOM 804 CA LYS A 49 1.898 -22.936 5.077 1.00 0.00 C ATOM 805 C LYS A 49 2.246 -21.771 6.010 1.00 0.00 C ATOM 806 O LYS A 49 1.552 -20.759 6.039 1.00 0.00 O ATOM 807 CB LYS A 49 1.075 -24.009 5.832 1.00 0.00 C ATOM 808 CG LYS A 49 1.856 -24.821 6.860 1.00 0.00 C ATOM 809 CD LYS A 49 2.503 -26.047 6.230 1.00 0.00 C ATOM 810 CE LYS A 49 3.143 -26.941 7.271 1.00 0.00 C ATOM 811 NZ LYS A 49 2.148 -27.457 8.242 1.00 0.00 N ATOM 0 H LYS A 49 3.284 -24.466 4.759 1.00 0.00 H new ATOM 0 HA LYS A 49 1.281 -22.561 4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.243 -23.518 6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.645 -24.694 5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.625 -24.194 7.312 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.187 -25.133 7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.752 -26.612 5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.257 -25.730 5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.637 -27.778 6.777 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.915 -26.385 7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.561 -28.250 8.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.882 -26.699 8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.303 -27.785 7.732 1.00 0.00 H new ATOM 825 N GLU A 50 3.326 -21.933 6.779 1.00 0.00 N ATOM 826 CA GLU A 50 3.805 -20.879 7.671 1.00 0.00 C ATOM 827 C GLU A 50 4.223 -19.647 6.880 1.00 0.00 C ATOM 828 O GLU A 50 3.862 -18.527 7.243 1.00 0.00 O ATOM 829 CB GLU A 50 4.970 -21.386 8.512 1.00 0.00 C ATOM 830 CG GLU A 50 4.610 -22.563 9.402 1.00 0.00 C ATOM 831 CD GLU A 50 5.821 -23.204 10.027 1.00 0.00 C ATOM 832 OE1 GLU A 50 6.268 -22.730 11.089 1.00 0.00 O ATOM 833 OE2 GLU A 50 6.336 -24.185 9.456 1.00 0.00 O ATOM 0 H GLU A 50 3.885 -22.786 6.800 1.00 0.00 H new ATOM 0 HA GLU A 50 2.988 -20.598 8.335 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.785 -21.678 7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.340 -20.571 9.134 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.934 -22.227 10.188 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.071 -23.307 8.815 1.00 0.00 H new ATOM 840 N LEU A 51 4.978 -19.847 5.804 1.00 0.00 N ATOM 841 CA LEU A 51 5.362 -18.719 4.956 1.00 0.00 C ATOM 842 C LEU A 51 4.108 -18.059 4.406 1.00 0.00 C ATOM 843 O LEU A 51 4.006 -16.841 4.370 1.00 0.00 O ATOM 844 CB LEU A 51 6.286 -19.149 3.804 1.00 0.00 C ATOM 845 CG LEU A 51 6.666 -18.038 2.801 1.00 0.00 C ATOM 846 CD1 LEU A 51 7.426 -16.908 3.485 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.480 -18.605 1.650 1.00 0.00 C ATOM 0 H LEU A 51 5.330 -20.755 5.502 1.00 0.00 H new ATOM 0 HA LEU A 51 5.922 -18.010 5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.202 -19.557 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.802 -19.957 3.256 1.00 0.00 H new ATOM 0 HG LEU A 51 5.740 -17.626 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.678 -16.143 2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.803 -16.471 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.341 -17.301 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.736 -17.804 0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.394 -19.055 2.038 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.895 -19.363 1.129 1.00 0.00 H new ATOM 859 N GLN A 52 3.141 -18.888 4.020 1.00 0.00 N ATOM 860 CA GLN A 52 1.857 -18.398 3.538 1.00 0.00 C ATOM 861 C GLN A 52 1.208 -17.477 4.572 1.00 0.00 C ATOM 862 O GLN A 52 0.783 -16.370 4.245 1.00 0.00 O ATOM 863 CB GLN A 52 0.920 -19.566 3.237 1.00 0.00 C ATOM 864 CG GLN A 52 -0.485 -19.144 2.841 1.00 0.00 C ATOM 865 CD GLN A 52 -1.452 -20.301 2.842 1.00 0.00 C ATOM 866 OE1 GLN A 52 -1.631 -20.976 1.837 1.00 0.00 O ATOM 867 NE2 GLN A 52 -2.079 -20.545 3.977 1.00 0.00 N ATOM 0 H GLN A 52 3.225 -19.904 4.033 1.00 0.00 H new ATOM 0 HA GLN A 52 2.034 -17.834 2.622 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.349 -20.165 2.433 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.862 -20.208 4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.839 -18.377 3.530 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.461 -18.695 1.848 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.903 -19.959 4.793 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.740 -21.319 4.038 1.00 0.00 H new ATOM 876 N GLU A 53 1.149 -17.934 5.824 1.00 0.00 N ATOM 877 CA GLU A 53 0.548 -17.174 6.890 1.00 0.00 C ATOM 878 C GLU A 53 1.277 -15.850 7.112 1.00 0.00 C ATOM 879 O GLU A 53 0.643 -14.802 7.218 1.00 0.00 O ATOM 880 CB GLU A 53 0.518 -18.003 8.172 1.00 0.00 C ATOM 881 CG GLU A 53 -0.153 -17.301 9.325 1.00 0.00 C ATOM 882 CD GLU A 53 -0.325 -18.192 10.533 1.00 0.00 C ATOM 883 OE1 GLU A 53 0.625 -18.321 11.323 1.00 0.00 O ATOM 884 OE2 GLU A 53 -1.422 -18.764 10.702 1.00 0.00 O ATOM 0 H GLU A 53 1.519 -18.839 6.114 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.476 -16.935 6.603 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.001 -18.942 7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.539 -18.256 8.456 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.436 -16.427 9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.130 -16.938 9.005 1.00 0.00 H new ATOM 891 N LYS A 54 2.609 -15.899 7.175 1.00 0.00 N ATOM 892 CA LYS A 54 3.416 -14.685 7.358 1.00 0.00 C ATOM 893 C LYS A 54 3.154 -13.713 6.211 1.00 0.00 C ATOM 894 O LYS A 54 3.029 -12.509 6.421 1.00 0.00 O ATOM 895 CB LYS A 54 4.912 -15.033 7.413 1.00 0.00 C ATOM 896 CG LYS A 54 5.280 -16.068 8.474 1.00 0.00 C ATOM 897 CD LYS A 54 4.965 -15.586 9.887 1.00 0.00 C ATOM 898 CE LYS A 54 5.860 -14.426 10.304 1.00 0.00 C ATOM 899 NZ LYS A 54 7.298 -14.798 10.294 1.00 0.00 N ATOM 0 H LYS A 54 3.152 -16.760 7.103 1.00 0.00 H new ATOM 0 HA LYS A 54 3.133 -14.218 8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.222 -15.405 6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.478 -14.121 7.601 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.738 -16.993 8.279 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.343 -16.299 8.400 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.921 -15.277 9.941 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.090 -16.411 10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.699 -13.584 9.630 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.579 -14.093 11.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.845 -14.084 10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.420 -15.726 10.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.638 -14.844 9.312 1.00 0.00 H new ATOM 913 N ILE A 55 3.056 -14.259 5.014 1.00 0.00 N ATOM 914 CA ILE A 55 2.769 -13.459 3.834 1.00 0.00 C ATOM 915 C ILE A 55 1.394 -12.802 3.964 1.00 0.00 C ATOM 916 O ILE A 55 1.256 -11.607 3.751 1.00 0.00 O ATOM 917 CB ILE A 55 2.854 -14.288 2.525 1.00 0.00 C ATOM 918 CG1 ILE A 55 4.313 -14.676 2.250 1.00 0.00 C ATOM 919 CG2 ILE A 55 2.275 -13.506 1.348 1.00 0.00 C ATOM 920 CD1 ILE A 55 4.502 -15.546 1.026 1.00 0.00 C ATOM 0 H ILE A 55 3.171 -15.256 4.831 1.00 0.00 H new ATOM 0 HA ILE A 55 3.534 -12.685 3.771 1.00 0.00 H new ATOM 0 HB ILE A 55 2.263 -15.196 2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.903 -13.767 2.131 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.708 -15.201 3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.346 -14.107 0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.229 -13.271 1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.836 -12.581 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.560 -15.775 0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.942 -16.473 1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.140 -15.017 0.144 1.00 0.00 H new ATOM 932 N ILE A 56 0.391 -13.592 4.346 1.00 0.00 N ATOM 933 CA ILE A 56 -0.969 -13.078 4.552 1.00 0.00 C ATOM 934 C ILE A 56 -0.978 -11.996 5.634 1.00 0.00 C ATOM 935 O ILE A 56 -1.610 -10.952 5.480 1.00 0.00 O ATOM 936 CB ILE A 56 -1.945 -14.217 4.975 1.00 0.00 C ATOM 937 CG1 ILE A 56 -2.111 -15.248 3.853 1.00 0.00 C ATOM 938 CG2 ILE A 56 -3.304 -13.655 5.391 1.00 0.00 C ATOM 939 CD1 ILE A 56 -2.765 -14.701 2.603 1.00 0.00 C ATOM 0 H ILE A 56 0.492 -14.592 4.520 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.302 -12.655 3.604 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.507 -14.719 5.838 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.130 -15.647 3.592 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.705 -16.082 4.226 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.963 -14.473 5.681 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.175 -12.977 6.235 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.745 -13.113 4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.845 -15.493 1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.760 -14.329 2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.161 -13.887 2.203 1.00 0.00 H new ATOM 951 N ARG A 57 -0.246 -12.245 6.706 1.00 0.00 N ATOM 952 CA ARG A 57 -0.202 -11.334 7.840 1.00 0.00 C ATOM 953 C ARG A 57 0.489 -10.032 7.492 1.00 0.00 C ATOM 954 O ARG A 57 -0.011 -8.949 7.826 1.00 0.00 O ATOM 955 CB ARG A 57 0.478 -12.008 9.038 1.00 0.00 C ATOM 956 CG ARG A 57 -0.494 -12.638 10.018 1.00 0.00 C ATOM 957 CD ARG A 57 -1.378 -13.674 9.348 1.00 0.00 C ATOM 958 NE ARG A 57 -2.492 -14.062 10.200 1.00 0.00 N ATOM 959 CZ ARG A 57 -3.516 -14.816 9.808 1.00 0.00 C ATOM 960 NH1 ARG A 57 -3.536 -15.344 8.583 1.00 0.00 N ATOM 961 NH2 ARG A 57 -4.514 -15.051 10.640 1.00 0.00 N ATOM 0 H ARG A 57 0.332 -13.078 6.816 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.230 -11.091 8.109 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.160 -12.776 8.672 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.082 -11.269 9.564 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.061 -13.105 10.831 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.117 -11.862 10.462 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.760 -13.274 8.409 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.784 -14.554 9.101 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.488 -13.733 11.165 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.763 -15.171 7.940 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.324 -15.921 8.289 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.498 -14.655 11.580 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.301 -15.628 10.343 1.00 0.00 H new ATOM 975 N GLU A 58 1.619 -10.112 6.809 1.00 0.00 N ATOM 976 CA GLU A 58 2.327 -8.922 6.445 1.00 0.00 C ATOM 977 C GLU A 58 1.592 -8.191 5.327 1.00 0.00 C ATOM 978 O GLU A 58 1.581 -6.968 5.280 1.00 0.00 O ATOM 979 CB GLU A 58 3.759 -9.235 6.029 1.00 0.00 C ATOM 980 CG GLU A 58 4.670 -8.027 6.039 1.00 0.00 C ATOM 981 CD GLU A 58 5.002 -7.563 7.441 1.00 0.00 C ATOM 982 OE1 GLU A 58 5.760 -8.261 8.140 1.00 0.00 O ATOM 983 OE2 GLU A 58 4.503 -6.496 7.854 1.00 0.00 O ATOM 0 H GLU A 58 2.052 -10.984 6.504 1.00 0.00 H new ATOM 0 HA GLU A 58 2.370 -8.274 7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.166 -9.992 6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.752 -9.666 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.593 -8.268 5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.194 -7.212 5.493 1.00 0.00 H new ATOM 990 N LEU A 59 0.969 -8.947 4.429 1.00 0.00 N ATOM 991 CA LEU A 59 0.203 -8.367 3.341 1.00 0.00 C ATOM 992 C LEU A 59 -0.953 -7.553 3.906 1.00 0.00 C ATOM 993 O LEU A 59 -1.182 -6.418 3.501 1.00 0.00 O ATOM 994 CB LEU A 59 -0.332 -9.476 2.424 1.00 0.00 C ATOM 995 CG LEU A 59 -0.905 -9.036 1.073 1.00 0.00 C ATOM 996 CD1 LEU A 59 0.178 -8.416 0.211 1.00 0.00 C ATOM 997 CD2 LEU A 59 -1.541 -10.218 0.362 1.00 0.00 C ATOM 0 H LEU A 59 0.982 -9.967 4.437 1.00 0.00 H new ATOM 0 HA LEU A 59 0.850 -7.712 2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.477 -10.182 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.109 -10.018 2.963 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.673 -8.283 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.248 -8.110 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.593 -7.545 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.968 -9.147 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.944 -9.892 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.790 -10.990 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.346 -10.622 0.976 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.660 -8.147 4.864 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.813 -7.516 5.513 1.00 0.00 C ATOM 1011 C ASP A 60 -2.445 -6.198 6.182 1.00 0.00 C ATOM 1012 O ASP A 60 -3.104 -5.182 5.961 1.00 0.00 O ATOM 1013 CB ASP A 60 -3.428 -8.464 6.544 1.00 0.00 C ATOM 1014 CG ASP A 60 -4.505 -7.802 7.380 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -5.612 -7.555 6.855 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -4.256 -7.546 8.574 1.00 0.00 O ATOM 0 H ASP A 60 -1.451 -9.082 5.215 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.542 -7.301 4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.852 -9.327 6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.643 -8.838 7.201 1.00 0.00 H new ATOM 1021 N VAL A 61 -1.384 -6.207 6.981 1.00 0.00 N ATOM 1022 CA VAL A 61 -0.968 -4.998 7.688 1.00 0.00 C ATOM 1023 C VAL A 61 -0.560 -3.895 6.694 1.00 0.00 C ATOM 1024 O VAL A 61 -0.854 -2.716 6.903 1.00 0.00 O ATOM 1025 CB VAL A 61 0.172 -5.274 8.717 1.00 0.00 C ATOM 1026 CG1 VAL A 61 1.405 -5.822 8.043 1.00 0.00 C ATOM 1027 CG2 VAL A 61 0.513 -4.026 9.505 1.00 0.00 C ATOM 0 H VAL A 61 -0.802 -7.026 7.155 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.829 -4.649 8.257 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.197 -6.029 9.411 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.178 -6.002 8.790 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.160 -6.758 7.541 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.769 -5.102 7.310 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.310 -4.250 10.214 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.844 -3.243 8.822 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.369 -3.686 10.047 1.00 0.00 H new ATOM 1037 N VAL A 62 0.082 -4.298 5.600 1.00 0.00 N ATOM 1038 CA VAL A 62 0.480 -3.367 4.552 1.00 0.00 C ATOM 1039 C VAL A 62 -0.750 -2.819 3.842 1.00 0.00 C ATOM 1040 O VAL A 62 -0.860 -1.615 3.619 1.00 0.00 O ATOM 1041 CB VAL A 62 1.408 -4.047 3.512 1.00 0.00 C ATOM 1042 CG1 VAL A 62 1.623 -3.149 2.303 1.00 0.00 C ATOM 1043 CG2 VAL A 62 2.739 -4.408 4.145 1.00 0.00 C ATOM 0 H VAL A 62 0.338 -5.268 5.418 1.00 0.00 H new ATOM 0 HA VAL A 62 1.028 -2.553 5.026 1.00 0.00 H new ATOM 0 HB VAL A 62 0.922 -4.962 3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.277 -3.650 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.663 -2.939 1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.083 -2.213 2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.378 -4.884 3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.223 -3.504 4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.573 -5.095 4.974 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.679 -3.699 3.523 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.897 -3.302 2.844 1.00 0.00 C ATOM 1055 C CYS A 63 -3.687 -2.330 3.705 1.00 0.00 C ATOM 1056 O CYS A 63 -4.181 -1.321 3.218 1.00 0.00 O ATOM 1057 CB CYS A 63 -3.754 -4.520 2.495 1.00 0.00 C ATOM 1058 SG CYS A 63 -2.981 -5.664 1.328 1.00 0.00 S ATOM 0 H CYS A 63 -1.613 -4.697 3.724 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.620 -2.806 1.914 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.989 -5.059 3.413 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -4.700 -4.176 2.076 1.00 0.00 H new ATOM 0 HG CYS A 63 -1.970 -6.249 1.899 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.764 -2.616 4.997 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.504 -1.790 5.928 1.00 0.00 C ATOM 1066 C ALA A 64 -3.858 -0.424 6.118 1.00 0.00 C ATOM 1067 O ALA A 64 -4.542 0.601 6.056 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.611 -2.500 7.262 1.00 0.00 C ATOM 0 H ALA A 64 -3.315 -3.426 5.424 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.498 -1.627 5.511 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.168 -1.877 7.962 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.130 -3.449 7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.612 -2.685 7.657 1.00 0.00 H new ATOM 1074 N MET A 65 -2.548 -0.401 6.350 1.00 0.00 N ATOM 1075 CA MET A 65 -1.856 0.868 6.570 1.00 0.00 C ATOM 1076 C MET A 65 -1.893 1.726 5.305 1.00 0.00 C ATOM 1077 O MET A 65 -2.089 2.943 5.374 1.00 0.00 O ATOM 1078 CB MET A 65 -0.406 0.649 7.037 1.00 0.00 C ATOM 1079 CG MET A 65 0.539 0.183 5.947 1.00 0.00 C ATOM 1080 SD MET A 65 2.255 0.099 6.484 1.00 0.00 S ATOM 1081 CE MET A 65 2.177 -1.287 7.603 1.00 0.00 C ATOM 0 H MET A 65 -1.953 -1.229 6.390 1.00 0.00 H new ATOM 0 HA MET A 65 -2.380 1.398 7.365 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.027 1.581 7.455 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.403 -0.086 7.842 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.225 -0.801 5.600 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.464 0.860 5.096 1.00 0.00 H new ATOM 0 HE1 MET A 65 3.185 -1.561 7.914 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.588 -1.015 8.479 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.710 -2.134 7.101 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.726 1.082 4.153 1.00 0.00 N ATOM 1092 CA ILE A 66 -1.774 1.769 2.870 1.00 0.00 C ATOM 1093 C ILE A 66 -3.176 2.339 2.620 1.00 0.00 C ATOM 1094 O ILE A 66 -3.321 3.491 2.215 1.00 0.00 O ATOM 1095 CB ILE A 66 -1.332 0.823 1.695 1.00 0.00 C ATOM 1096 CG1 ILE A 66 0.166 1.010 1.360 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -2.180 1.031 0.444 1.00 0.00 C ATOM 1098 CD1 ILE A 66 1.119 0.694 2.497 1.00 0.00 C ATOM 0 H ILE A 66 -1.555 0.079 4.084 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.066 2.597 2.905 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.489 -0.199 2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.415 0.375 0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.327 2.041 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.840 0.357 -0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.225 0.822 0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.082 2.062 0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.145 0.855 2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.904 1.346 3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.993 -0.346 2.799 1.00 0.00 H new ATOM 1110 N GLU A 67 -4.202 1.546 2.917 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.581 1.964 2.713 1.00 0.00 C ATOM 1112 C GLU A 67 -5.952 3.110 3.641 1.00 0.00 C ATOM 1113 O GLU A 67 -6.667 4.039 3.246 1.00 0.00 O ATOM 1114 CB GLU A 67 -6.539 0.787 2.912 1.00 0.00 C ATOM 1115 CG GLU A 67 -6.662 -0.116 1.694 1.00 0.00 C ATOM 1116 CD GLU A 67 -7.504 0.502 0.600 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -7.107 1.547 0.051 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -8.583 -0.053 0.285 1.00 0.00 O ATOM 0 H GLU A 67 -4.101 0.607 3.301 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.672 2.317 1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.199 0.193 3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.526 1.173 3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.667 -0.333 1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.102 -1.067 1.993 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.446 3.054 4.871 1.00 0.00 N ATOM 1126 CA GLY A 68 -5.738 4.081 5.845 1.00 0.00 C ATOM 1127 C GLY A 68 -5.156 5.422 5.462 1.00 0.00 C ATOM 1128 O GLY A 68 -5.851 6.442 5.490 1.00 0.00 O ATOM 0 H GLY A 68 -4.836 2.309 5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.818 4.175 5.956 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.343 3.780 6.815 1.00 0.00 H new ATOM 1132 N ALA A 69 -3.881 5.417 5.085 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.196 6.638 4.694 1.00 0.00 C ATOM 1134 C ALA A 69 -3.770 7.186 3.395 1.00 0.00 C ATOM 1135 O ALA A 69 -3.968 8.395 3.264 1.00 0.00 O ATOM 1136 CB ALA A 69 -1.699 6.392 4.559 1.00 0.00 C ATOM 0 H ALA A 69 -3.303 4.578 5.043 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.352 7.382 5.475 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.203 7.317 4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.298 6.053 5.514 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.523 5.630 3.800 1.00 0.00 H new ATOM 1142 N GLN A 70 -4.061 6.296 2.447 1.00 0.00 N ATOM 1143 CA GLN A 70 -4.609 6.724 1.165 1.00 0.00 C ATOM 1144 C GLN A 70 -5.961 7.390 1.351 1.00 0.00 C ATOM 1145 O GLN A 70 -6.219 8.424 0.777 1.00 0.00 O ATOM 1146 CB GLN A 70 -4.722 5.576 0.157 1.00 0.00 C ATOM 1147 CG GLN A 70 -3.390 5.137 -0.439 1.00 0.00 C ATOM 1148 CD GLN A 70 -3.556 4.230 -1.652 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -4.604 4.456 -2.432 1.00 0.00 O flip ATOM 1150 NE2 GLN A 70 -2.735 3.352 -1.899 1.00 0.00 N flip ATOM 0 H GLN A 70 -3.928 5.289 2.541 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.905 7.447 0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.188 4.721 0.647 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.387 5.881 -0.651 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.817 6.019 -0.726 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.811 4.615 0.323 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.941 3.207 -1.276 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.847 2.768 -2.727 1.00 0.00 H new ATOM 1159 N GLY A 71 -6.798 6.798 2.194 1.00 0.00 N ATOM 1160 CA GLY A 71 -8.139 7.328 2.414 1.00 0.00 C ATOM 1161 C GLY A 71 -8.124 8.690 3.081 1.00 0.00 C ATOM 1162 O GLY A 71 -8.847 9.611 2.677 1.00 0.00 O ATOM 0 H GLY A 71 -6.576 5.960 2.731 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.658 7.401 1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.705 6.631 3.032 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.275 8.814 4.090 1.00 0.00 N ATOM 1167 CA ALA A 72 -7.157 10.043 4.860 1.00 0.00 C ATOM 1168 C ALA A 72 -6.597 11.163 3.993 1.00 0.00 C ATOM 1169 O ALA A 72 -7.190 12.248 3.877 1.00 0.00 O ATOM 1170 CB ALA A 72 -6.277 9.824 6.078 1.00 0.00 C ATOM 0 H ALA A 72 -6.650 8.068 4.397 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.151 10.334 5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.199 10.753 6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.715 9.051 6.709 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.284 9.510 5.757 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.448 10.890 3.384 1.00 0.00 N ATOM 1177 CA LEU A 73 -4.779 11.845 2.524 1.00 0.00 C ATOM 1178 C LEU A 73 -5.661 12.235 1.343 1.00 0.00 C ATOM 1179 O LEU A 73 -5.729 13.400 0.989 1.00 0.00 O ATOM 1180 CB LEU A 73 -3.453 11.269 2.030 1.00 0.00 C ATOM 1181 CG LEU A 73 -2.602 12.193 1.166 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -2.139 13.404 1.959 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.417 11.440 0.593 1.00 0.00 C ATOM 0 H LEU A 73 -4.959 10.000 3.476 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.580 12.745 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.864 10.971 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.663 10.363 1.461 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.216 12.549 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.534 14.047 1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.007 13.959 2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.544 13.075 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.820 12.114 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.804 11.052 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.774 10.612 -0.019 1.00 0.00 H new ATOM 1195 N GLU A 74 -6.340 11.249 0.753 1.00 0.00 N ATOM 1196 CA GLU A 74 -7.230 11.476 -0.393 1.00 0.00 C ATOM 1197 C GLU A 74 -8.257 12.549 -0.069 1.00 0.00 C ATOM 1198 O GLU A 74 -8.418 13.509 -0.807 1.00 0.00 O ATOM 1199 CB GLU A 74 -7.933 10.168 -0.767 1.00 0.00 C ATOM 1200 CG GLU A 74 -7.687 9.702 -2.192 1.00 0.00 C ATOM 1201 CD GLU A 74 -8.347 10.598 -3.214 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -9.594 10.547 -3.347 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -7.643 11.355 -3.890 1.00 0.00 O ATOM 0 H GLU A 74 -6.291 10.275 1.052 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.633 11.818 -1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.606 9.386 -0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.006 10.293 -0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.614 9.670 -2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.062 8.685 -2.308 1.00 0.00 H new ATOM 1210 N ARG A 75 -8.943 12.378 1.053 1.00 0.00 N ATOM 1211 CA ARG A 75 -9.950 13.339 1.490 1.00 0.00 C ATOM 1212 C ARG A 75 -9.336 14.733 1.660 1.00 0.00 C ATOM 1213 O ARG A 75 -9.952 15.737 1.307 1.00 0.00 O ATOM 1214 CB ARG A 75 -10.576 12.882 2.810 1.00 0.00 C ATOM 1215 CG ARG A 75 -11.580 13.868 3.381 1.00 0.00 C ATOM 1216 CD ARG A 75 -12.049 13.455 4.765 1.00 0.00 C ATOM 1217 NE ARG A 75 -12.828 12.217 4.749 1.00 0.00 N ATOM 1218 CZ ARG A 75 -14.065 12.107 5.242 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -14.696 13.179 5.712 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -14.679 10.933 5.240 1.00 0.00 N ATOM 0 H ARG A 75 -8.821 11.582 1.679 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.724 13.393 0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.070 11.923 2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.784 12.719 3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.129 14.859 3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.438 13.941 2.713 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.183 13.327 5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.653 14.255 5.193 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.401 11.388 4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.236 14.089 5.697 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.640 13.091 6.088 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.207 10.111 4.862 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.623 10.851 5.617 1.00 0.00 H new ATOM 1234 N GLU A 76 -8.126 14.781 2.182 1.00 0.00 N ATOM 1235 CA GLU A 76 -7.461 16.055 2.427 1.00 0.00 C ATOM 1236 C GLU A 76 -7.006 16.703 1.119 1.00 0.00 C ATOM 1237 O GLU A 76 -7.390 17.840 0.826 1.00 0.00 O ATOM 1238 CB GLU A 76 -6.272 15.866 3.373 1.00 0.00 C ATOM 1239 CG GLU A 76 -5.693 17.170 3.910 1.00 0.00 C ATOM 1240 CD GLU A 76 -4.655 16.949 4.991 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -4.955 16.227 5.971 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -3.547 17.513 4.890 1.00 0.00 O ATOM 0 H GLU A 76 -7.582 13.959 2.445 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.181 16.723 2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.585 15.246 4.213 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.487 15.321 2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.243 17.728 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.501 17.784 4.308 1.00 0.00 H new ATOM 1249 N LEU A 77 -6.211 15.986 0.324 1.00 0.00 N ATOM 1250 CA LEU A 77 -5.698 16.532 -0.928 1.00 0.00 C ATOM 1251 C LEU A 77 -6.804 16.868 -1.910 1.00 0.00 C ATOM 1252 O LEU A 77 -6.625 17.687 -2.794 1.00 0.00 O ATOM 1253 CB LEU A 77 -4.629 15.598 -1.571 1.00 0.00 C ATOM 1254 CG LEU A 77 -5.017 14.132 -1.860 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -5.984 14.026 -3.028 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -3.771 13.309 -2.141 1.00 0.00 C ATOM 0 H LEU A 77 -5.911 15.032 0.525 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.205 17.471 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.315 16.050 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.758 15.588 -0.915 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.520 13.741 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.233 12.979 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.893 14.582 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.520 14.441 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.055 12.276 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.252 13.719 -3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.111 13.340 -1.274 1.00 0.00 H new ATOM 1268 N LYS A 78 -7.954 16.274 -1.740 1.00 0.00 N ATOM 1269 CA LYS A 78 -9.024 16.518 -2.663 1.00 0.00 C ATOM 1270 C LYS A 78 -9.550 17.941 -2.558 1.00 0.00 C ATOM 1271 O LYS A 78 -10.230 18.428 -3.462 1.00 0.00 O ATOM 1272 CB LYS A 78 -10.119 15.485 -2.541 1.00 0.00 C ATOM 1273 CG LYS A 78 -9.823 14.260 -3.391 1.00 0.00 C ATOM 1274 CD LYS A 78 -9.908 14.580 -4.879 1.00 0.00 C ATOM 1275 CE LYS A 78 -9.157 13.557 -5.722 1.00 0.00 C ATOM 1276 NZ LYS A 78 -9.679 12.178 -5.547 1.00 0.00 N ATOM 0 H LYS A 78 -8.171 15.627 -0.982 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.613 16.415 -3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.227 15.188 -1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.069 15.922 -2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.828 13.884 -3.155 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.530 13.467 -3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.954 14.606 -5.186 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.497 15.573 -5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.226 13.837 -6.773 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.100 13.578 -5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.017 11.499 -5.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.780 11.971 -4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.606 12.096 -6.011 1.00 0.00 H new ATOM 1290 N ARG A 79 -9.227 18.608 -1.454 1.00 0.00 N ATOM 1291 CA ARG A 79 -9.642 19.981 -1.264 1.00 0.00 C ATOM 1292 C ARG A 79 -8.574 20.953 -1.778 1.00 0.00 C ATOM 1293 O ARG A 79 -8.875 22.097 -2.120 1.00 0.00 O ATOM 1294 CB ARG A 79 -9.961 20.267 0.207 1.00 0.00 C ATOM 1295 CG ARG A 79 -10.374 21.706 0.459 1.00 0.00 C ATOM 1296 CD ARG A 79 -10.779 21.948 1.897 1.00 0.00 C ATOM 1297 NE ARG A 79 -11.010 23.370 2.145 1.00 0.00 N ATOM 1298 CZ ARG A 79 -12.208 23.930 2.327 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -13.312 23.190 2.285 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -12.300 25.236 2.541 1.00 0.00 N ATOM 0 H ARG A 79 -8.682 18.217 -0.685 1.00 0.00 H new ATOM 0 HA ARG A 79 -10.553 20.132 -1.844 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.761 19.603 0.535 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.086 20.035 0.814 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -9.548 22.368 0.201 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.205 21.963 -0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.684 21.384 2.123 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.000 21.581 2.565 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.194 23.981 2.182 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -13.247 22.187 2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.224 23.626 2.425 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.457 25.809 2.566 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.214 25.667 2.680 1.00 0.00 H new ATOM 1314 N THR A 80 -7.333 20.486 -1.869 1.00 0.00 N ATOM 1315 CA THR A 80 -6.237 21.332 -2.321 1.00 0.00 C ATOM 1316 C THR A 80 -6.177 21.424 -3.852 1.00 0.00 C ATOM 1317 O THR A 80 -5.170 21.856 -4.419 1.00 0.00 O ATOM 1318 CB THR A 80 -4.885 20.868 -1.748 1.00 0.00 C ATOM 1319 OG1 THR A 80 -4.816 19.444 -1.763 1.00 0.00 O ATOM 1320 CG2 THR A 80 -4.710 21.371 -0.323 1.00 0.00 C ATOM 0 H THR A 80 -7.063 19.530 -1.637 1.00 0.00 H new ATOM 0 HA THR A 80 -6.437 22.333 -1.938 1.00 0.00 H new ATOM 0 HB THR A 80 -4.087 21.278 -2.367 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.527 19.088 -2.336 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.749 21.034 0.066 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.743 22.460 -0.315 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.512 20.979 0.302 1.00 0.00 H new ATOM 1328 N ASP A 81 -7.250 20.948 -4.501 1.00 0.00 N ATOM 1329 CA ASP A 81 -7.468 21.110 -5.957 1.00 0.00 C ATOM 1330 C ASP A 81 -7.471 22.633 -6.335 1.00 0.00 C ATOM 1331 O ASP A 81 -6.681 23.406 -5.800 1.00 0.00 O ATOM 1332 CB ASP A 81 -8.813 20.423 -6.330 1.00 0.00 C ATOM 1333 CG ASP A 81 -9.108 20.371 -7.827 1.00 0.00 C ATOM 1334 OD1 ASP A 81 -8.546 19.514 -8.528 1.00 0.00 O ATOM 1335 OD2 ASP A 81 -9.938 21.180 -8.297 1.00 0.00 O ATOM 0 H ASP A 81 -7.998 20.436 -4.033 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.662 20.640 -6.520 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.807 19.406 -5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -9.626 20.951 -5.831 1.00 0.00 H new ATOM 1340 N LEU A 82 -8.362 23.058 -7.228 1.00 0.00 N ATOM 1341 CA LEU A 82 -8.413 24.453 -7.673 1.00 0.00 C ATOM 1342 C LEU A 82 -7.084 24.871 -8.303 1.00 0.00 C ATOM 1343 O LEU A 82 -6.379 25.739 -7.780 1.00 0.00 O ATOM 1344 CB LEU A 82 -8.790 25.385 -6.507 1.00 0.00 C ATOM 1345 CG LEU A 82 -9.683 26.588 -6.849 1.00 0.00 C ATOM 1346 CD1 LEU A 82 -10.181 27.248 -5.580 1.00 0.00 C ATOM 1347 CD2 LEU A 82 -8.936 27.598 -7.703 1.00 0.00 C ATOM 0 H LEU A 82 -9.062 22.455 -7.660 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.187 24.539 -8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.296 24.791 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.870 25.760 -6.059 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.537 26.223 -7.421 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.812 28.099 -5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.759 26.529 -4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -9.331 27.592 -4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.592 28.438 -7.930 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.061 27.957 -7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.618 27.125 -8.632 1.00 0.00 H new ATOM 1359 N ASN A 83 -6.769 24.233 -9.434 1.00 0.00 N ATOM 1360 CA ASN A 83 -5.546 24.479 -10.196 1.00 0.00 C ATOM 1361 C ASN A 83 -5.328 23.384 -11.203 1.00 0.00 C ATOM 1362 O ASN A 83 -5.536 22.208 -10.907 1.00 0.00 O ATOM 1363 CB ASN A 83 -4.335 24.586 -9.334 1.00 0.00 C ATOM 1364 CG ASN A 83 -3.320 25.416 -10.049 1.00 0.00 C ATOM 1365 OD1 ASN A 83 -3.662 26.344 -10.781 1.00 0.00 O ATOM 1366 ND2 ASN A 83 -2.111 25.085 -9.908 1.00 0.00 N ATOM 0 H ASN A 83 -7.368 23.520 -9.851 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.687 25.437 -10.696 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.590 25.040 -8.376 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.933 23.596 -9.120 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.382 25.592 -10.409 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.863 24.310 -9.293 1.00 0.00 H new ATOM 1373 N ILE A 84 -4.910 23.765 -12.397 1.00 0.00 N ATOM 1374 CA ILE A 84 -4.688 22.812 -13.476 1.00 0.00 C ATOM 1375 C ILE A 84 -3.595 21.793 -13.135 1.00 0.00 C ATOM 1376 O ILE A 84 -3.753 20.592 -13.379 1.00 0.00 O ATOM 1377 CB ILE A 84 -4.327 23.527 -14.801 1.00 0.00 C ATOM 1378 CG1 ILE A 84 -5.405 24.551 -15.162 1.00 0.00 C ATOM 1379 CG2 ILE A 84 -4.159 22.511 -15.929 1.00 0.00 C ATOM 1380 CD1 ILE A 84 -5.086 25.367 -16.397 1.00 0.00 C ATOM 0 H ILE A 84 -4.716 24.734 -12.647 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.629 22.277 -13.603 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.381 24.050 -14.665 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.350 24.030 -15.317 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.548 25.227 -14.319 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.906 23.031 -16.853 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.361 21.814 -15.675 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.091 21.962 -16.066 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.897 26.070 -16.588 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.158 25.917 -16.240 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.973 24.702 -17.253 1.00 0.00 H new ATOM 1392 N LEU A 85 -2.502 22.271 -12.533 1.00 0.00 N ATOM 1393 CA LEU A 85 -1.354 21.420 -12.238 1.00 0.00 C ATOM 1394 C LEU A 85 -1.702 20.404 -11.157 1.00 0.00 C ATOM 1395 O LEU A 85 -1.503 19.203 -11.341 1.00 0.00 O ATOM 1396 CB LEU A 85 -0.158 22.293 -11.795 1.00 0.00 C ATOM 1397 CG LEU A 85 1.253 21.668 -11.904 1.00 0.00 C ATOM 1398 CD1 LEU A 85 2.314 22.731 -11.677 1.00 0.00 C ATOM 1399 CD2 LEU A 85 1.443 20.527 -10.908 1.00 0.00 C ATOM 0 H LEU A 85 -2.392 23.242 -12.242 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.080 20.873 -13.140 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.169 23.207 -12.388 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.319 22.585 -10.757 1.00 0.00 H new ATOM 0 HG LEU A 85 1.356 21.258 -12.909 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.303 22.280 -11.756 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.211 23.514 -12.428 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.190 23.162 -10.684 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.446 20.114 -11.015 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.312 20.904 -9.894 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.707 19.747 -11.103 1.00 0.00 H new ATOM 1411 N GLU A 86 -2.236 20.885 -10.036 1.00 0.00 N ATOM 1412 CA GLU A 86 -2.606 20.008 -8.933 1.00 0.00 C ATOM 1413 C GLU A 86 -3.622 18.978 -9.366 1.00 0.00 C ATOM 1414 O GLU A 86 -3.518 17.816 -8.999 1.00 0.00 O ATOM 1415 CB GLU A 86 -3.140 20.788 -7.722 1.00 0.00 C ATOM 1416 CG GLU A 86 -2.080 21.564 -6.952 1.00 0.00 C ATOM 1417 CD GLU A 86 -1.767 22.904 -7.566 1.00 0.00 C ATOM 1418 OE1 GLU A 86 -1.106 22.947 -8.616 1.00 0.00 O ATOM 1419 OE2 GLU A 86 -2.177 23.927 -6.997 1.00 0.00 O ATOM 0 H GLU A 86 -2.421 21.874 -9.870 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.692 19.498 -8.628 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.905 21.485 -8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.626 20.089 -7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.419 21.711 -5.927 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.167 20.971 -6.904 1.00 0.00 H new ATOM 1426 N ARG A 87 -4.580 19.390 -10.180 1.00 0.00 N ATOM 1427 CA ARG A 87 -5.621 18.487 -10.624 1.00 0.00 C ATOM 1428 C ARG A 87 -5.026 17.325 -11.406 1.00 0.00 C ATOM 1429 O ARG A 87 -5.375 16.162 -11.186 1.00 0.00 O ATOM 1430 CB ARG A 87 -6.644 19.233 -11.467 1.00 0.00 C ATOM 1431 CG ARG A 87 -7.839 18.400 -11.882 1.00 0.00 C ATOM 1432 CD ARG A 87 -8.944 19.287 -12.405 1.00 0.00 C ATOM 1433 NE ARG A 87 -9.378 20.254 -11.395 1.00 0.00 N ATOM 1434 CZ ARG A 87 -9.869 21.464 -11.665 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -9.990 21.874 -12.930 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -10.244 22.260 -10.672 1.00 0.00 N ATOM 0 H ARG A 87 -4.656 20.340 -10.544 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.125 18.083 -9.746 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.997 20.099 -10.907 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.152 19.612 -12.363 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.543 17.686 -12.650 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.200 17.822 -11.031 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.598 19.817 -13.293 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.791 18.673 -12.710 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.299 19.983 -10.415 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.706 21.261 -13.694 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.366 22.800 -13.132 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.156 21.946 -9.706 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.620 23.186 -10.875 1.00 0.00 H new ATOM 1450 N PHE A 88 -4.107 17.654 -12.304 1.00 0.00 N ATOM 1451 CA PHE A 88 -3.442 16.669 -13.137 1.00 0.00 C ATOM 1452 C PHE A 88 -2.486 15.803 -12.317 1.00 0.00 C ATOM 1453 O PHE A 88 -2.503 14.579 -12.424 1.00 0.00 O ATOM 1454 CB PHE A 88 -2.689 17.369 -14.276 1.00 0.00 C ATOM 1455 CG PHE A 88 -1.806 16.453 -15.071 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -2.351 15.516 -15.932 1.00 0.00 C ATOM 1457 CD2 PHE A 88 -0.429 16.530 -14.954 1.00 0.00 C ATOM 1458 CE1 PHE A 88 -1.539 14.671 -16.659 1.00 0.00 C ATOM 1459 CE2 PHE A 88 0.389 15.690 -15.679 1.00 0.00 C ATOM 1460 CZ PHE A 88 -0.167 14.759 -16.533 1.00 0.00 C ATOM 0 H PHE A 88 -3.803 18.613 -12.473 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.202 16.013 -13.562 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -3.413 17.833 -14.946 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.081 18.172 -13.858 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.424 15.446 -16.036 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.010 17.257 -14.287 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.976 13.942 -17.326 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.462 15.760 -15.579 1.00 0.00 H new ATOM 0 HZ PHE A 88 0.471 14.100 -17.103 1.00 0.00 H new ATOM 1470 N ASN A 89 -1.657 16.448 -11.502 1.00 0.00 N ATOM 1471 CA ASN A 89 -0.681 15.741 -10.672 1.00 0.00 C ATOM 1472 C ASN A 89 -1.380 14.713 -9.780 1.00 0.00 C ATOM 1473 O ASN A 89 -0.989 13.545 -9.734 1.00 0.00 O ATOM 1474 CB ASN A 89 0.114 16.735 -9.819 1.00 0.00 C ATOM 1475 CG ASN A 89 1.311 16.105 -9.118 1.00 0.00 C ATOM 1476 OD1 ASN A 89 1.670 16.501 -8.019 1.00 0.00 O ATOM 1477 ND2 ASN A 89 1.947 15.139 -9.762 1.00 0.00 N ATOM 0 H ASN A 89 -1.640 17.462 -11.397 1.00 0.00 H new ATOM 0 HA ASN A 89 0.012 15.214 -11.328 1.00 0.00 H new ATOM 0 HB2 ASN A 89 0.461 17.551 -10.453 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -0.548 17.172 -9.071 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.766 14.699 -9.342 1.00 0.00 H new ATOM 0 HD22 ASN A 89 1.618 14.834 -10.678 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.412 15.164 -9.074 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.228 14.289 -8.228 1.00 0.00 C ATOM 1486 C TYR A 90 -3.787 13.130 -9.032 1.00 0.00 C ATOM 1487 O TYR A 90 -3.764 11.985 -8.592 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.382 15.076 -7.620 1.00 0.00 C ATOM 1489 CG TYR A 90 -3.996 16.070 -6.556 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -2.698 16.554 -6.441 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -4.942 16.535 -5.674 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -2.367 17.474 -5.476 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -4.622 17.447 -4.710 1.00 0.00 C ATOM 1494 CZ TYR A 90 -3.332 17.919 -4.611 1.00 0.00 C ATOM 1495 OH TYR A 90 -3.008 18.846 -3.646 1.00 0.00 O ATOM 0 H TYR A 90 -2.708 16.140 -9.069 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.591 13.897 -7.435 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.898 15.607 -8.420 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.095 14.371 -7.193 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.937 16.201 -7.121 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.957 16.172 -5.745 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.355 17.843 -5.400 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.380 17.798 -4.025 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.759 18.947 -3.024 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.293 13.445 -10.217 1.00 0.00 N ATOM 1506 CA GLU A 91 -4.878 12.453 -11.101 1.00 0.00 C ATOM 1507 C GLU A 91 -3.848 11.388 -11.464 1.00 0.00 C ATOM 1508 O GLU A 91 -4.154 10.192 -11.497 1.00 0.00 O ATOM 1509 CB GLU A 91 -5.425 13.133 -12.350 1.00 0.00 C ATOM 1510 CG GLU A 91 -6.215 12.205 -13.248 1.00 0.00 C ATOM 1511 CD GLU A 91 -6.933 12.939 -14.348 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -6.340 13.126 -15.429 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -8.106 13.327 -14.138 1.00 0.00 O ATOM 0 H GLU A 91 -4.308 14.394 -10.589 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.702 11.959 -10.587 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.062 13.965 -12.051 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.595 13.555 -12.917 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.541 11.469 -13.687 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.941 11.656 -12.648 1.00 0.00 H new ATOM 1520 N GLU A 92 -2.620 11.828 -11.715 1.00 0.00 N ATOM 1521 CA GLU A 92 -1.536 10.922 -12.045 1.00 0.00 C ATOM 1522 C GLU A 92 -1.213 10.030 -10.858 1.00 0.00 C ATOM 1523 O GLU A 92 -1.095 8.810 -11.006 1.00 0.00 O ATOM 1524 CB GLU A 92 -0.288 11.698 -12.480 1.00 0.00 C ATOM 1525 CG GLU A 92 0.892 10.802 -12.828 1.00 0.00 C ATOM 1526 CD GLU A 92 2.140 11.579 -13.174 1.00 0.00 C ATOM 1527 OE1 GLU A 92 2.915 11.911 -12.254 1.00 0.00 O ATOM 1528 OE2 GLU A 92 2.371 11.837 -14.377 1.00 0.00 O ATOM 0 H GLU A 92 -2.354 12.812 -11.695 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.857 10.297 -12.878 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.535 12.313 -13.346 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.005 12.377 -11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.102 10.144 -11.985 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.622 10.165 -13.670 1.00 0.00 H new ATOM 1535 N ALA A 93 -1.083 10.634 -9.672 1.00 0.00 N ATOM 1536 CA ALA A 93 -0.802 9.887 -8.458 1.00 0.00 C ATOM 1537 C ALA A 93 -1.872 8.835 -8.213 1.00 0.00 C ATOM 1538 O ALA A 93 -1.563 7.680 -7.924 1.00 0.00 O ATOM 1539 CB ALA A 93 -0.700 10.832 -7.269 1.00 0.00 C ATOM 0 H ALA A 93 -1.170 11.641 -9.535 1.00 0.00 H new ATOM 0 HA ALA A 93 0.154 9.377 -8.581 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.489 10.259 -6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.104 11.547 -7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.642 11.367 -7.148 1.00 0.00 H new ATOM 1545 N GLN A 94 -3.138 9.242 -8.349 1.00 0.00 N ATOM 1546 CA GLN A 94 -4.265 8.327 -8.188 1.00 0.00 C ATOM 1547 C GLN A 94 -4.154 7.179 -9.179 1.00 0.00 C ATOM 1548 O GLN A 94 -4.444 6.033 -8.850 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.596 9.057 -8.392 1.00 0.00 C ATOM 1550 CG GLN A 94 -5.917 10.086 -7.319 1.00 0.00 C ATOM 1551 CD GLN A 94 -7.218 10.812 -7.591 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -8.287 10.377 -7.168 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -7.138 11.925 -8.294 1.00 0.00 N ATOM 0 H GLN A 94 -3.405 10.201 -8.571 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.237 7.932 -7.172 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.579 9.554 -9.362 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.399 8.321 -8.425 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.975 9.591 -6.350 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.105 10.810 -7.259 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.232 12.254 -8.628 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.982 12.457 -8.504 1.00 0.00 H new ATOM 1562 N THR A 95 -3.711 7.502 -10.384 1.00 0.00 N ATOM 1563 CA THR A 95 -3.537 6.511 -11.426 1.00 0.00 C ATOM 1564 C THR A 95 -2.520 5.450 -11.003 1.00 0.00 C ATOM 1565 O THR A 95 -2.802 4.248 -11.063 1.00 0.00 O ATOM 1566 CB THR A 95 -3.095 7.157 -12.756 1.00 0.00 C ATOM 1567 OG1 THR A 95 -4.105 8.088 -13.198 1.00 0.00 O ATOM 1568 CG2 THR A 95 -2.875 6.094 -13.828 1.00 0.00 C ATOM 0 H THR A 95 -3.465 8.452 -10.663 1.00 0.00 H new ATOM 0 HA THR A 95 -4.505 6.035 -11.582 1.00 0.00 H new ATOM 0 HB THR A 95 -2.154 7.682 -12.592 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.211 8.797 -12.530 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.564 6.573 -14.757 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.100 5.401 -13.500 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.803 5.548 -13.995 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.365 5.897 -10.516 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.306 4.980 -10.117 1.00 0.00 C ATOM 1578 C LEU A 96 -0.731 4.190 -8.888 1.00 0.00 C ATOM 1579 O LEU A 96 -0.430 3.001 -8.767 1.00 0.00 O ATOM 1580 CB LEU A 96 0.992 5.740 -9.820 1.00 0.00 C ATOM 1581 CG LEU A 96 1.537 6.604 -10.963 1.00 0.00 C ATOM 1582 CD1 LEU A 96 2.777 7.361 -10.515 1.00 0.00 C ATOM 1583 CD2 LEU A 96 1.849 5.749 -12.185 1.00 0.00 C ATOM 0 H LEU A 96 -1.141 6.884 -10.389 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.125 4.292 -10.943 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.826 6.380 -8.954 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.758 5.017 -9.540 1.00 0.00 H new ATOM 0 HG LEU A 96 0.770 7.328 -11.238 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.150 7.969 -11.339 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.525 8.006 -9.673 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.546 6.651 -10.211 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.234 6.383 -12.984 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.596 5.000 -11.924 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.940 5.252 -12.523 1.00 0.00 H new ATOM 1595 N SER A 97 -1.448 4.858 -7.988 1.00 0.00 N ATOM 1596 CA SER A 97 -1.931 4.235 -6.769 1.00 0.00 C ATOM 1597 C SER A 97 -2.807 3.028 -7.088 1.00 0.00 C ATOM 1598 O SER A 97 -2.610 1.937 -6.552 1.00 0.00 O ATOM 1599 CB SER A 97 -2.710 5.247 -5.924 1.00 0.00 C ATOM 1600 OG SER A 97 -1.909 6.375 -5.616 1.00 0.00 O ATOM 0 H SER A 97 -1.707 5.840 -8.086 1.00 0.00 H new ATOM 0 HA SER A 97 -1.069 3.892 -6.198 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.602 5.566 -6.463 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.047 4.773 -5.002 1.00 0.00 H new ATOM 0 HG SER A 97 -1.787 6.919 -6.422 1.00 0.00 H new ATOM 1606 N LYS A 98 -3.761 3.234 -7.997 1.00 0.00 N ATOM 1607 CA LYS A 98 -4.702 2.197 -8.387 1.00 0.00 C ATOM 1608 C LYS A 98 -3.990 1.041 -9.086 1.00 0.00 C ATOM 1609 O LYS A 98 -4.410 -0.117 -8.981 1.00 0.00 O ATOM 1610 CB LYS A 98 -5.773 2.794 -9.305 1.00 0.00 C ATOM 1611 CG LYS A 98 -6.599 3.891 -8.652 1.00 0.00 C ATOM 1612 CD LYS A 98 -7.527 4.569 -9.650 1.00 0.00 C ATOM 1613 CE LYS A 98 -8.252 5.744 -9.012 1.00 0.00 C ATOM 1614 NZ LYS A 98 -9.144 6.445 -9.973 1.00 0.00 N ATOM 0 H LYS A 98 -3.898 4.123 -8.479 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.175 1.802 -7.488 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.291 3.196 -10.196 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.440 1.998 -9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.187 3.467 -7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.934 4.634 -8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.952 4.915 -10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.254 3.848 -10.023 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.840 5.389 -8.166 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.520 6.449 -8.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.616 7.238 -9.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.581 6.808 -10.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.860 5.781 -10.330 1.00 0.00 H new ATOM 1628 N ILE A 99 -2.921 1.351 -9.810 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.145 0.316 -10.477 1.00 0.00 C ATOM 1630 C ILE A 99 -1.440 -0.563 -9.446 1.00 0.00 C ATOM 1631 O ILE A 99 -1.481 -1.796 -9.526 1.00 0.00 O ATOM 1632 CB ILE A 99 -1.089 0.903 -11.440 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -1.765 1.752 -12.525 1.00 0.00 C ATOM 1634 CG2 ILE A 99 -0.283 -0.228 -12.072 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -0.793 2.420 -13.477 1.00 0.00 C ATOM 0 H ILE A 99 -2.575 2.301 -9.949 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.848 -0.276 -11.063 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.414 1.547 -10.876 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.443 1.119 -13.098 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.374 2.519 -12.046 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.461 0.190 -12.750 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.219 -0.798 -11.290 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.952 -0.885 -12.627 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.347 3.001 -14.214 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -0.131 3.080 -12.917 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.201 1.659 -13.986 1.00 0.00 H new ATOM 1647 N LEU A 100 -0.825 0.091 -8.467 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.092 -0.595 -7.411 1.00 0.00 C ATOM 1649 C LEU A 100 -1.029 -1.499 -6.612 1.00 0.00 C ATOM 1650 O LEU A 100 -0.714 -2.660 -6.345 1.00 0.00 O ATOM 1651 CB LEU A 100 0.602 0.446 -6.494 1.00 0.00 C ATOM 1652 CG LEU A 100 1.648 -0.081 -5.481 1.00 0.00 C ATOM 1653 CD1 LEU A 100 0.984 -0.744 -4.278 1.00 0.00 C ATOM 1654 CD2 LEU A 100 2.616 -1.045 -6.156 1.00 0.00 C ATOM 0 H LEU A 100 -0.821 1.108 -8.384 1.00 0.00 H new ATOM 0 HA LEU A 100 0.676 -1.226 -7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.092 1.183 -7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.172 0.972 -5.936 1.00 0.00 H new ATOM 0 HG LEU A 100 2.210 0.779 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.751 -1.101 -3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.348 -0.020 -3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.378 -1.586 -4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.342 -1.403 -5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.062 -1.892 -6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.137 -0.531 -6.964 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.191 -0.962 -6.257 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.186 -1.700 -5.484 1.00 0.00 C ATOM 1668 C LEU A 101 -3.641 -2.958 -6.216 1.00 0.00 C ATOM 1669 O LEU A 101 -3.784 -4.013 -5.606 1.00 0.00 O ATOM 1670 CB LEU A 101 -4.393 -0.810 -5.182 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.117 0.418 -4.317 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -5.370 1.263 -4.181 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -3.600 0.006 -2.947 1.00 0.00 C ATOM 0 H LEU A 101 -2.470 -0.010 -6.494 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.718 -2.003 -4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.819 -0.476 -6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.152 -1.416 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.348 1.016 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.156 2.134 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.697 1.591 -5.168 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.159 0.672 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.410 0.896 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.344 -0.615 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.675 -0.559 -3.062 1.00 0.00 H new ATOM 1685 N LYS A 102 -3.856 -2.847 -7.521 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.296 -3.995 -8.306 1.00 0.00 C ATOM 1687 C LYS A 102 -3.226 -5.079 -8.345 1.00 0.00 C ATOM 1688 O LYS A 102 -3.545 -6.263 -8.243 1.00 0.00 O ATOM 1689 CB LYS A 102 -4.687 -3.596 -9.727 1.00 0.00 C ATOM 1690 CG LYS A 102 -5.973 -2.794 -9.816 1.00 0.00 C ATOM 1691 CD LYS A 102 -6.497 -2.743 -11.248 1.00 0.00 C ATOM 1692 CE LYS A 102 -5.496 -2.098 -12.198 1.00 0.00 C ATOM 1693 NZ LYS A 102 -5.230 -0.683 -11.854 1.00 0.00 N ATOM 0 H LYS A 102 -3.735 -1.985 -8.053 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.181 -4.394 -7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -3.877 -3.012 -10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.792 -4.498 -10.330 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.727 -3.239 -9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.798 -1.781 -9.454 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.721 -3.754 -11.589 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.432 -2.184 -11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.561 -2.658 -12.173 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.876 -2.157 -13.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.531 -0.290 -12.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.113 -0.138 -11.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -4.859 -0.625 -10.884 1.00 0.00 H new ATOM 1707 N ASP A 103 -1.962 -4.684 -8.475 1.00 0.00 N ATOM 1708 CA ASP A 103 -0.877 -5.666 -8.531 1.00 0.00 C ATOM 1709 C ASP A 103 -0.724 -6.346 -7.168 1.00 0.00 C ATOM 1710 O ASP A 103 -0.462 -7.555 -7.086 1.00 0.00 O ATOM 1711 CB ASP A 103 0.441 -4.990 -8.933 1.00 0.00 C ATOM 1712 CG ASP A 103 1.341 -5.891 -9.773 1.00 0.00 C ATOM 1713 OD1 ASP A 103 1.873 -6.888 -9.242 1.00 0.00 O ATOM 1714 OD2 ASP A 103 1.526 -5.588 -10.976 1.00 0.00 O ATOM 0 H ASP A 103 -1.665 -3.711 -8.543 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.122 -6.417 -9.282 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.221 -4.082 -9.494 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.977 -4.687 -8.033 1.00 0.00 H new ATOM 1719 N LEU A 104 -0.925 -5.583 -6.089 1.00 0.00 N ATOM 1720 CA LEU A 104 -0.841 -6.127 -4.743 1.00 0.00 C ATOM 1721 C LEU A 104 -1.960 -7.146 -4.523 1.00 0.00 C ATOM 1722 O LEU A 104 -1.745 -8.218 -3.957 1.00 0.00 O ATOM 1723 CB LEU A 104 -0.951 -4.989 -3.723 1.00 0.00 C ATOM 1724 CG LEU A 104 -0.667 -5.354 -2.265 1.00 0.00 C ATOM 1725 CD1 LEU A 104 0.785 -5.773 -2.090 1.00 0.00 C ATOM 1726 CD2 LEU A 104 -1.001 -4.182 -1.353 1.00 0.00 C ATOM 0 H LEU A 104 -1.147 -4.588 -6.128 1.00 0.00 H new ATOM 0 HA LEU A 104 0.118 -6.629 -4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.262 -4.198 -4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.957 -4.573 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.299 -6.198 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.967 -6.029 -1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.992 -6.640 -2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.439 -4.951 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.794 -4.456 -0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.392 -3.321 -1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.056 -3.929 -1.457 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.166 -6.788 -4.963 1.00 0.00 N ATOM 1739 CA LYS A 105 -4.314 -7.690 -4.895 1.00 0.00 C ATOM 1740 C LYS A 105 -4.049 -8.975 -5.675 1.00 0.00 C ATOM 1741 O LYS A 105 -4.568 -10.041 -5.324 1.00 0.00 O ATOM 1742 CB LYS A 105 -5.573 -7.002 -5.420 1.00 0.00 C ATOM 1743 CG LYS A 105 -6.069 -5.862 -4.541 1.00 0.00 C ATOM 1744 CD LYS A 105 -7.323 -5.216 -5.114 1.00 0.00 C ATOM 1745 CE LYS A 105 -8.477 -6.207 -5.194 1.00 0.00 C ATOM 1746 NZ LYS A 105 -9.711 -5.584 -5.728 1.00 0.00 N ATOM 0 H LYS A 105 -3.373 -5.877 -5.371 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.471 -7.952 -3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.373 -6.616 -6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.366 -7.744 -5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.278 -6.239 -3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.285 -5.111 -4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.613 -4.368 -4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.109 -4.824 -6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.191 -7.045 -5.829 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -8.676 -6.612 -4.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.470 -6.294 -5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.000 -4.800 -5.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.530 -5.220 -6.685 1.00 0.00 H new ATOM 1760 N GLU A 106 -3.239 -8.878 -6.727 1.00 0.00 N ATOM 1761 CA GLU A 106 -2.857 -10.053 -7.489 1.00 0.00 C ATOM 1762 C GLU A 106 -1.958 -10.944 -6.635 1.00 0.00 C ATOM 1763 O GLU A 106 -1.984 -12.171 -6.756 1.00 0.00 O ATOM 1764 CB GLU A 106 -2.136 -9.677 -8.779 1.00 0.00 C ATOM 1765 CG GLU A 106 -1.874 -10.870 -9.679 1.00 0.00 C ATOM 1766 CD GLU A 106 -0.792 -10.618 -10.691 1.00 0.00 C ATOM 1767 OE1 GLU A 106 0.388 -10.834 -10.360 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -1.109 -10.221 -11.824 1.00 0.00 O ATOM 0 H GLU A 106 -2.840 -8.002 -7.065 1.00 0.00 H new ATOM 0 HA GLU A 106 -3.766 -10.591 -7.760 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.732 -8.943 -9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.188 -9.199 -8.533 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.597 -11.727 -9.065 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.795 -11.135 -10.199 1.00 0.00 H new ATOM 1775 N THR A 107 -1.167 -10.316 -5.764 1.00 0.00 N ATOM 1776 CA THR A 107 -0.317 -11.054 -4.847 1.00 0.00 C ATOM 1777 C THR A 107 -1.201 -11.875 -3.905 1.00 0.00 C ATOM 1778 O THR A 107 -0.983 -13.075 -3.719 1.00 0.00 O ATOM 1779 CB THR A 107 0.568 -10.093 -4.017 1.00 0.00 C ATOM 1780 OG1 THR A 107 1.204 -9.150 -4.888 1.00 0.00 O ATOM 1781 CG2 THR A 107 1.635 -10.861 -3.252 1.00 0.00 C ATOM 0 H THR A 107 -1.102 -9.302 -5.679 1.00 0.00 H new ATOM 0 HA THR A 107 0.337 -11.710 -5.422 1.00 0.00 H new ATOM 0 HB THR A 107 -0.071 -9.573 -3.303 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.881 -8.647 -4.388 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.244 -10.163 -2.677 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.158 -11.570 -2.575 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.269 -11.401 -3.955 1.00 0.00 H new ATOM 1789 N GLU A 108 -2.203 -11.213 -3.317 1.00 0.00 N ATOM 1790 CA GLU A 108 -3.198 -11.870 -2.464 1.00 0.00 C ATOM 1791 C GLU A 108 -3.836 -13.056 -3.191 1.00 0.00 C ATOM 1792 O GLU A 108 -3.968 -14.146 -2.636 1.00 0.00 O ATOM 1793 CB GLU A 108 -4.280 -10.861 -2.071 1.00 0.00 C ATOM 1794 CG GLU A 108 -5.318 -11.414 -1.112 1.00 0.00 C ATOM 1795 CD GLU A 108 -6.730 -11.113 -1.556 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -7.245 -10.028 -1.234 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -7.336 -11.968 -2.237 1.00 0.00 O ATOM 0 H GLU A 108 -2.347 -10.208 -3.419 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.700 -12.242 -1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.805 -9.993 -1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.783 -10.512 -2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.190 -12.493 -1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.154 -10.992 -0.120 1.00 0.00 H new ATOM 1804 N GLN A 109 -4.218 -12.828 -4.432 1.00 0.00 N ATOM 1805 CA GLN A 109 -4.827 -13.858 -5.259 1.00 0.00 C ATOM 1806 C GLN A 109 -3.879 -15.056 -5.429 1.00 0.00 C ATOM 1807 O GLN A 109 -4.301 -16.216 -5.376 1.00 0.00 O ATOM 1808 CB GLN A 109 -5.193 -13.271 -6.620 1.00 0.00 C ATOM 1809 CG GLN A 109 -5.968 -14.212 -7.518 1.00 0.00 C ATOM 1810 CD GLN A 109 -6.263 -13.603 -8.868 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -5.503 -12.775 -9.369 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -7.365 -13.999 -9.461 1.00 0.00 N ATOM 0 H GLN A 109 -4.116 -11.926 -4.897 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.732 -14.214 -4.766 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -5.783 -12.367 -6.466 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -4.278 -12.971 -7.131 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -5.399 -15.132 -7.653 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -6.905 -14.485 -7.032 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -7.967 -14.688 -9.010 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.619 -13.618 -10.372 1.00 0.00 H new ATOM 1821 N LYS A 110 -2.604 -14.758 -5.614 1.00 0.00 N ATOM 1822 CA LYS A 110 -1.577 -15.774 -5.814 1.00 0.00 C ATOM 1823 C LYS A 110 -1.423 -16.650 -4.556 1.00 0.00 C ATOM 1824 O LYS A 110 -1.453 -17.886 -4.625 1.00 0.00 O ATOM 1825 CB LYS A 110 -0.239 -15.084 -6.119 1.00 0.00 C ATOM 1826 CG LYS A 110 0.675 -15.846 -7.075 1.00 0.00 C ATOM 1827 CD LYS A 110 0.526 -15.349 -8.515 1.00 0.00 C ATOM 1828 CE LYS A 110 0.962 -13.887 -8.652 1.00 0.00 C ATOM 1829 NZ LYS A 110 0.922 -13.418 -10.059 1.00 0.00 N ATOM 0 H LYS A 110 -2.248 -13.802 -5.630 1.00 0.00 H new ATOM 0 HA LYS A 110 -1.872 -16.411 -6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.443 -14.100 -6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.293 -14.925 -5.181 1.00 0.00 H new ATOM 0 HG2 LYS A 110 1.711 -15.733 -6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.442 -16.910 -7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 110 1.124 -15.972 -9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.512 -15.451 -8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.313 -13.258 -8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 110 1.973 -13.774 -8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.974 -12.380 -10.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.729 -13.816 -10.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.035 -13.729 -10.504 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.297 -15.996 -3.407 1.00 0.00 N ATOM 1844 CA VAL A 111 -1.081 -16.706 -2.151 1.00 0.00 C ATOM 1845 C VAL A 111 -2.309 -17.520 -1.750 1.00 0.00 C ATOM 1846 O VAL A 111 -2.183 -18.645 -1.280 1.00 0.00 O ATOM 1847 CB VAL A 111 -0.638 -15.752 -0.996 1.00 0.00 C ATOM 1848 CG1 VAL A 111 -1.636 -14.636 -0.771 1.00 0.00 C ATOM 1849 CG2 VAL A 111 -0.403 -16.527 0.292 1.00 0.00 C ATOM 0 H VAL A 111 -1.340 -14.981 -3.319 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.259 -17.400 -2.324 1.00 0.00 H new ATOM 0 HB VAL A 111 0.303 -15.295 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.289 -13.996 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.733 -14.046 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.605 -15.062 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.096 -15.839 1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.324 -17.029 0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.379 -17.269 0.133 1.00 0.00 H new ATOM 1859 N LYS A 112 -3.498 -16.961 -1.959 1.00 0.00 N ATOM 1860 CA LYS A 112 -4.729 -17.676 -1.646 1.00 0.00 C ATOM 1861 C LYS A 112 -4.933 -18.843 -2.614 1.00 0.00 C ATOM 1862 O LYS A 112 -5.681 -19.780 -2.327 1.00 0.00 O ATOM 1863 CB LYS A 112 -5.942 -16.732 -1.677 1.00 0.00 C ATOM 1864 CG LYS A 112 -6.456 -16.402 -3.074 1.00 0.00 C ATOM 1865 CD LYS A 112 -7.581 -15.379 -3.024 1.00 0.00 C ATOM 1866 CE LYS A 112 -8.253 -15.212 -4.382 1.00 0.00 C ATOM 1867 NZ LYS A 112 -8.880 -16.472 -4.855 1.00 0.00 N ATOM 0 H LYS A 112 -3.634 -16.025 -2.340 1.00 0.00 H new ATOM 0 HA LYS A 112 -4.638 -18.074 -0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.752 -17.184 -1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.675 -15.803 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.638 -16.016 -3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.811 -17.312 -3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.322 -15.689 -2.287 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.185 -14.419 -2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.012 -14.432 -4.317 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.516 -14.878 -5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.581 -16.256 -5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.148 -17.098 -5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.351 -16.946 -4.058 1.00 0.00 H new ATOM 1881 N ASP A 113 -4.270 -18.771 -3.768 1.00 0.00 N ATOM 1882 CA ASP A 113 -4.359 -19.832 -4.763 1.00 0.00 C ATOM 1883 C ASP A 113 -3.505 -21.023 -4.368 1.00 0.00 C ATOM 1884 O ASP A 113 -3.842 -22.165 -4.684 1.00 0.00 O ATOM 1885 CB ASP A 113 -3.932 -19.345 -6.152 1.00 0.00 C ATOM 1886 CG ASP A 113 -4.195 -20.381 -7.235 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -5.318 -20.386 -7.801 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -3.292 -21.190 -7.536 1.00 0.00 O ATOM 0 H ASP A 113 -3.668 -17.991 -4.034 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.405 -20.135 -4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.468 -18.427 -6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.870 -19.100 -6.138 1.00 0.00 H new ATOM 1893 N ILE A 114 -2.413 -20.767 -3.647 1.00 0.00 N ATOM 1894 CA ILE A 114 -1.498 -21.830 -3.249 1.00 0.00 C ATOM 1895 C ILE A 114 -2.124 -22.737 -2.176 1.00 0.00 C ATOM 1896 O ILE A 114 -2.531 -22.287 -1.099 1.00 0.00 O ATOM 1897 CB ILE A 114 -0.121 -21.246 -2.751 1.00 0.00 C ATOM 1898 CG1 ILE A 114 0.923 -21.250 -3.878 1.00 0.00 C ATOM 1899 CG2 ILE A 114 0.416 -21.985 -1.538 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.566 -20.358 -5.047 1.00 0.00 C ATOM 0 H ILE A 114 -2.144 -19.836 -3.329 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.306 -22.438 -4.133 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.312 -20.216 -2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.883 -20.933 -3.472 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.051 -22.271 -4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.366 -21.544 -1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -0.299 -21.907 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.567 -23.035 -1.789 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.351 -20.415 -5.801 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.378 -20.687 -5.481 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.467 -19.329 -4.702 1.00 0.00 H new ATOM 1912 N GLN A 115 -2.253 -24.005 -2.529 1.00 0.00 N ATOM 1913 CA GLN A 115 -2.742 -25.029 -1.623 1.00 0.00 C ATOM 1914 C GLN A 115 -1.644 -25.435 -0.630 1.00 0.00 C ATOM 1915 O GLN A 115 -0.588 -25.935 -1.025 1.00 0.00 O ATOM 1916 CB GLN A 115 -3.227 -26.266 -2.410 1.00 0.00 C ATOM 1917 CG GLN A 115 -2.202 -26.847 -3.389 1.00 0.00 C ATOM 1918 CD GLN A 115 -2.282 -26.239 -4.787 1.00 0.00 C ATOM 1919 OE1 GLN A 115 -2.673 -25.087 -4.964 1.00 0.00 O ATOM 1920 NE2 GLN A 115 -1.906 -27.010 -5.784 1.00 0.00 N ATOM 0 H GLN A 115 -2.020 -24.354 -3.458 1.00 0.00 H new ATOM 0 HA GLN A 115 -3.585 -24.618 -1.067 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -3.511 -27.043 -1.700 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -4.126 -25.997 -2.964 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -1.200 -26.689 -2.990 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -2.350 -27.924 -3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -1.587 -27.961 -5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -1.933 -26.657 -6.740 1.00 0.00 H new ATOM 1929 N THR A 116 -1.886 -25.211 0.647 1.00 0.00 N ATOM 1930 CA THR A 116 -0.922 -25.557 1.673 1.00 0.00 C ATOM 1931 C THR A 116 -1.490 -26.592 2.645 1.00 0.00 C ATOM 1932 O THR A 116 -2.560 -27.161 2.402 1.00 0.00 O ATOM 1933 CB THR A 116 -0.469 -24.305 2.426 1.00 0.00 C ATOM 1934 OG1 THR A 116 -1.603 -23.491 2.745 1.00 0.00 O ATOM 1935 CG2 THR A 116 0.517 -23.518 1.585 1.00 0.00 C ATOM 0 H THR A 116 -2.745 -24.789 1.000 1.00 0.00 H new ATOM 0 HA THR A 116 -0.057 -26.002 1.182 1.00 0.00 H new ATOM 0 HB THR A 116 0.022 -24.607 3.351 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.607 -22.697 2.171 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.833 -22.629 2.131 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.387 -24.138 1.368 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.042 -23.220 0.650 1.00 0.00 H new ATOM 1943 N GLN A 117 -0.781 -26.837 3.733 1.00 0.00 N ATOM 1944 CA GLN A 117 -1.207 -27.819 4.704 1.00 0.00 C ATOM 1945 C GLN A 117 -1.142 -27.235 6.113 1.00 0.00 C ATOM 1946 O GLN A 117 -2.068 -26.492 6.491 1.00 0.00 O ATOM 1947 CB GLN A 117 -0.330 -29.071 4.598 1.00 0.00 C ATOM 1948 CG GLN A 117 -0.829 -30.251 5.418 1.00 0.00 C ATOM 1949 CD GLN A 117 -2.169 -30.785 4.936 1.00 0.00 C ATOM 1950 OE1 GLN A 117 -2.497 -30.713 3.750 1.00 0.00 O ATOM 1951 NE2 GLN A 117 -2.949 -31.322 5.852 1.00 0.00 N ATOM 1952 OXT GLN A 117 -0.163 -27.520 6.836 1.00 0.00 O ATOM 0 H GLN A 117 0.094 -26.366 3.963 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.240 -28.097 4.497 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -0.268 -29.370 3.552 1.00 0.00 H new ATOM 0 HB3 GLN A 117 0.681 -28.821 4.919 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -0.090 -31.051 5.380 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -0.918 -29.949 6.462 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.641 -31.363 6.824 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -3.861 -31.697 5.590 1.00 0.00 H new TER 1961 GLN A 117