USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=21 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= 0.992 K(o=2.1,f=-0.74) USER MOD Set 1.2: A 116 THR OG1 : rot -108:sc= 1.07 USER MOD Set 2.1: A 80 THR OG1 : rot 12:sc= -0.937 USER MOD Set 2.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 1 GLN N :NH3+ 180:sc= -0.248 (180deg=-0.248) USER MOD Single : A 3 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -166:sc= -0.0127 (180deg=-0.187) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= -0.0154 (180deg=-0.181) USER MOD Single : A 7 LYS NZ :NH3+ 149:sc= 1.15 (180deg=-0.329!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.0682 K(o=-0.068,f=-0.58) USER MOD Single : A 23 ASN : amide:sc= -0.73 K(o=-0.73,f=-3.5!) USER MOD Single : A 24 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 32 GLN : amide:sc= -2.81! C(o=-2.8!,f=-3.9!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS :FLIP no HE2:sc= 0.302 F(o=-1.1,f=0.3) USER MOD Single : A 39 GLN : amide:sc= -0.622 K(o=-0.62,f=-2.8!) USER MOD Single : A 44 ASN : amide:sc= -0.337 K(o=-0.34,f=-2.4!) USER MOD Single : A 46 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.93) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.025 (180deg=-0.229) USER MOD Single : A 48 SER OG : rot 55:sc= 1.87 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 68:sc= -0.341 USER MOD Single : A 65 MET CE :methyl -136:sc= -0.963 (180deg=-1.55) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.317 F(o=-1.5!,f=-0.32) USER MOD Single : A 78 LYS NZ :NH3+ 154:sc= 2.53 (180deg=1.83) USER MOD Single : A 83 ASN : amide:sc= -0.126 K(o=-0.13,f=-6!) USER MOD Single : A 89 ASN : amide:sc= -1.12 X(o=-1.1,f=-1.1) USER MOD Single : A 94 GLN : amide:sc= 0.159! X(o=0.16!,f=-0.15) USER MOD Single : A 95 THR OG1 : rot 78:sc= 1.18 USER MOD Single : A 97 SER OG : rot -78:sc= 0.404 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 137:sc= 1.24 (180deg=0.601) USER MOD Single : A 107 THR OG1 : rot 73:sc= 0.795 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 174:sc= 1.05 (180deg=0.889) USER MOD Single : A 112 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.115) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 27.069 -1.260 14.020 1.00 0.00 N ATOM 2 CA GLN A 1 25.718 -1.210 13.420 1.00 0.00 C ATOM 3 C GLN A 1 24.648 -1.629 14.429 1.00 0.00 C ATOM 4 O GLN A 1 23.470 -1.760 14.082 1.00 0.00 O ATOM 5 CB GLN A 1 25.650 -2.101 12.181 1.00 0.00 C ATOM 6 CG GLN A 1 26.505 -1.610 11.021 1.00 0.00 C ATOM 7 CD GLN A 1 26.382 -2.495 9.801 1.00 0.00 C ATOM 8 OE1 GLN A 1 25.354 -3.128 9.582 1.00 0.00 O ATOM 9 NE2 GLN A 1 27.421 -2.533 8.986 1.00 0.00 N ATOM 0 H1 GLN A 1 27.774 -0.971 13.312 1.00 0.00 H new ATOM 0 H2 GLN A 1 27.111 -0.615 14.835 1.00 0.00 H new ATOM 0 H3 GLN A 1 27.273 -2.230 14.336 1.00 0.00 H new ATOM 0 HA GLN A 1 25.522 -0.179 13.126 1.00 0.00 H new ATOM 0 HB2 GLN A 1 25.966 -3.108 12.452 1.00 0.00 H new ATOM 0 HB3 GLN A 1 24.613 -2.170 11.852 1.00 0.00 H new ATOM 0 HG2 GLN A 1 26.210 -0.593 10.761 1.00 0.00 H new ATOM 0 HG3 GLN A 1 27.548 -1.569 11.334 1.00 0.00 H new ATOM 0 HE21 GLN A 1 28.259 -1.993 9.202 1.00 0.00 H new ATOM 0 HE22 GLN A 1 27.386 -3.103 8.141 1.00 0.00 H new ATOM 18 N GLU A 2 25.065 -1.834 15.677 1.00 0.00 N ATOM 19 CA GLU A 2 24.160 -2.238 16.742 1.00 0.00 C ATOM 20 C GLU A 2 23.161 -1.123 17.028 1.00 0.00 C ATOM 21 O GLU A 2 21.948 -1.348 17.056 1.00 0.00 O ATOM 22 CB GLU A 2 24.966 -2.582 17.999 1.00 0.00 C ATOM 23 CG GLU A 2 24.152 -3.165 19.136 1.00 0.00 C ATOM 24 CD GLU A 2 25.027 -3.607 20.287 1.00 0.00 C ATOM 25 OE1 GLU A 2 25.759 -4.607 20.129 1.00 0.00 O ATOM 26 OE2 GLU A 2 25.004 -2.954 21.350 1.00 0.00 O ATOM 0 H GLU A 2 26.035 -1.725 15.974 1.00 0.00 H new ATOM 0 HA GLU A 2 23.605 -3.123 16.431 1.00 0.00 H new ATOM 0 HB2 GLU A 2 25.748 -3.292 17.729 1.00 0.00 H new ATOM 0 HB3 GLU A 2 25.464 -1.679 18.353 1.00 0.00 H new ATOM 0 HG2 GLU A 2 23.436 -2.422 19.488 1.00 0.00 H new ATOM 0 HG3 GLU A 2 23.575 -4.015 18.771 1.00 0.00 H new ATOM 33 N HIS A 3 23.673 0.078 17.225 1.00 0.00 N ATOM 34 CA HIS A 3 22.827 1.236 17.455 1.00 0.00 C ATOM 35 C HIS A 3 22.975 2.220 16.315 1.00 0.00 C ATOM 36 O HIS A 3 23.945 2.166 15.563 1.00 0.00 O ATOM 37 CB HIS A 3 23.132 1.892 18.800 1.00 0.00 C ATOM 38 CG HIS A 3 22.659 1.081 19.964 1.00 0.00 C ATOM 39 ND1 HIS A 3 21.386 1.173 20.475 1.00 0.00 N ATOM 40 CD2 HIS A 3 23.287 0.136 20.700 1.00 0.00 C ATOM 41 CE1 HIS A 3 21.250 0.327 21.471 1.00 0.00 C ATOM 42 NE2 HIS A 3 22.388 -0.318 21.631 1.00 0.00 N ATOM 0 H HIS A 3 24.673 0.278 17.230 1.00 0.00 H new ATOM 0 HA HIS A 3 21.790 0.903 17.492 1.00 0.00 H new ATOM 0 HB2 HIS A 3 24.207 2.049 18.886 1.00 0.00 H new ATOM 0 HB3 HIS A 3 22.662 2.875 18.834 1.00 0.00 H new ATOM 0 HD2 HIS A 3 24.306 -0.199 20.577 1.00 0.00 H new ATOM 0 HE1 HIS A 3 20.356 0.184 22.060 1.00 0.00 H new ATOM 0 HE2 HIS A 3 22.570 -1.036 22.332 1.00 0.00 H new ATOM 51 N LYS A 4 22.019 3.115 16.184 1.00 0.00 N ATOM 52 CA LYS A 4 22.039 4.084 15.112 1.00 0.00 C ATOM 53 C LYS A 4 21.920 5.481 15.710 1.00 0.00 C ATOM 54 O LYS A 4 21.416 5.623 16.830 1.00 0.00 O ATOM 55 CB LYS A 4 20.943 3.800 14.075 1.00 0.00 C ATOM 56 CG LYS A 4 21.258 2.597 13.189 1.00 0.00 C ATOM 57 CD LYS A 4 20.357 2.537 11.963 1.00 0.00 C ATOM 58 CE LYS A 4 18.922 2.205 12.326 1.00 0.00 C ATOM 59 NZ LYS A 4 18.783 0.827 12.868 1.00 0.00 N ATOM 0 H LYS A 4 21.217 3.191 16.809 1.00 0.00 H new ATOM 0 HA LYS A 4 22.984 4.012 14.574 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.998 3.627 14.591 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.807 4.681 13.448 1.00 0.00 H new ATOM 0 HG2 LYS A 4 22.299 2.644 12.871 1.00 0.00 H new ATOM 0 HG3 LYS A 4 21.143 1.681 13.768 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.387 3.495 11.444 1.00 0.00 H new ATOM 0 HD3 LYS A 4 20.738 1.787 11.270 1.00 0.00 H new ATOM 0 HE2 LYS A 4 18.561 2.922 13.064 1.00 0.00 H new ATOM 0 HE3 LYS A 4 18.292 2.311 11.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.778 0.558 12.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 19.312 0.163 12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 19.161 0.795 13.836 1.00 0.00 H new ATOM 73 N PRO A 5 22.395 6.526 15.006 1.00 0.00 N ATOM 74 CA PRO A 5 22.353 7.904 15.514 1.00 0.00 C ATOM 75 C PRO A 5 20.916 8.442 15.715 1.00 0.00 C ATOM 76 O PRO A 5 20.246 8.093 16.695 1.00 0.00 O ATOM 77 CB PRO A 5 23.109 8.709 14.443 1.00 0.00 C ATOM 78 CG PRO A 5 23.012 7.879 13.210 1.00 0.00 C ATOM 79 CD PRO A 5 23.027 6.453 13.673 1.00 0.00 C ATOM 0 HA PRO A 5 22.798 7.977 16.507 1.00 0.00 H new ATOM 0 HB2 PRO A 5 22.661 9.691 14.296 1.00 0.00 H new ATOM 0 HB3 PRO A 5 24.148 8.873 14.730 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.098 8.102 12.660 1.00 0.00 H new ATOM 0 HG3 PRO A 5 23.846 8.080 12.537 1.00 0.00 H new ATOM 0 HD2 PRO A 5 22.469 5.804 12.998 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.041 6.058 13.729 1.00 0.00 H new ATOM 87 N LYS A 6 20.449 9.290 14.811 1.00 0.00 N ATOM 88 CA LYS A 6 19.096 9.805 14.899 1.00 0.00 C ATOM 89 C LYS A 6 18.184 9.093 13.909 1.00 0.00 C ATOM 90 O LYS A 6 18.631 8.224 13.164 1.00 0.00 O ATOM 91 CB LYS A 6 19.063 11.320 14.661 1.00 0.00 C ATOM 92 CG LYS A 6 19.341 12.140 15.914 1.00 0.00 C ATOM 93 CD LYS A 6 20.736 11.887 16.454 1.00 0.00 C ATOM 94 CE LYS A 6 20.928 12.529 17.811 1.00 0.00 C ATOM 95 NZ LYS A 6 20.144 11.851 18.871 1.00 0.00 N ATOM 0 H LYS A 6 20.985 9.633 14.014 1.00 0.00 H new ATOM 0 HA LYS A 6 18.732 9.613 15.908 1.00 0.00 H new ATOM 0 HB2 LYS A 6 19.799 11.576 13.899 1.00 0.00 H new ATOM 0 HB3 LYS A 6 18.085 11.596 14.266 1.00 0.00 H new ATOM 0 HG2 LYS A 6 19.225 13.200 15.688 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.605 11.895 16.680 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.909 10.814 16.530 1.00 0.00 H new ATOM 0 HD3 LYS A 6 21.475 12.280 15.756 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.985 12.507 18.074 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.634 13.577 17.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.480 12.162 19.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.138 12.093 18.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.263 10.821 18.786 1.00 0.00 H new ATOM 109 N LYS A 7 16.911 9.465 13.910 1.00 0.00 N ATOM 110 CA LYS A 7 15.932 8.867 13.010 1.00 0.00 C ATOM 111 C LYS A 7 16.132 9.348 11.583 1.00 0.00 C ATOM 112 O LYS A 7 15.836 8.633 10.623 1.00 0.00 O ATOM 113 CB LYS A 7 14.501 9.206 13.458 1.00 0.00 C ATOM 114 CG LYS A 7 14.200 10.707 13.523 1.00 0.00 C ATOM 115 CD LYS A 7 12.701 10.965 13.537 1.00 0.00 C ATOM 116 CE LYS A 7 12.365 12.430 13.810 1.00 0.00 C ATOM 117 NZ LYS A 7 12.633 13.303 12.637 1.00 0.00 N ATOM 0 H LYS A 7 16.530 10.182 14.527 1.00 0.00 H new ATOM 0 HA LYS A 7 16.078 7.787 13.045 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.797 8.735 12.772 1.00 0.00 H new ATOM 0 HB3 LYS A 7 14.328 8.770 14.442 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.654 11.134 14.417 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.650 11.209 12.667 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.275 10.670 12.578 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.235 10.340 14.299 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.314 12.513 14.088 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.949 12.781 14.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.962 14.098 12.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.604 13.670 12.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.520 12.753 11.762 1.00 0.00 H new ATOM 131 N ASP A 8 16.627 10.558 11.447 1.00 0.00 N ATOM 132 CA ASP A 8 16.803 11.165 10.147 1.00 0.00 C ATOM 133 C ASP A 8 18.210 10.935 9.639 1.00 0.00 C ATOM 134 O ASP A 8 19.014 10.264 10.283 1.00 0.00 O ATOM 135 CB ASP A 8 16.517 12.667 10.211 1.00 0.00 C ATOM 136 CG ASP A 8 15.207 12.999 10.878 1.00 0.00 C ATOM 137 OD1 ASP A 8 14.149 12.786 10.272 1.00 0.00 O ATOM 138 OD2 ASP A 8 15.232 13.488 12.028 1.00 0.00 O ATOM 0 H ASP A 8 16.917 11.145 12.229 1.00 0.00 H new ATOM 0 HA ASP A 8 16.097 10.700 9.459 1.00 0.00 H new ATOM 0 HB2 ASP A 8 17.326 13.161 10.750 1.00 0.00 H new ATOM 0 HB3 ASP A 8 16.514 13.072 9.199 1.00 0.00 H new ATOM 143 N ASP A 9 18.517 11.529 8.507 1.00 0.00 N ATOM 144 CA ASP A 9 19.830 11.385 7.889 1.00 0.00 C ATOM 145 C ASP A 9 20.654 12.626 8.172 1.00 0.00 C ATOM 146 O ASP A 9 21.567 12.963 7.413 1.00 0.00 O ATOM 147 CB ASP A 9 19.698 11.205 6.370 1.00 0.00 C ATOM 148 CG ASP A 9 18.806 10.048 5.976 1.00 0.00 C ATOM 149 OD1 ASP A 9 19.223 8.884 6.133 1.00 0.00 O ATOM 150 OD2 ASP A 9 17.675 10.301 5.499 1.00 0.00 O ATOM 0 H ASP A 9 17.872 12.124 7.986 1.00 0.00 H new ATOM 0 HA ASP A 9 20.318 10.504 8.306 1.00 0.00 H new ATOM 0 HB2 ASP A 9 19.302 12.123 5.936 1.00 0.00 H new ATOM 0 HB3 ASP A 9 20.689 11.052 5.942 1.00 0.00 H new ATOM 155 N PHE A 10 20.333 13.298 9.287 1.00 0.00 N ATOM 156 CA PHE A 10 20.963 14.571 9.647 1.00 0.00 C ATOM 157 C PHE A 10 20.653 15.592 8.571 1.00 0.00 C ATOM 158 O PHE A 10 21.476 16.441 8.225 1.00 0.00 O ATOM 159 CB PHE A 10 22.480 14.418 9.841 1.00 0.00 C ATOM 160 CG PHE A 10 22.857 13.683 11.094 1.00 0.00 C ATOM 161 CD1 PHE A 10 22.670 12.318 11.191 1.00 0.00 C ATOM 162 CD2 PHE A 10 23.400 14.361 12.172 1.00 0.00 C ATOM 163 CE1 PHE A 10 23.018 11.636 12.338 1.00 0.00 C ATOM 164 CE2 PHE A 10 23.750 13.686 13.326 1.00 0.00 C ATOM 165 CZ PHE A 10 23.558 12.321 13.409 1.00 0.00 C ATOM 0 H PHE A 10 19.635 12.976 9.958 1.00 0.00 H new ATOM 0 HA PHE A 10 20.558 14.910 10.601 1.00 0.00 H new ATOM 0 HB2 PHE A 10 22.896 13.891 8.982 1.00 0.00 H new ATOM 0 HB3 PHE A 10 22.937 15.408 9.859 1.00 0.00 H new ATOM 0 HD1 PHE A 10 22.246 11.778 10.358 1.00 0.00 H new ATOM 0 HD2 PHE A 10 23.552 15.429 12.110 1.00 0.00 H new ATOM 0 HE1 PHE A 10 22.869 10.568 12.399 1.00 0.00 H new ATOM 0 HE2 PHE A 10 24.173 14.225 14.161 1.00 0.00 H new ATOM 0 HZ PHE A 10 23.830 11.790 14.309 1.00 0.00 H new ATOM 175 N ARG A 11 19.435 15.513 8.077 1.00 0.00 N ATOM 176 CA ARG A 11 18.961 16.343 7.003 1.00 0.00 C ATOM 177 C ARG A 11 17.448 16.274 6.982 1.00 0.00 C ATOM 178 O ARG A 11 16.874 15.187 7.065 1.00 0.00 O ATOM 179 CB ARG A 11 19.516 15.846 5.663 1.00 0.00 C ATOM 180 CG ARG A 11 19.130 16.709 4.471 1.00 0.00 C ATOM 181 CD ARG A 11 19.862 18.040 4.487 1.00 0.00 C ATOM 182 NE ARG A 11 21.313 17.870 4.367 1.00 0.00 N ATOM 183 CZ ARG A 11 22.147 18.816 3.932 1.00 0.00 C ATOM 184 NH1 ARG A 11 21.673 20.001 3.548 1.00 0.00 N ATOM 185 NH2 ARG A 11 23.454 18.576 3.870 1.00 0.00 N ATOM 0 H ARG A 11 18.737 14.854 8.422 1.00 0.00 H new ATOM 0 HA ARG A 11 19.294 17.370 7.156 1.00 0.00 H new ATOM 0 HB2 ARG A 11 20.603 15.800 5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 11 19.163 14.829 5.491 1.00 0.00 H new ATOM 0 HG2 ARG A 11 19.358 16.178 3.547 1.00 0.00 H new ATOM 0 HG3 ARG A 11 18.054 16.884 4.480 1.00 0.00 H new ATOM 0 HD2 ARG A 11 19.501 18.662 3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 11 19.634 18.568 5.413 1.00 0.00 H new ATOM 0 HE ARG A 11 21.711 16.969 4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 11 20.671 20.186 3.586 1.00 0.00 H new ATOM 0 HH12 ARG A 11 22.313 20.723 3.216 1.00 0.00 H new ATOM 0 HH21 ARG A 11 23.820 17.668 4.155 1.00 0.00 H new ATOM 0 HH22 ARG A 11 24.090 19.300 3.537 1.00 0.00 H new ATOM 199 N ASN A 12 16.807 17.410 6.906 1.00 0.00 N ATOM 200 CA ASN A 12 15.362 17.451 6.863 1.00 0.00 C ATOM 201 C ASN A 12 14.892 17.671 5.443 1.00 0.00 C ATOM 202 O ASN A 12 15.495 18.445 4.693 1.00 0.00 O ATOM 203 CB ASN A 12 14.812 18.556 7.770 1.00 0.00 C ATOM 204 CG ASN A 12 15.150 18.351 9.238 1.00 0.00 C ATOM 205 OD1 ASN A 12 14.414 17.692 9.971 1.00 0.00 O ATOM 206 ND2 ASN A 12 16.257 18.917 9.675 1.00 0.00 N ATOM 0 H ASN A 12 17.260 18.323 6.872 1.00 0.00 H new ATOM 0 HA ASN A 12 14.986 16.494 7.225 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.210 19.517 7.443 1.00 0.00 H new ATOM 0 HB3 ASN A 12 13.729 18.604 7.657 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.530 18.816 10.653 1.00 0.00 H new ATOM 0 HD22 ASN A 12 16.841 19.456 9.036 1.00 0.00 H new ATOM 213 N GLU A 13 13.837 16.976 5.063 1.00 0.00 N ATOM 214 CA GLU A 13 13.274 17.115 3.732 1.00 0.00 C ATOM 215 C GLU A 13 12.646 18.494 3.535 1.00 0.00 C ATOM 216 O GLU A 13 12.820 19.107 2.489 1.00 0.00 O ATOM 217 CB GLU A 13 12.236 16.020 3.454 1.00 0.00 C ATOM 218 CG GLU A 13 12.828 14.651 3.112 1.00 0.00 C ATOM 219 CD GLU A 13 13.710 14.084 4.206 1.00 0.00 C ATOM 220 OE1 GLU A 13 13.181 13.759 5.289 1.00 0.00 O ATOM 221 OE2 GLU A 13 14.937 13.971 3.987 1.00 0.00 O ATOM 0 H GLU A 13 13.350 16.307 5.659 1.00 0.00 H new ATOM 0 HA GLU A 13 14.093 17.006 3.022 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.595 15.915 4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.600 16.342 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.016 13.952 2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.410 14.734 2.194 1.00 0.00 H new ATOM 228 N PHE A 14 11.901 18.965 4.550 1.00 0.00 N ATOM 229 CA PHE A 14 11.307 20.322 4.561 1.00 0.00 C ATOM 230 C PHE A 14 10.089 20.463 3.649 1.00 0.00 C ATOM 231 O PHE A 14 9.256 21.328 3.878 1.00 0.00 O ATOM 232 CB PHE A 14 12.340 21.421 4.226 1.00 0.00 C ATOM 233 CG PHE A 14 13.404 21.628 5.272 1.00 0.00 C ATOM 234 CD1 PHE A 14 13.066 21.963 6.574 1.00 0.00 C ATOM 235 CD2 PHE A 14 14.741 21.500 4.947 1.00 0.00 C ATOM 236 CE1 PHE A 14 14.044 22.163 7.530 1.00 0.00 C ATOM 237 CE2 PHE A 14 15.724 21.702 5.897 1.00 0.00 C ATOM 238 CZ PHE A 14 15.376 22.034 7.190 1.00 0.00 C ATOM 0 H PHE A 14 11.691 18.420 5.386 1.00 0.00 H new ATOM 0 HA PHE A 14 10.966 20.463 5.587 1.00 0.00 H new ATOM 0 HB2 PHE A 14 12.823 21.170 3.281 1.00 0.00 H new ATOM 0 HB3 PHE A 14 11.812 22.362 4.074 1.00 0.00 H new ATOM 0 HD1 PHE A 14 12.026 22.069 6.845 1.00 0.00 H new ATOM 0 HD2 PHE A 14 15.021 21.239 3.937 1.00 0.00 H new ATOM 0 HE1 PHE A 14 13.767 22.420 8.542 1.00 0.00 H new ATOM 0 HE2 PHE A 14 16.765 21.600 5.627 1.00 0.00 H new ATOM 0 HZ PHE A 14 16.143 22.192 7.934 1.00 0.00 H new ATOM 248 N ASP A 15 9.984 19.612 2.631 1.00 0.00 N ATOM 249 CA ASP A 15 8.880 19.700 1.662 1.00 0.00 C ATOM 250 C ASP A 15 7.527 19.717 2.346 1.00 0.00 C ATOM 251 O ASP A 15 6.797 20.695 2.242 1.00 0.00 O ATOM 252 CB ASP A 15 8.930 18.535 0.679 1.00 0.00 C ATOM 253 CG ASP A 15 10.167 18.555 -0.176 1.00 0.00 C ATOM 254 OD1 ASP A 15 10.163 19.247 -1.215 1.00 0.00 O ATOM 255 OD2 ASP A 15 11.146 17.881 0.185 1.00 0.00 O ATOM 0 H ASP A 15 10.644 18.855 2.451 1.00 0.00 H new ATOM 0 HA ASP A 15 9.006 20.640 1.124 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.889 17.596 1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.049 18.567 0.038 1.00 0.00 H new ATOM 260 N HIS A 16 7.222 18.647 3.085 1.00 0.00 N ATOM 261 CA HIS A 16 5.948 18.537 3.810 1.00 0.00 C ATOM 262 C HIS A 16 4.746 18.784 2.893 1.00 0.00 C ATOM 263 O HIS A 16 3.741 19.350 3.320 1.00 0.00 O ATOM 264 CB HIS A 16 5.900 19.542 4.973 1.00 0.00 C ATOM 265 CG HIS A 16 6.810 19.221 6.110 1.00 0.00 C ATOM 266 ND1 HIS A 16 7.807 20.066 6.535 1.00 0.00 N ATOM 267 CD2 HIS A 16 6.851 18.151 6.937 1.00 0.00 C ATOM 268 CE1 HIS A 16 8.425 19.534 7.568 1.00 0.00 C ATOM 269 NE2 HIS A 16 7.865 18.369 7.839 1.00 0.00 N ATOM 0 H HIS A 16 7.839 17.843 3.199 1.00 0.00 H new ATOM 0 HA HIS A 16 5.890 17.519 4.194 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.152 20.531 4.591 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.878 19.596 5.347 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.206 17.286 6.896 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.252 19.976 8.104 1.00 0.00 H new ATOM 0 HE2 HIS A 16 8.139 17.737 8.591 1.00 0.00 H new ATOM 278 N LEU A 17 4.822 18.316 1.650 1.00 0.00 N ATOM 279 CA LEU A 17 3.724 18.477 0.714 1.00 0.00 C ATOM 280 C LEU A 17 2.906 17.202 0.658 1.00 0.00 C ATOM 281 O LEU A 17 3.434 16.109 0.881 1.00 0.00 O ATOM 282 CB LEU A 17 4.254 18.807 -0.690 1.00 0.00 C ATOM 283 CG LEU A 17 4.185 20.275 -1.130 1.00 0.00 C ATOM 284 CD1 LEU A 17 2.741 20.740 -1.239 1.00 0.00 C ATOM 285 CD2 LEU A 17 4.960 21.166 -0.179 1.00 0.00 C ATOM 0 H LEU A 17 5.632 17.824 1.273 1.00 0.00 H new ATOM 0 HA LEU A 17 3.097 19.300 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.294 18.485 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.697 18.210 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 17 4.645 20.349 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.718 21.784 -1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.216 20.129 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.253 20.641 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.894 22.201 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.539 21.082 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.005 20.856 -0.160 1.00 0.00 H new ATOM 297 N LEU A 18 1.627 17.340 0.351 1.00 0.00 N ATOM 298 CA LEU A 18 0.720 16.200 0.268 1.00 0.00 C ATOM 299 C LEU A 18 1.189 15.199 -0.784 1.00 0.00 C ATOM 300 O LEU A 18 1.226 13.994 -0.537 1.00 0.00 O ATOM 301 CB LEU A 18 -0.696 16.676 -0.051 1.00 0.00 C ATOM 302 CG LEU A 18 -1.297 17.673 0.946 1.00 0.00 C ATOM 303 CD1 LEU A 18 -2.645 18.162 0.461 1.00 0.00 C ATOM 304 CD2 LEU A 18 -1.425 17.042 2.325 1.00 0.00 C ATOM 0 H LEU A 18 1.187 18.239 0.153 1.00 0.00 H new ATOM 0 HA LEU A 18 0.718 15.698 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.692 17.135 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.349 15.805 -0.106 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.626 18.528 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.056 18.869 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.528 18.655 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.323 17.315 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.854 17.766 3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.074 16.168 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.440 16.740 2.680 1.00 0.00 H new ATOM 316 N ILE A 19 1.557 15.705 -1.953 1.00 0.00 N ATOM 317 CA ILE A 19 2.025 14.851 -3.035 1.00 0.00 C ATOM 318 C ILE A 19 3.372 14.220 -2.697 1.00 0.00 C ATOM 319 O ILE A 19 3.572 13.030 -2.909 1.00 0.00 O ATOM 320 CB ILE A 19 2.091 15.618 -4.384 1.00 0.00 C ATOM 321 CG1 ILE A 19 0.674 15.880 -4.902 1.00 0.00 C ATOM 322 CG2 ILE A 19 2.899 14.849 -5.425 1.00 0.00 C ATOM 323 CD1 ILE A 19 -0.127 14.610 -5.146 1.00 0.00 C ATOM 0 H ILE A 19 1.541 16.700 -2.176 1.00 0.00 H new ATOM 0 HA ILE A 19 1.297 14.048 -3.151 1.00 0.00 H new ATOM 0 HB ILE A 19 2.595 16.569 -4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.142 16.503 -4.183 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.734 16.446 -5.831 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.924 15.415 -6.356 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.916 14.703 -5.061 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.435 13.879 -5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.120 14.871 -5.512 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.383 13.995 -5.888 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.218 14.053 -4.214 1.00 0.00 H new ATOM 335 N GLU A 20 4.280 15.018 -2.144 1.00 0.00 N ATOM 336 CA GLU A 20 5.592 14.519 -1.736 1.00 0.00 C ATOM 337 C GLU A 20 5.454 13.347 -0.762 1.00 0.00 C ATOM 338 O GLU A 20 6.169 12.338 -0.872 1.00 0.00 O ATOM 339 CB GLU A 20 6.422 15.641 -1.097 1.00 0.00 C ATOM 340 CG GLU A 20 7.316 16.405 -2.073 1.00 0.00 C ATOM 341 CD GLU A 20 6.560 17.106 -3.186 1.00 0.00 C ATOM 342 OE1 GLU A 20 6.036 16.417 -4.084 1.00 0.00 O ATOM 343 OE2 GLU A 20 6.515 18.350 -3.176 1.00 0.00 O ATOM 0 H GLU A 20 4.133 16.012 -1.968 1.00 0.00 H new ATOM 0 HA GLU A 20 6.108 14.165 -2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.745 16.347 -0.616 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.046 15.212 -0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.893 17.145 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.030 15.710 -2.515 1.00 0.00 H new ATOM 350 N GLN A 21 4.534 13.478 0.182 1.00 0.00 N ATOM 351 CA GLN A 21 4.281 12.423 1.154 1.00 0.00 C ATOM 352 C GLN A 21 3.760 11.164 0.453 1.00 0.00 C ATOM 353 O GLN A 21 4.291 10.067 0.654 1.00 0.00 O ATOM 354 CB GLN A 21 3.283 12.897 2.218 1.00 0.00 C ATOM 355 CG GLN A 21 3.059 11.898 3.349 1.00 0.00 C ATOM 356 CD GLN A 21 4.314 11.648 4.176 1.00 0.00 C ATOM 357 OE1 GLN A 21 5.161 12.532 4.337 1.00 0.00 O ATOM 358 NE2 GLN A 21 4.442 10.445 4.700 1.00 0.00 N ATOM 0 H GLN A 21 3.949 14.306 0.296 1.00 0.00 H new ATOM 0 HA GLN A 21 5.221 12.180 1.650 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.639 13.836 2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.327 13.106 1.737 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.268 12.267 4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.712 10.954 2.930 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.720 9.741 4.544 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.263 10.218 5.261 1.00 0.00 H new ATOM 367 N ALA A 22 2.731 11.333 -0.380 1.00 0.00 N ATOM 368 CA ALA A 22 2.139 10.219 -1.126 1.00 0.00 C ATOM 369 C ALA A 22 3.165 9.549 -2.035 1.00 0.00 C ATOM 370 O ALA A 22 3.188 8.323 -2.167 1.00 0.00 O ATOM 371 CB ALA A 22 0.947 10.703 -1.939 1.00 0.00 C ATOM 0 H ALA A 22 2.288 12.235 -0.556 1.00 0.00 H new ATOM 0 HA ALA A 22 1.798 9.476 -0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.517 9.865 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.196 11.122 -1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.273 11.469 -2.643 1.00 0.00 H new ATOM 377 N ASN A 23 4.018 10.367 -2.642 1.00 0.00 N ATOM 378 CA ASN A 23 5.071 9.875 -3.533 1.00 0.00 C ATOM 379 C ASN A 23 5.997 8.937 -2.794 1.00 0.00 C ATOM 380 O ASN A 23 6.468 7.940 -3.353 1.00 0.00 O ATOM 381 CB ASN A 23 5.869 11.026 -4.155 1.00 0.00 C ATOM 382 CG ASN A 23 5.213 11.571 -5.405 1.00 0.00 C ATOM 383 OD1 ASN A 23 4.530 10.845 -6.127 1.00 0.00 O ATOM 384 ND2 ASN A 23 5.430 12.842 -5.685 1.00 0.00 N ATOM 0 H ASN A 23 4.003 11.381 -2.534 1.00 0.00 H new ATOM 0 HA ASN A 23 4.586 9.329 -4.342 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.975 11.828 -3.424 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.874 10.679 -4.396 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.026 13.255 -6.525 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.002 13.411 -5.061 1.00 0.00 H new ATOM 391 N HIS A 24 6.245 9.243 -1.531 1.00 0.00 N ATOM 392 CA HIS A 24 7.083 8.399 -0.704 1.00 0.00 C ATOM 393 C HIS A 24 6.395 7.081 -0.383 1.00 0.00 C ATOM 394 O HIS A 24 7.021 6.022 -0.451 1.00 0.00 O ATOM 395 CB HIS A 24 7.498 9.107 0.590 1.00 0.00 C ATOM 396 CG HIS A 24 8.652 10.051 0.430 1.00 0.00 C ATOM 397 ND1 HIS A 24 8.504 11.365 0.051 1.00 0.00 N ATOM 398 CD2 HIS A 24 9.979 9.865 0.612 1.00 0.00 C ATOM 399 CE1 HIS A 24 9.688 11.946 0.012 1.00 0.00 C ATOM 400 NE2 HIS A 24 10.598 11.057 0.348 1.00 0.00 N ATOM 0 H HIS A 24 5.877 10.069 -1.059 1.00 0.00 H new ATOM 0 HA HIS A 24 7.985 8.188 -1.279 1.00 0.00 H new ATOM 0 HB2 HIS A 24 6.643 9.659 0.980 1.00 0.00 H new ATOM 0 HB3 HIS A 24 7.758 8.355 1.335 1.00 0.00 H new ATOM 0 HD1 HIS A 24 7.617 11.819 -0.166 1.00 0.00 H new ATOM 0 HD2 HIS A 24 10.461 8.946 0.910 1.00 0.00 H new ATOM 0 HE1 HIS A 24 9.878 12.976 -0.251 1.00 0.00 H new ATOM 409 N ALA A 25 5.108 7.129 -0.038 1.00 0.00 N ATOM 410 CA ALA A 25 4.370 5.923 0.311 1.00 0.00 C ATOM 411 C ALA A 25 4.220 4.976 -0.875 1.00 0.00 C ATOM 412 O ALA A 25 4.406 3.770 -0.733 1.00 0.00 O ATOM 413 CB ALA A 25 3.003 6.289 0.867 1.00 0.00 C ATOM 0 H ALA A 25 4.560 7.988 0.006 1.00 0.00 H new ATOM 0 HA ALA A 25 4.945 5.398 1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.460 5.380 1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.126 6.904 1.759 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.442 6.846 0.117 1.00 0.00 H new ATOM 419 N ILE A 26 3.884 5.516 -2.047 1.00 0.00 N ATOM 420 CA ILE A 26 3.712 4.677 -3.231 1.00 0.00 C ATOM 421 C ILE A 26 5.037 4.047 -3.652 1.00 0.00 C ATOM 422 O ILE A 26 5.073 2.898 -4.082 1.00 0.00 O ATOM 423 CB ILE A 26 3.074 5.437 -4.427 1.00 0.00 C ATOM 424 CG1 ILE A 26 3.910 6.657 -4.816 1.00 0.00 C ATOM 425 CG2 ILE A 26 1.644 5.848 -4.092 1.00 0.00 C ATOM 426 CD1 ILE A 26 3.391 7.394 -6.036 1.00 0.00 C ATOM 0 H ILE A 26 3.728 6.512 -2.200 1.00 0.00 H new ATOM 0 HA ILE A 26 3.015 3.889 -2.946 1.00 0.00 H new ATOM 0 HB ILE A 26 3.051 4.763 -5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.942 7.347 -3.973 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.935 6.338 -5.005 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.210 6.379 -4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.050 4.959 -3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.648 6.500 -3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.037 8.246 -6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.386 6.720 -6.893 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.377 7.746 -5.845 1.00 0.00 H new ATOM 438 N GLU A 27 6.122 4.805 -3.512 1.00 0.00 N ATOM 439 CA GLU A 27 7.457 4.296 -3.818 1.00 0.00 C ATOM 440 C GLU A 27 7.792 3.138 -2.882 1.00 0.00 C ATOM 441 O GLU A 27 8.333 2.110 -3.306 1.00 0.00 O ATOM 442 CB GLU A 27 8.491 5.427 -3.671 1.00 0.00 C ATOM 443 CG GLU A 27 9.928 5.042 -4.007 1.00 0.00 C ATOM 444 CD GLU A 27 10.733 4.639 -2.787 1.00 0.00 C ATOM 445 OE1 GLU A 27 10.893 5.478 -1.874 1.00 0.00 O ATOM 446 OE2 GLU A 27 11.220 3.491 -2.736 1.00 0.00 O ATOM 0 H GLU A 27 6.103 5.772 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 27 7.482 3.933 -4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.194 6.255 -4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.461 5.794 -2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.920 4.217 -4.719 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.418 5.883 -4.498 1.00 0.00 H new ATOM 453 N LYS A 28 7.425 3.297 -1.620 1.00 0.00 N ATOM 454 CA LYS A 28 7.675 2.284 -0.614 1.00 0.00 C ATOM 455 C LYS A 28 6.814 1.051 -0.879 1.00 0.00 C ATOM 456 O LYS A 28 7.309 -0.082 -0.857 1.00 0.00 O ATOM 457 CB LYS A 28 7.365 2.844 0.774 1.00 0.00 C ATOM 458 CG LYS A 28 7.651 1.887 1.915 1.00 0.00 C ATOM 459 CD LYS A 28 7.148 2.449 3.229 1.00 0.00 C ATOM 460 CE LYS A 28 7.556 1.583 4.404 1.00 0.00 C ATOM 461 NZ LYS A 28 7.016 2.109 5.680 1.00 0.00 N ATOM 0 H LYS A 28 6.949 4.128 -1.269 1.00 0.00 H new ATOM 0 HA LYS A 28 8.725 1.996 -0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.948 3.753 0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.314 3.130 0.811 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.173 0.927 1.719 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.723 1.702 1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.539 3.457 3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.062 2.531 3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.198 0.565 4.249 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.643 1.534 4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.314 1.493 6.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.377 3.071 5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.977 2.132 5.634 1.00 0.00 H new ATOM 475 N GLY A 29 5.525 1.280 -1.135 1.00 0.00 N ATOM 476 CA GLY A 29 4.604 0.192 -1.399 1.00 0.00 C ATOM 477 C GLY A 29 4.993 -0.613 -2.614 1.00 0.00 C ATOM 478 O GLY A 29 4.941 -1.836 -2.601 1.00 0.00 O ATOM 0 H GLY A 29 5.104 2.208 -1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.564 -0.465 -0.530 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.601 0.595 -1.540 1.00 0.00 H new ATOM 482 N GLU A 30 5.390 0.086 -3.666 1.00 0.00 N ATOM 483 CA GLU A 30 5.794 -0.562 -4.899 1.00 0.00 C ATOM 484 C GLU A 30 6.991 -1.470 -4.650 1.00 0.00 C ATOM 485 O GLU A 30 7.027 -2.608 -5.096 1.00 0.00 O ATOM 486 CB GLU A 30 6.136 0.467 -5.971 1.00 0.00 C ATOM 487 CG GLU A 30 6.342 -0.148 -7.342 1.00 0.00 C ATOM 488 CD GLU A 30 6.892 0.827 -8.345 1.00 0.00 C ATOM 489 OE1 GLU A 30 6.140 1.709 -8.803 1.00 0.00 O ATOM 490 OE2 GLU A 30 8.089 0.715 -8.690 1.00 0.00 O ATOM 0 H GLU A 30 5.440 1.105 -3.688 1.00 0.00 H new ATOM 0 HA GLU A 30 4.957 -1.163 -5.254 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.335 1.204 -6.027 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.041 1.000 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.022 -0.995 -7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.392 -0.538 -7.706 1.00 0.00 H new ATOM 497 N HIS A 31 7.950 -0.959 -3.898 1.00 0.00 N ATOM 498 CA HIS A 31 9.173 -1.682 -3.597 1.00 0.00 C ATOM 499 C HIS A 31 8.874 -2.965 -2.812 1.00 0.00 C ATOM 500 O HIS A 31 9.412 -4.032 -3.115 1.00 0.00 O ATOM 501 CB HIS A 31 10.113 -0.771 -2.810 1.00 0.00 C ATOM 502 CG HIS A 31 11.473 -1.340 -2.553 1.00 0.00 C ATOM 503 ND1 HIS A 31 11.983 -1.526 -1.289 1.00 0.00 N ATOM 504 CD2 HIS A 31 12.443 -1.738 -3.406 1.00 0.00 C ATOM 505 CE1 HIS A 31 13.203 -2.009 -1.379 1.00 0.00 C ATOM 506 NE2 HIS A 31 13.505 -2.148 -2.650 1.00 0.00 N ATOM 0 H HIS A 31 7.903 -0.030 -3.479 1.00 0.00 H new ATOM 0 HA HIS A 31 9.653 -1.975 -4.531 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.224 0.168 -3.353 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.648 -0.533 -1.853 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.389 -1.733 -4.485 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.848 -2.251 -0.547 1.00 0.00 H new ATOM 0 HE2 HIS A 31 14.389 -2.504 -3.014 1.00 0.00 H new ATOM 515 N GLN A 32 7.998 -2.855 -1.821 1.00 0.00 N ATOM 516 CA GLN A 32 7.635 -4.015 -1.009 1.00 0.00 C ATOM 517 C GLN A 32 6.794 -5.004 -1.819 1.00 0.00 C ATOM 518 O GLN A 32 6.769 -6.196 -1.519 1.00 0.00 O ATOM 519 CB GLN A 32 6.939 -3.596 0.312 1.00 0.00 C ATOM 520 CG GLN A 32 5.533 -3.009 0.184 1.00 0.00 C ATOM 521 CD GLN A 32 4.436 -4.067 0.158 1.00 0.00 C ATOM 522 OE1 GLN A 32 4.001 -4.508 -0.894 1.00 0.00 O ATOM 523 NE2 GLN A 32 4.004 -4.493 1.326 1.00 0.00 N ATOM 0 H GLN A 32 7.530 -1.987 -1.560 1.00 0.00 H new ATOM 0 HA GLN A 32 8.554 -4.527 -0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.887 -4.469 0.962 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.571 -2.863 0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.353 -2.330 1.018 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.477 -2.415 -0.728 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.390 -4.102 2.186 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.284 -5.214 1.371 1.00 0.00 H new ATOM 532 N LEU A 33 6.133 -4.507 -2.859 1.00 0.00 N ATOM 533 CA LEU A 33 5.341 -5.352 -3.741 1.00 0.00 C ATOM 534 C LEU A 33 6.269 -6.258 -4.540 1.00 0.00 C ATOM 535 O LEU A 33 6.048 -7.466 -4.628 1.00 0.00 O ATOM 536 CB LEU A 33 4.457 -4.479 -4.660 1.00 0.00 C ATOM 537 CG LEU A 33 3.511 -5.213 -5.638 1.00 0.00 C ATOM 538 CD1 LEU A 33 4.222 -5.556 -6.939 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.932 -6.476 -4.998 1.00 0.00 C ATOM 0 H LEU A 33 6.131 -3.519 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 33 4.675 -5.983 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.851 -3.830 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.112 -3.834 -5.245 1.00 0.00 H new ATOM 0 HG LEU A 33 2.688 -4.536 -5.868 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.531 -6.071 -7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.571 -4.640 -7.415 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.074 -6.203 -6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.270 -6.973 -5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.744 -7.151 -4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.369 -6.206 -4.105 1.00 0.00 H new ATOM 551 N LEU A 34 7.331 -5.674 -5.093 1.00 0.00 N ATOM 552 CA LEU A 34 8.324 -6.436 -5.829 1.00 0.00 C ATOM 553 C LEU A 34 9.030 -7.396 -4.883 1.00 0.00 C ATOM 554 O LEU A 34 9.506 -8.460 -5.281 1.00 0.00 O ATOM 555 CB LEU A 34 9.348 -5.493 -6.456 1.00 0.00 C ATOM 556 CG LEU A 34 8.948 -4.798 -7.761 1.00 0.00 C ATOM 557 CD1 LEU A 34 8.830 -5.799 -8.899 1.00 0.00 C ATOM 558 CD2 LEU A 34 7.660 -4.008 -7.613 1.00 0.00 C ATOM 0 H LEU A 34 7.521 -4.673 -5.042 1.00 0.00 H new ATOM 0 HA LEU A 34 7.828 -6.999 -6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.592 -4.723 -5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.261 -6.059 -6.640 1.00 0.00 H new ATOM 0 HG LEU A 34 9.742 -4.091 -8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.545 -5.279 -9.813 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.789 -6.295 -9.048 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.071 -6.542 -8.653 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.414 -3.532 -8.562 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.852 -4.680 -7.324 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.788 -3.244 -6.846 1.00 0.00 H new ATOM 570 N TYR A 35 9.089 -6.996 -3.624 1.00 0.00 N ATOM 571 CA TYR A 35 9.720 -7.795 -2.596 1.00 0.00 C ATOM 572 C TYR A 35 8.897 -9.050 -2.304 1.00 0.00 C ATOM 573 O TYR A 35 9.383 -10.174 -2.456 1.00 0.00 O ATOM 574 CB TYR A 35 9.940 -6.983 -1.314 1.00 0.00 C ATOM 575 CG TYR A 35 10.602 -7.778 -0.212 1.00 0.00 C ATOM 576 CD1 TYR A 35 11.971 -8.013 -0.227 1.00 0.00 C ATOM 577 CD2 TYR A 35 9.858 -8.305 0.834 1.00 0.00 C ATOM 578 CE1 TYR A 35 12.577 -8.751 0.771 1.00 0.00 C ATOM 579 CE2 TYR A 35 10.456 -9.040 1.837 1.00 0.00 C ATOM 580 CZ TYR A 35 11.815 -9.261 1.799 1.00 0.00 C ATOM 581 OH TYR A 35 12.416 -10.004 2.796 1.00 0.00 O ATOM 0 H TYR A 35 8.702 -6.113 -3.290 1.00 0.00 H new ATOM 0 HA TYR A 35 10.697 -8.102 -2.968 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.554 -6.112 -1.544 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.979 -6.611 -0.958 1.00 0.00 H new ATOM 0 HD1 TYR A 35 12.571 -7.613 -1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.792 -8.137 0.864 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.642 -8.927 0.745 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.863 -9.439 2.646 1.00 0.00 H new ATOM 0 HH TYR A 35 11.739 -10.288 3.445 1.00 0.00 H new ATOM 591 N LEU A 36 7.636 -8.849 -1.900 1.00 0.00 N ATOM 592 CA LEU A 36 6.740 -9.949 -1.552 1.00 0.00 C ATOM 593 C LEU A 36 6.450 -10.845 -2.749 1.00 0.00 C ATOM 594 O LEU A 36 6.259 -12.053 -2.594 1.00 0.00 O ATOM 595 CB LEU A 36 5.429 -9.409 -0.971 1.00 0.00 C ATOM 596 CG LEU A 36 5.558 -8.572 0.308 1.00 0.00 C ATOM 597 CD1 LEU A 36 4.208 -8.010 0.712 1.00 0.00 C ATOM 598 CD2 LEU A 36 6.140 -9.404 1.438 1.00 0.00 C ATOM 0 H LEU A 36 7.215 -7.925 -1.807 1.00 0.00 H new ATOM 0 HA LEU A 36 7.245 -10.553 -0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.940 -8.801 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.770 -10.253 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 36 6.236 -7.743 0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.317 -7.419 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.823 -7.378 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.512 -8.829 0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.223 -8.791 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.487 -10.254 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.128 -9.765 1.152 1.00 0.00 H new ATOM 610 N GLN A 37 6.400 -10.247 -3.941 1.00 0.00 N ATOM 611 CA GLN A 37 6.138 -10.996 -5.166 1.00 0.00 C ATOM 612 C GLN A 37 7.197 -12.089 -5.351 1.00 0.00 C ATOM 613 O GLN A 37 6.894 -13.194 -5.815 1.00 0.00 O ATOM 614 CB GLN A 37 6.122 -10.051 -6.372 1.00 0.00 C ATOM 615 CG GLN A 37 5.461 -10.635 -7.611 1.00 0.00 C ATOM 616 CD GLN A 37 5.397 -9.640 -8.754 1.00 0.00 C ATOM 617 OE1 GLN A 37 6.301 -9.572 -9.582 1.00 0.00 O ATOM 618 NE2 GLN A 37 4.333 -8.861 -8.805 1.00 0.00 N ATOM 0 H GLN A 37 6.538 -9.246 -4.081 1.00 0.00 H new ATOM 0 HA GLN A 37 5.160 -11.470 -5.088 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.602 -9.134 -6.094 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.148 -9.775 -6.617 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.013 -11.518 -7.932 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.452 -10.963 -7.361 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.603 -8.948 -8.098 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.241 -8.172 -9.551 1.00 0.00 H new ATOM 627 N HIS A 38 8.434 -11.789 -4.964 1.00 0.00 N ATOM 628 CA HIS A 38 9.500 -12.780 -5.032 1.00 0.00 C ATOM 629 C HIS A 38 9.264 -13.880 -4.013 1.00 0.00 C ATOM 630 O HIS A 38 9.480 -15.058 -4.297 1.00 0.00 O ATOM 631 CB HIS A 38 10.875 -12.149 -4.827 1.00 0.00 C ATOM 632 CG HIS A 38 11.485 -11.635 -6.090 1.00 0.00 C ATOM 633 ND1 HIS A 38 11.423 -10.422 -6.677 1.00 0.00 N flip ATOM 634 CD2 HIS A 38 12.271 -12.410 -6.907 1.00 0.00 C flip ATOM 635 CE1 HIS A 38 12.164 -10.487 -7.826 1.00 0.00 C flip ATOM 636 NE2 HIS A 38 12.665 -11.699 -7.939 1.00 0.00 N flip ATOM 0 H HIS A 38 8.719 -10.878 -4.604 1.00 0.00 H new ATOM 0 HA HIS A 38 9.484 -13.213 -6.032 1.00 0.00 H new ATOM 0 HB2 HIS A 38 10.788 -11.329 -4.114 1.00 0.00 H new ATOM 0 HB3 HIS A 38 11.543 -12.887 -4.384 1.00 0.00 H new ATOM 0 HD1 HIS A 38 10.918 -9.607 -6.329 1.00 0.00 H new ATOM 0 HD2 HIS A 38 12.526 -13.444 -6.729 1.00 0.00 H new ATOM 0 HE1 HIS A 38 12.313 -9.677 -8.525 1.00 0.00 H new ATOM 645 N GLN A 39 8.822 -13.490 -2.818 1.00 0.00 N ATOM 646 CA GLN A 39 8.490 -14.458 -1.785 1.00 0.00 C ATOM 647 C GLN A 39 7.400 -15.410 -2.267 1.00 0.00 C ATOM 648 O GLN A 39 7.448 -16.606 -2.007 1.00 0.00 O ATOM 649 CB GLN A 39 8.093 -13.779 -0.472 1.00 0.00 C ATOM 650 CG GLN A 39 9.250 -13.064 0.210 1.00 0.00 C ATOM 651 CD GLN A 39 8.923 -12.629 1.623 1.00 0.00 C ATOM 652 OE1 GLN A 39 8.435 -11.532 1.847 1.00 0.00 O ATOM 653 NE2 GLN A 39 9.204 -13.489 2.585 1.00 0.00 N ATOM 0 H GLN A 39 8.688 -12.516 -2.547 1.00 0.00 H new ATOM 0 HA GLN A 39 9.388 -15.042 -1.582 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.297 -13.061 -0.669 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.686 -14.528 0.208 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.117 -13.724 0.230 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.528 -12.190 -0.379 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.611 -14.396 2.356 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.014 -13.247 3.557 1.00 0.00 H new ATOM 662 N LEU A 40 6.395 -14.850 -2.956 1.00 0.00 N ATOM 663 CA LEU A 40 5.342 -15.636 -3.607 1.00 0.00 C ATOM 664 C LEU A 40 5.944 -16.716 -4.502 1.00 0.00 C ATOM 665 O LEU A 40 5.529 -17.878 -4.451 1.00 0.00 O ATOM 666 CB LEU A 40 4.437 -14.707 -4.436 1.00 0.00 C ATOM 667 CG LEU A 40 3.585 -15.376 -5.530 1.00 0.00 C ATOM 668 CD1 LEU A 40 2.573 -16.341 -4.934 1.00 0.00 C ATOM 669 CD2 LEU A 40 2.891 -14.320 -6.376 1.00 0.00 C ATOM 0 H LEU A 40 6.291 -13.842 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 40 4.748 -16.125 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.767 -14.185 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.065 -13.951 -4.907 1.00 0.00 H new ATOM 0 HG LEU A 40 4.251 -15.955 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.989 -16.795 -5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.096 -17.120 -4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.908 -15.801 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.292 -14.806 -7.146 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.244 -13.713 -5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.639 -13.682 -6.847 1.00 0.00 H new ATOM 681 N ASP A 41 6.915 -16.332 -5.325 1.00 0.00 N ATOM 682 CA ASP A 41 7.597 -17.273 -6.208 1.00 0.00 C ATOM 683 C ASP A 41 8.226 -18.415 -5.401 1.00 0.00 C ATOM 684 O ASP A 41 8.185 -19.578 -5.806 1.00 0.00 O ATOM 685 CB ASP A 41 8.662 -16.533 -7.020 1.00 0.00 C ATOM 686 CG ASP A 41 9.399 -17.426 -7.989 1.00 0.00 C ATOM 687 OD1 ASP A 41 8.775 -17.895 -8.961 1.00 0.00 O ATOM 688 OD2 ASP A 41 10.614 -17.643 -7.794 1.00 0.00 O ATOM 0 H ASP A 41 7.249 -15.371 -5.399 1.00 0.00 H new ATOM 0 HA ASP A 41 6.869 -17.710 -6.892 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.189 -15.721 -7.572 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.380 -16.079 -6.337 1.00 0.00 H new ATOM 693 N GLU A 42 8.783 -18.062 -4.253 1.00 0.00 N ATOM 694 CA GLU A 42 9.379 -19.030 -3.336 1.00 0.00 C ATOM 695 C GLU A 42 8.283 -19.933 -2.743 1.00 0.00 C ATOM 696 O GLU A 42 8.435 -21.156 -2.646 1.00 0.00 O ATOM 697 CB GLU A 42 10.114 -18.287 -2.216 1.00 0.00 C ATOM 698 CG GLU A 42 10.799 -19.195 -1.219 1.00 0.00 C ATOM 699 CD GLU A 42 11.354 -18.441 -0.032 1.00 0.00 C ATOM 700 OE1 GLU A 42 12.400 -17.774 -0.178 1.00 0.00 O ATOM 701 OE2 GLU A 42 10.751 -18.516 1.054 1.00 0.00 O ATOM 0 H GLU A 42 8.836 -17.097 -3.928 1.00 0.00 H new ATOM 0 HA GLU A 42 10.090 -19.653 -3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.858 -17.626 -2.660 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.402 -17.655 -1.686 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.090 -19.945 -0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 42 11.609 -19.729 -1.716 1.00 0.00 H new ATOM 708 N LEU A 43 7.183 -19.298 -2.344 1.00 0.00 N ATOM 709 CA LEU A 43 6.024 -19.989 -1.770 1.00 0.00 C ATOM 710 C LEU A 43 5.521 -21.090 -2.701 1.00 0.00 C ATOM 711 O LEU A 43 5.126 -22.156 -2.246 1.00 0.00 O ATOM 712 CB LEU A 43 4.887 -19.007 -1.465 1.00 0.00 C ATOM 713 CG LEU A 43 3.666 -19.602 -0.751 1.00 0.00 C ATOM 714 CD1 LEU A 43 4.042 -20.109 0.622 1.00 0.00 C ATOM 715 CD2 LEU A 43 2.547 -18.580 -0.657 1.00 0.00 C ATOM 0 H LEU A 43 7.067 -18.287 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 43 6.351 -20.444 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.285 -18.199 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.555 -18.562 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 43 3.308 -20.447 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.161 -20.526 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.805 -20.882 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.432 -19.285 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.691 -19.023 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.893 -17.712 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.252 -18.271 -1.660 1.00 0.00 H new ATOM 727 N ASN A 44 5.553 -20.826 -3.998 1.00 0.00 N ATOM 728 CA ASN A 44 5.131 -21.806 -5.011 1.00 0.00 C ATOM 729 C ASN A 44 5.935 -23.093 -4.895 1.00 0.00 C ATOM 730 O ASN A 44 5.418 -24.189 -5.105 1.00 0.00 O ATOM 731 CB ASN A 44 5.308 -21.216 -6.415 1.00 0.00 C ATOM 732 CG ASN A 44 4.129 -20.383 -6.865 1.00 0.00 C ATOM 733 OD1 ASN A 44 3.207 -20.890 -7.494 1.00 0.00 O ATOM 734 ND2 ASN A 44 4.146 -19.101 -6.548 1.00 0.00 N ATOM 0 H ASN A 44 5.868 -19.937 -4.385 1.00 0.00 H new ATOM 0 HA ASN A 44 4.080 -22.038 -4.840 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.207 -20.600 -6.432 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.464 -22.027 -7.126 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.374 -18.496 -6.828 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.931 -18.716 -6.023 1.00 0.00 H new ATOM 741 N GLU A 45 7.194 -22.946 -4.561 1.00 0.00 N ATOM 742 CA GLU A 45 8.101 -24.068 -4.449 1.00 0.00 C ATOM 743 C GLU A 45 7.977 -24.777 -3.101 1.00 0.00 C ATOM 744 O GLU A 45 7.886 -26.004 -3.046 1.00 0.00 O ATOM 745 CB GLU A 45 9.532 -23.583 -4.647 1.00 0.00 C ATOM 746 CG GLU A 45 9.767 -22.904 -5.984 1.00 0.00 C ATOM 747 CD GLU A 45 9.720 -23.870 -7.141 1.00 0.00 C ATOM 748 OE1 GLU A 45 10.775 -24.441 -7.477 1.00 0.00 O ATOM 749 OE2 GLU A 45 8.629 -24.068 -7.720 1.00 0.00 O ATOM 0 H GLU A 45 7.622 -22.043 -4.358 1.00 0.00 H new ATOM 0 HA GLU A 45 7.836 -24.789 -5.222 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.784 -22.887 -3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.210 -24.432 -4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.014 -22.130 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.737 -22.407 -5.969 1.00 0.00 H new ATOM 756 N ASN A 46 7.954 -24.009 -2.020 1.00 0.00 N ATOM 757 CA ASN A 46 7.933 -24.583 -0.667 1.00 0.00 C ATOM 758 C ASN A 46 6.542 -25.080 -0.277 1.00 0.00 C ATOM 759 O ASN A 46 6.409 -26.088 0.413 1.00 0.00 O ATOM 760 CB ASN A 46 8.401 -23.543 0.360 1.00 0.00 C ATOM 761 CG ASN A 46 9.834 -23.100 0.152 1.00 0.00 C ATOM 762 OD1 ASN A 46 10.670 -23.857 -0.330 1.00 0.00 O ATOM 763 ND2 ASN A 46 10.127 -21.867 0.518 1.00 0.00 N ATOM 0 H ASN A 46 7.949 -22.989 -2.046 1.00 0.00 H new ATOM 0 HA ASN A 46 8.612 -25.436 -0.672 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.748 -22.672 0.309 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.298 -23.960 1.362 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.077 -21.513 0.404 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.404 -21.267 0.915 1.00 0.00 H new ATOM 770 N LYS A 47 5.519 -24.337 -0.718 1.00 0.00 N ATOM 771 CA LYS A 47 4.111 -24.606 -0.339 1.00 0.00 C ATOM 772 C LYS A 47 3.971 -24.448 1.190 1.00 0.00 C ATOM 773 O LYS A 47 3.050 -24.976 1.814 1.00 0.00 O ATOM 774 CB LYS A 47 3.703 -26.033 -0.758 1.00 0.00 C ATOM 775 CG LYS A 47 3.738 -26.284 -2.263 1.00 0.00 C ATOM 776 CD LYS A 47 2.678 -25.477 -3.004 1.00 0.00 C ATOM 777 CE LYS A 47 2.708 -25.756 -4.499 1.00 0.00 C ATOM 778 NZ LYS A 47 2.457 -27.188 -4.818 1.00 0.00 N ATOM 0 H LYS A 47 5.633 -23.538 -1.342 1.00 0.00 H new ATOM 0 HA LYS A 47 3.456 -23.899 -0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.366 -26.746 -0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.696 -26.232 -0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.724 -26.028 -2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.586 -27.346 -2.457 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.692 -25.719 -2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.840 -24.414 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.958 -25.140 -4.995 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.678 -25.463 -4.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.253 -27.287 -5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.299 -27.750 -4.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.644 -27.529 -4.266 1.00 0.00 H new ATOM 792 N SER A 48 4.909 -23.701 1.766 1.00 0.00 N ATOM 793 CA SER A 48 4.978 -23.475 3.205 1.00 0.00 C ATOM 794 C SER A 48 3.775 -22.712 3.726 1.00 0.00 C ATOM 795 O SER A 48 3.541 -21.560 3.357 1.00 0.00 O ATOM 796 CB SER A 48 6.278 -22.746 3.570 1.00 0.00 C ATOM 797 OG SER A 48 6.253 -22.255 4.905 1.00 0.00 O ATOM 0 H SER A 48 5.648 -23.232 1.242 1.00 0.00 H new ATOM 0 HA SER A 48 4.970 -24.453 3.687 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.122 -23.425 3.449 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.435 -21.916 2.881 1.00 0.00 H new ATOM 0 HG SER A 48 6.055 -22.991 5.521 1.00 0.00 H new ATOM 803 N LYS A 49 3.019 -23.364 4.586 1.00 0.00 N ATOM 804 CA LYS A 49 1.882 -22.753 5.233 1.00 0.00 C ATOM 805 C LYS A 49 2.327 -21.543 6.068 1.00 0.00 C ATOM 806 O LYS A 49 1.638 -20.531 6.121 1.00 0.00 O ATOM 807 CB LYS A 49 1.119 -23.783 6.110 1.00 0.00 C ATOM 808 CG LYS A 49 1.946 -24.446 7.222 1.00 0.00 C ATOM 809 CD LYS A 49 2.783 -25.627 6.712 1.00 0.00 C ATOM 810 CE LYS A 49 3.645 -26.213 7.820 1.00 0.00 C ATOM 811 NZ LYS A 49 4.536 -27.298 7.329 1.00 0.00 N ATOM 0 H LYS A 49 3.179 -24.335 4.855 1.00 0.00 H new ATOM 0 HA LYS A 49 1.197 -22.404 4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.264 -23.283 6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.723 -24.564 5.461 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.607 -23.704 7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.277 -24.793 8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.123 -26.399 6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.418 -25.297 5.890 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.250 -25.422 8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.002 -26.603 8.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.103 -27.666 8.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.960 -28.066 6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.169 -26.922 6.594 1.00 0.00 H new ATOM 825 N GLU A 50 3.493 -21.663 6.706 1.00 0.00 N ATOM 826 CA GLU A 50 4.052 -20.580 7.508 1.00 0.00 C ATOM 827 C GLU A 50 4.393 -19.386 6.635 1.00 0.00 C ATOM 828 O GLU A 50 4.090 -18.248 6.994 1.00 0.00 O ATOM 829 CB GLU A 50 5.310 -21.041 8.262 1.00 0.00 C ATOM 830 CG GLU A 50 5.168 -22.385 8.962 1.00 0.00 C ATOM 831 CD GLU A 50 5.615 -23.550 8.094 1.00 0.00 C ATOM 832 OE1 GLU A 50 5.235 -23.605 6.903 1.00 0.00 O ATOM 833 OE2 GLU A 50 6.348 -24.412 8.598 1.00 0.00 O ATOM 0 H GLU A 50 4.069 -22.505 6.681 1.00 0.00 H new ATOM 0 HA GLU A 50 3.295 -20.287 8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.140 -21.098 7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.572 -20.285 9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.755 -22.375 9.880 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.127 -22.531 9.251 1.00 0.00 H new ATOM 840 N LEU A 51 5.028 -19.634 5.502 1.00 0.00 N ATOM 841 CA LEU A 51 5.355 -18.560 4.583 1.00 0.00 C ATOM 842 C LEU A 51 4.073 -17.917 4.069 1.00 0.00 C ATOM 843 O LEU A 51 3.989 -16.697 3.953 1.00 0.00 O ATOM 844 CB LEU A 51 6.212 -19.081 3.424 1.00 0.00 C ATOM 845 CG LEU A 51 6.709 -18.028 2.427 1.00 0.00 C ATOM 846 CD1 LEU A 51 7.582 -16.992 3.122 1.00 0.00 C ATOM 847 CD2 LEU A 51 7.471 -18.692 1.294 1.00 0.00 C ATOM 0 H LEU A 51 5.325 -20.562 5.199 1.00 0.00 H new ATOM 0 HA LEU A 51 5.937 -17.805 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.078 -19.594 3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.633 -19.825 2.877 1.00 0.00 H new ATOM 0 HG LEU A 51 5.842 -17.515 2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.922 -16.256 2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.005 -16.493 3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.445 -17.485 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.818 -17.932 0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.328 -19.231 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.815 -19.391 0.775 1.00 0.00 H new ATOM 859 N GLN A 52 3.070 -18.747 3.790 1.00 0.00 N ATOM 860 CA GLN A 52 1.762 -18.251 3.372 1.00 0.00 C ATOM 861 C GLN A 52 1.191 -17.322 4.440 1.00 0.00 C ATOM 862 O GLN A 52 0.749 -16.210 4.143 1.00 0.00 O ATOM 863 CB GLN A 52 0.793 -19.414 3.140 1.00 0.00 C ATOM 864 CG GLN A 52 -0.625 -18.976 2.801 1.00 0.00 C ATOM 865 CD GLN A 52 -1.633 -20.098 2.942 1.00 0.00 C ATOM 866 OE1 GLN A 52 -1.907 -20.830 1.998 1.00 0.00 O ATOM 867 NE2 GLN A 52 -2.183 -20.248 4.128 1.00 0.00 N ATOM 0 H GLN A 52 3.138 -19.763 3.846 1.00 0.00 H new ATOM 0 HA GLN A 52 1.886 -17.702 2.438 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.174 -20.036 2.330 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.767 -20.036 4.034 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.912 -18.151 3.453 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.649 -18.597 1.779 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.930 -19.619 4.890 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.862 -20.993 4.285 1.00 0.00 H new ATOM 876 N GLU A 53 1.229 -17.786 5.686 1.00 0.00 N ATOM 877 CA GLU A 53 0.741 -17.054 6.830 1.00 0.00 C ATOM 878 C GLU A 53 1.418 -15.684 6.946 1.00 0.00 C ATOM 879 O GLU A 53 0.745 -14.662 7.084 1.00 0.00 O ATOM 880 CB GLU A 53 1.014 -17.909 8.075 1.00 0.00 C ATOM 881 CG GLU A 53 0.706 -17.249 9.394 1.00 0.00 C ATOM 882 CD GLU A 53 -0.772 -17.049 9.635 1.00 0.00 C ATOM 883 OE1 GLU A 53 -1.588 -17.667 8.927 1.00 0.00 O ATOM 884 OE2 GLU A 53 -1.125 -16.272 10.552 1.00 0.00 O ATOM 0 H GLU A 53 1.610 -18.702 5.924 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.327 -16.864 6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.428 -18.825 8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.064 -18.201 8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.119 -17.855 10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.207 -16.282 9.433 1.00 0.00 H new ATOM 891 N LYS A 54 2.742 -15.672 6.871 1.00 0.00 N ATOM 892 CA LYS A 54 3.503 -14.426 6.970 1.00 0.00 C ATOM 893 C LYS A 54 3.157 -13.476 5.829 1.00 0.00 C ATOM 894 O LYS A 54 2.911 -12.291 6.050 1.00 0.00 O ATOM 895 CB LYS A 54 5.005 -14.699 6.973 1.00 0.00 C ATOM 896 CG LYS A 54 5.487 -15.517 8.161 1.00 0.00 C ATOM 897 CD LYS A 54 7.008 -15.574 8.219 1.00 0.00 C ATOM 898 CE LYS A 54 7.608 -14.185 8.410 1.00 0.00 C ATOM 899 NZ LYS A 54 9.084 -14.224 8.508 1.00 0.00 N ATOM 0 H LYS A 54 3.314 -16.507 6.742 1.00 0.00 H new ATOM 0 HA LYS A 54 3.228 -13.954 7.913 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.270 -15.222 6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.536 -13.747 6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.103 -15.082 9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.086 -16.528 8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.319 -16.222 9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.393 -16.015 7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.317 -13.547 7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.197 -13.734 9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.449 -13.259 8.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.363 -14.811 9.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.479 -14.630 7.636 1.00 0.00 H new ATOM 913 N ILE A 55 3.122 -14.014 4.619 1.00 0.00 N ATOM 914 CA ILE A 55 2.831 -13.202 3.444 1.00 0.00 C ATOM 915 C ILE A 55 1.434 -12.590 3.542 1.00 0.00 C ATOM 916 O ILE A 55 1.273 -11.389 3.385 1.00 0.00 O ATOM 917 CB ILE A 55 2.981 -13.991 2.117 1.00 0.00 C ATOM 918 CG1 ILE A 55 4.437 -14.442 1.927 1.00 0.00 C ATOM 919 CG2 ILE A 55 2.535 -13.133 0.936 1.00 0.00 C ATOM 920 CD1 ILE A 55 4.659 -15.295 0.693 1.00 0.00 C ATOM 0 H ILE A 55 3.290 -15.001 4.424 1.00 0.00 H new ATOM 0 HA ILE A 55 3.573 -12.403 3.426 1.00 0.00 H new ATOM 0 HB ILE A 55 2.345 -14.875 2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.075 -13.561 1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.751 -15.004 2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.646 -13.700 0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.490 -12.851 1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.150 -12.234 0.886 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.711 -15.574 0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.048 -16.195 0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.378 -14.730 -0.196 1.00 0.00 H new ATOM 932 N ILE A 56 0.437 -13.420 3.835 1.00 0.00 N ATOM 933 CA ILE A 56 -0.948 -12.953 3.980 1.00 0.00 C ATOM 934 C ILE A 56 -1.052 -11.889 5.071 1.00 0.00 C ATOM 935 O ILE A 56 -1.662 -10.840 4.872 1.00 0.00 O ATOM 936 CB ILE A 56 -1.910 -14.130 4.327 1.00 0.00 C ATOM 937 CG1 ILE A 56 -2.093 -15.059 3.124 1.00 0.00 C ATOM 938 CG2 ILE A 56 -3.267 -13.615 4.814 1.00 0.00 C ATOM 939 CD1 ILE A 56 -2.822 -14.415 1.963 1.00 0.00 C ATOM 0 H ILE A 56 0.558 -14.423 3.978 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.243 -12.523 3.023 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.453 -14.699 5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.114 -15.396 2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.643 -15.945 3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.914 -14.460 5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.126 -13.008 5.708 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.728 -13.010 4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.914 -15.133 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.815 -14.102 2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.262 -13.546 1.619 1.00 0.00 H new ATOM 951 N ARG A 57 -0.433 -12.150 6.202 1.00 0.00 N ATOM 952 CA ARG A 57 -0.516 -11.254 7.346 1.00 0.00 C ATOM 953 C ARG A 57 0.182 -9.922 7.091 1.00 0.00 C ATOM 954 O ARG A 57 -0.424 -8.865 7.277 1.00 0.00 O ATOM 955 CB ARG A 57 0.032 -11.940 8.604 1.00 0.00 C ATOM 956 CG ARG A 57 -1.010 -12.728 9.403 1.00 0.00 C ATOM 957 CD ARG A 57 -1.867 -13.617 8.509 1.00 0.00 C ATOM 958 NE ARG A 57 -2.700 -14.535 9.282 1.00 0.00 N ATOM 959 CZ ARG A 57 -4.037 -14.546 9.277 1.00 0.00 C ATOM 960 NH1 ARG A 57 -4.717 -13.646 8.569 1.00 0.00 N ATOM 961 NH2 ARG A 57 -4.690 -15.457 9.989 1.00 0.00 N ATOM 0 H ARG A 57 0.138 -12.980 6.359 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.569 -11.025 7.507 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.836 -12.616 8.313 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.472 -11.183 9.253 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.505 -13.343 10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.652 -12.033 9.945 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.503 -12.993 7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.222 -14.188 7.842 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.225 -15.220 9.870 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.218 -12.942 8.025 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.737 -13.661 8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.172 -16.144 10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.710 -15.470 9.989 1.00 0.00 H new ATOM 975 N GLU A 58 1.434 -9.955 6.641 1.00 0.00 N ATOM 976 CA GLU A 58 2.160 -8.717 6.405 1.00 0.00 C ATOM 977 C GLU A 58 1.609 -7.953 5.204 1.00 0.00 C ATOM 978 O GLU A 58 1.589 -6.726 5.201 1.00 0.00 O ATOM 979 CB GLU A 58 3.664 -8.963 6.257 1.00 0.00 C ATOM 980 CG GLU A 58 4.315 -9.493 7.524 1.00 0.00 C ATOM 981 CD GLU A 58 5.827 -9.549 7.443 1.00 0.00 C ATOM 982 OE1 GLU A 58 6.470 -8.470 7.379 1.00 0.00 O ATOM 983 OE2 GLU A 58 6.385 -10.657 7.492 1.00 0.00 O ATOM 0 H GLU A 58 1.955 -10.808 6.437 1.00 0.00 H new ATOM 0 HA GLU A 58 2.011 -8.093 7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.831 -9.673 5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.151 -8.031 5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.026 -8.861 8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.932 -10.492 7.730 1.00 0.00 H new ATOM 990 N LEU A 59 1.156 -8.670 4.190 1.00 0.00 N ATOM 991 CA LEU A 59 0.577 -8.031 3.018 1.00 0.00 C ATOM 992 C LEU A 59 -0.705 -7.292 3.401 1.00 0.00 C ATOM 993 O LEU A 59 -0.896 -6.135 3.036 1.00 0.00 O ATOM 994 CB LEU A 59 0.314 -9.062 1.905 1.00 0.00 C ATOM 995 CG LEU A 59 -0.211 -8.519 0.567 1.00 0.00 C ATOM 996 CD1 LEU A 59 0.657 -7.371 0.068 1.00 0.00 C ATOM 997 CD2 LEU A 59 -0.243 -9.633 -0.464 1.00 0.00 C ATOM 0 H LEU A 59 1.177 -9.689 4.153 1.00 0.00 H new ATOM 0 HA LEU A 59 1.289 -7.303 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.243 -9.599 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.404 -9.792 2.280 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.221 -8.141 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.265 -7.004 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.649 -6.564 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.679 -7.723 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.616 -9.242 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.763 -10.027 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.899 -10.431 -0.117 1.00 0.00 H new ATOM 1009 N ASP A 60 -1.559 -7.966 4.171 1.00 0.00 N ATOM 1010 CA ASP A 60 -2.842 -7.403 4.606 1.00 0.00 C ATOM 1011 C ASP A 60 -2.654 -6.139 5.445 1.00 0.00 C ATOM 1012 O ASP A 60 -3.332 -5.131 5.223 1.00 0.00 O ATOM 1013 CB ASP A 60 -3.629 -8.439 5.410 1.00 0.00 C ATOM 1014 CG ASP A 60 -5.009 -7.952 5.806 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -5.917 -7.955 4.948 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -5.201 -7.584 6.986 1.00 0.00 O ATOM 0 H ASP A 60 -1.385 -8.912 4.510 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.399 -7.133 3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.726 -9.351 4.822 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.068 -8.697 6.308 1.00 0.00 H new ATOM 1021 N VAL A 61 -1.723 -6.186 6.391 1.00 0.00 N ATOM 1022 CA VAL A 61 -1.484 -5.033 7.261 1.00 0.00 C ATOM 1023 C VAL A 61 -0.963 -3.836 6.462 1.00 0.00 C ATOM 1024 O VAL A 61 -1.342 -2.689 6.724 1.00 0.00 O ATOM 1025 CB VAL A 61 -0.536 -5.345 8.455 1.00 0.00 C ATOM 1026 CG1 VAL A 61 -1.106 -6.453 9.319 1.00 0.00 C ATOM 1027 CG2 VAL A 61 0.865 -5.695 7.987 1.00 0.00 C ATOM 0 H VAL A 61 -1.129 -6.994 6.576 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.453 -4.779 7.691 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.462 -4.439 9.057 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.427 -6.654 10.147 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.076 -6.146 9.711 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.226 -7.356 8.720 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.495 -5.906 8.851 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.825 -6.574 7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.282 -4.857 7.429 1.00 0.00 H new ATOM 1037 N VAL A 62 -0.115 -4.105 5.472 1.00 0.00 N ATOM 1038 CA VAL A 62 0.407 -3.049 4.617 1.00 0.00 C ATOM 1039 C VAL A 62 -0.701 -2.515 3.717 1.00 0.00 C ATOM 1040 O VAL A 62 -0.810 -1.313 3.505 1.00 0.00 O ATOM 1041 CB VAL A 62 1.602 -3.531 3.757 1.00 0.00 C ATOM 1042 CG1 VAL A 62 2.048 -2.435 2.796 1.00 0.00 C ATOM 1043 CG2 VAL A 62 2.762 -3.948 4.650 1.00 0.00 C ATOM 0 H VAL A 62 0.222 -5.041 5.245 1.00 0.00 H new ATOM 0 HA VAL A 62 0.772 -2.252 5.265 1.00 0.00 H new ATOM 0 HB VAL A 62 1.279 -4.393 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.888 -2.793 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.222 -2.172 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.354 -1.556 3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.594 -4.284 4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.079 -3.098 5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.444 -4.760 5.304 1.00 0.00 H new ATOM 1053 N CYS A 63 -1.547 -3.412 3.228 1.00 0.00 N ATOM 1054 CA CYS A 63 -2.670 -3.014 2.391 1.00 0.00 C ATOM 1055 C CYS A 63 -3.588 -2.092 3.177 1.00 0.00 C ATOM 1056 O CYS A 63 -4.031 -1.072 2.677 1.00 0.00 O ATOM 1057 CB CYS A 63 -3.452 -4.238 1.901 1.00 0.00 C ATOM 1058 SG CYS A 63 -2.536 -5.308 0.772 1.00 0.00 S ATOM 0 H CYS A 63 -1.477 -4.416 3.396 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.283 -2.488 1.518 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.763 -4.825 2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -4.360 -3.898 1.403 1.00 0.00 H new ATOM 0 HG CYS A 63 -1.565 -5.886 1.414 1.00 0.00 H new ATOM 1064 N ALA A 64 -3.814 -2.441 4.434 1.00 0.00 N ATOM 1065 CA ALA A 64 -4.686 -1.676 5.309 1.00 0.00 C ATOM 1066 C ALA A 64 -4.121 -0.289 5.592 1.00 0.00 C ATOM 1067 O ALA A 64 -4.824 0.712 5.442 1.00 0.00 O ATOM 1068 CB ALA A 64 -4.901 -2.428 6.606 1.00 0.00 C ATOM 0 H ALA A 64 -3.398 -3.261 4.875 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.642 -1.546 4.802 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.556 -1.849 7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.361 -3.394 6.395 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.942 -2.583 7.100 1.00 0.00 H new ATOM 1074 N MET A 65 -2.851 -0.221 5.985 1.00 0.00 N ATOM 1075 CA MET A 65 -2.235 1.070 6.298 1.00 0.00 C ATOM 1076 C MET A 65 -2.114 1.933 5.039 1.00 0.00 C ATOM 1077 O MET A 65 -2.253 3.157 5.098 1.00 0.00 O ATOM 1078 CB MET A 65 -0.865 0.889 6.976 1.00 0.00 C ATOM 1079 CG MET A 65 0.246 0.433 6.045 1.00 0.00 C ATOM 1080 SD MET A 65 1.812 0.163 6.897 1.00 0.00 S ATOM 1081 CE MET A 65 1.408 -1.280 7.872 1.00 0.00 C ATOM 0 H MET A 65 -2.236 -1.028 6.094 1.00 0.00 H new ATOM 0 HA MET A 65 -2.885 1.587 7.004 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.573 1.834 7.433 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.966 0.163 7.782 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.057 -0.491 5.552 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.388 1.180 5.264 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.792 -1.154 8.884 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.326 -1.404 7.907 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.860 -2.163 7.420 1.00 0.00 H new ATOM 1091 N ILE A 66 -1.865 1.287 3.900 1.00 0.00 N ATOM 1092 CA ILE A 66 -1.777 1.987 2.624 1.00 0.00 C ATOM 1093 C ILE A 66 -3.148 2.527 2.211 1.00 0.00 C ATOM 1094 O ILE A 66 -3.268 3.679 1.797 1.00 0.00 O ATOM 1095 CB ILE A 66 -1.159 1.081 1.503 1.00 0.00 C ATOM 1096 CG1 ILE A 66 0.364 1.304 1.398 1.00 0.00 C ATOM 1097 CG2 ILE A 66 -1.817 1.328 0.147 1.00 0.00 C ATOM 1098 CD1 ILE A 66 1.126 1.110 2.695 1.00 0.00 C ATOM 0 H ILE A 66 -1.721 0.279 3.838 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.102 2.833 2.755 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.349 0.046 1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.767 0.620 0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.545 2.316 1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.361 0.681 -0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.883 1.109 0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.678 2.370 -0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.188 1.288 2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.757 1.812 3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.982 0.090 3.053 1.00 0.00 H new ATOM 1110 N GLU A 67 -4.188 1.701 2.368 1.00 0.00 N ATOM 1111 CA GLU A 67 -5.554 2.110 2.044 1.00 0.00 C ATOM 1112 C GLU A 67 -5.984 3.233 2.966 1.00 0.00 C ATOM 1113 O GLU A 67 -6.706 4.148 2.565 1.00 0.00 O ATOM 1114 CB GLU A 67 -6.530 0.936 2.169 1.00 0.00 C ATOM 1115 CG GLU A 67 -6.375 -0.126 1.096 1.00 0.00 C ATOM 1116 CD GLU A 67 -7.372 -1.254 1.257 1.00 0.00 C ATOM 1117 OE1 GLU A 67 -7.228 -2.054 2.208 1.00 0.00 O ATOM 1118 OE2 GLU A 67 -8.318 -1.340 0.444 1.00 0.00 O ATOM 0 H GLU A 67 -4.107 0.746 2.717 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.569 2.456 1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.396 0.471 3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.549 1.322 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.502 0.331 0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.363 -0.530 1.131 1.00 0.00 H new ATOM 1125 N GLY A 68 -5.505 3.164 4.202 1.00 0.00 N ATOM 1126 CA GLY A 68 -5.828 4.163 5.180 1.00 0.00 C ATOM 1127 C GLY A 68 -5.246 5.507 4.829 1.00 0.00 C ATOM 1128 O GLY A 68 -5.930 6.527 4.894 1.00 0.00 O ATOM 0 H GLY A 68 -4.892 2.421 4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.911 4.249 5.266 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.454 3.850 6.155 1.00 0.00 H new ATOM 1132 N ALA A 69 -3.977 5.506 4.438 1.00 0.00 N ATOM 1133 CA ALA A 69 -3.284 6.725 4.078 1.00 0.00 C ATOM 1134 C ALA A 69 -3.777 7.264 2.747 1.00 0.00 C ATOM 1135 O ALA A 69 -4.077 8.448 2.637 1.00 0.00 O ATOM 1136 CB ALA A 69 -1.781 6.489 4.030 1.00 0.00 C ATOM 0 H ALA A 69 -3.407 4.663 4.364 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.498 7.471 4.844 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.276 7.416 3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.433 6.160 5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.557 5.722 3.289 1.00 0.00 H new ATOM 1142 N GLN A 70 -3.898 6.388 1.743 1.00 0.00 N ATOM 1143 CA GLN A 70 -4.315 6.828 0.411 1.00 0.00 C ATOM 1144 C GLN A 70 -5.706 7.453 0.475 1.00 0.00 C ATOM 1145 O GLN A 70 -5.970 8.452 -0.162 1.00 0.00 O ATOM 1146 CB GLN A 70 -4.240 5.687 -0.644 1.00 0.00 C ATOM 1147 CG GLN A 70 -5.269 4.567 -0.475 1.00 0.00 C ATOM 1148 CD GLN A 70 -6.549 4.793 -1.274 1.00 0.00 C ATOM 1149 OE1 GLN A 70 -6.423 5.362 -2.461 1.00 0.00 O flip ATOM 1150 NE2 GLN A 70 -7.636 4.416 -0.838 1.00 0.00 N flip ATOM 0 H GLN A 70 -3.716 5.388 1.826 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.610 7.589 0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.363 6.123 -1.635 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.243 5.249 -0.610 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.820 3.622 -0.782 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.521 4.472 0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.693 3.981 0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.480 4.538 -1.397 1.00 0.00 H new ATOM 1159 N GLY A 71 -6.566 6.851 1.287 1.00 0.00 N ATOM 1160 CA GLY A 71 -7.918 7.350 1.458 1.00 0.00 C ATOM 1161 C GLY A 71 -7.946 8.679 2.189 1.00 0.00 C ATOM 1162 O GLY A 71 -8.683 9.603 1.818 1.00 0.00 O ATOM 0 H GLY A 71 -6.349 6.019 1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.389 7.464 0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.507 6.619 2.012 1.00 0.00 H new ATOM 1166 N ALA A 72 -7.114 8.770 3.216 1.00 0.00 N ATOM 1167 CA ALA A 72 -7.033 9.953 4.056 1.00 0.00 C ATOM 1168 C ALA A 72 -6.513 11.146 3.273 1.00 0.00 C ATOM 1169 O ALA A 72 -7.166 12.195 3.206 1.00 0.00 O ATOM 1170 CB ALA A 72 -6.157 9.691 5.269 1.00 0.00 C ATOM 0 H ALA A 72 -6.475 8.023 3.490 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.040 10.188 4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.110 10.589 5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.579 8.873 5.853 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.153 9.422 4.941 1.00 0.00 H new ATOM 1176 N LEU A 73 -5.335 10.983 2.671 1.00 0.00 N ATOM 1177 CA LEU A 73 -4.722 12.063 1.918 1.00 0.00 C ATOM 1178 C LEU A 73 -5.565 12.455 0.717 1.00 0.00 C ATOM 1179 O LEU A 73 -5.643 13.613 0.389 1.00 0.00 O ATOM 1180 CB LEU A 73 -3.253 11.733 1.523 1.00 0.00 C ATOM 1181 CG LEU A 73 -2.997 10.433 0.735 1.00 0.00 C ATOM 1182 CD1 LEU A 73 -3.265 10.616 -0.752 1.00 0.00 C ATOM 1183 CD2 LEU A 73 -1.573 9.947 0.965 1.00 0.00 C ATOM 0 H LEU A 73 -4.794 10.118 2.693 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.680 12.933 2.574 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.870 12.565 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.661 11.693 2.437 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.692 9.678 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.074 9.679 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.304 10.909 -0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.609 11.392 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.407 9.028 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.870 10.710 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.421 9.754 2.027 1.00 0.00 H new ATOM 1195 N GLU A 74 -6.217 11.473 0.094 1.00 0.00 N ATOM 1196 CA GLU A 74 -7.090 11.713 -1.066 1.00 0.00 C ATOM 1197 C GLU A 74 -8.174 12.732 -0.712 1.00 0.00 C ATOM 1198 O GLU A 74 -8.333 13.758 -1.380 1.00 0.00 O ATOM 1199 CB GLU A 74 -7.717 10.372 -1.484 1.00 0.00 C ATOM 1200 CG GLU A 74 -8.795 10.438 -2.554 1.00 0.00 C ATOM 1201 CD GLU A 74 -8.274 10.796 -3.926 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -7.647 9.931 -4.562 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -8.536 11.928 -4.396 1.00 0.00 O ATOM 0 H GLU A 74 -6.159 10.494 0.373 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.511 12.121 -1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.921 9.718 -1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.143 9.902 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.299 9.473 -2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.543 11.173 -2.257 1.00 0.00 H new ATOM 1210 N ARG A 75 -8.891 12.454 0.365 1.00 0.00 N ATOM 1211 CA ARG A 75 -9.971 13.316 0.822 1.00 0.00 C ATOM 1212 C ARG A 75 -9.450 14.717 1.168 1.00 0.00 C ATOM 1213 O ARG A 75 -10.107 15.723 0.890 1.00 0.00 O ATOM 1214 CB ARG A 75 -10.655 12.683 2.039 1.00 0.00 C ATOM 1215 CG ARG A 75 -11.905 13.411 2.497 1.00 0.00 C ATOM 1216 CD ARG A 75 -12.996 13.361 1.441 1.00 0.00 C ATOM 1217 NE ARG A 75 -14.177 14.115 1.847 1.00 0.00 N ATOM 1218 CZ ARG A 75 -15.351 14.071 1.226 1.00 0.00 C ATOM 1219 NH1 ARG A 75 -15.519 13.286 0.169 1.00 0.00 N ATOM 1220 NH2 ARG A 75 -16.357 14.813 1.664 1.00 0.00 N ATOM 0 H ARG A 75 -8.742 11.628 0.945 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.697 13.421 0.016 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.915 11.652 1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.944 12.649 2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.271 12.963 3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.661 14.449 2.721 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.613 13.763 0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.273 12.324 1.254 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.096 14.719 2.665 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.745 12.714 -0.169 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.422 13.255 -0.305 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.230 15.417 2.476 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.259 14.781 1.189 1.00 0.00 H new ATOM 1234 N GLU A 76 -8.280 14.775 1.769 1.00 0.00 N ATOM 1235 CA GLU A 76 -7.691 16.049 2.157 1.00 0.00 C ATOM 1236 C GLU A 76 -7.166 16.812 0.944 1.00 0.00 C ATOM 1237 O GLU A 76 -7.564 17.962 0.718 1.00 0.00 O ATOM 1238 CB GLU A 76 -6.581 15.840 3.193 1.00 0.00 C ATOM 1239 CG GLU A 76 -5.906 17.129 3.635 1.00 0.00 C ATOM 1240 CD GLU A 76 -5.053 16.951 4.870 1.00 0.00 C ATOM 1241 OE1 GLU A 76 -3.980 16.327 4.777 1.00 0.00 O ATOM 1242 OE2 GLU A 76 -5.460 17.437 5.950 1.00 0.00 O ATOM 0 H GLU A 76 -7.715 13.958 2.001 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.476 16.653 2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.001 15.342 4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.828 15.171 2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.286 17.506 2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.668 17.884 3.831 1.00 0.00 H new ATOM 1249 N LEU A 77 -6.300 16.185 0.155 1.00 0.00 N ATOM 1250 CA LEU A 77 -5.723 16.845 -1.012 1.00 0.00 C ATOM 1251 C LEU A 77 -6.780 17.307 -1.986 1.00 0.00 C ATOM 1252 O LEU A 77 -6.577 18.263 -2.709 1.00 0.00 O ATOM 1253 CB LEU A 77 -4.642 15.966 -1.716 1.00 0.00 C ATOM 1254 CG LEU A 77 -5.052 14.568 -2.229 1.00 0.00 C ATOM 1255 CD1 LEU A 77 -5.911 14.648 -3.479 1.00 0.00 C ATOM 1256 CD2 LEU A 77 -3.813 13.727 -2.493 1.00 0.00 C ATOM 0 H LEU A 77 -5.983 15.226 0.300 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.217 17.736 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.256 16.531 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.815 15.834 -1.018 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.653 14.095 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.175 13.642 -3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.820 15.209 -3.261 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.355 15.151 -4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.111 12.743 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.194 14.217 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.244 13.617 -1.570 1.00 0.00 H new ATOM 1268 N LYS A 78 -7.936 16.679 -1.963 1.00 0.00 N ATOM 1269 CA LYS A 78 -8.961 17.031 -2.906 1.00 0.00 C ATOM 1270 C LYS A 78 -9.556 18.403 -2.599 1.00 0.00 C ATOM 1271 O LYS A 78 -10.171 19.036 -3.458 1.00 0.00 O ATOM 1272 CB LYS A 78 -10.011 15.952 -3.013 1.00 0.00 C ATOM 1273 CG LYS A 78 -9.643 14.923 -4.072 1.00 0.00 C ATOM 1274 CD LYS A 78 -9.754 15.507 -5.478 1.00 0.00 C ATOM 1275 CE LYS A 78 -8.796 14.828 -6.459 1.00 0.00 C ATOM 1276 NZ LYS A 78 -9.045 13.370 -6.589 1.00 0.00 N ATOM 0 H LYS A 78 -8.182 15.935 -1.311 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.496 17.107 -3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.127 15.458 -2.048 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.973 16.401 -3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.625 14.571 -3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.299 14.057 -3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.778 15.397 -5.836 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.541 16.575 -5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.893 15.297 -7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.770 14.989 -6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.718 13.044 -7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.528 12.862 -5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.063 13.182 -6.494 1.00 0.00 H new ATOM 1290 N ARG A 79 -9.375 18.848 -1.364 1.00 0.00 N ATOM 1291 CA ARG A 79 -9.853 20.155 -0.944 1.00 0.00 C ATOM 1292 C ARG A 79 -8.807 21.210 -1.226 1.00 0.00 C ATOM 1293 O ARG A 79 -9.129 22.344 -1.581 1.00 0.00 O ATOM 1294 CB ARG A 79 -10.190 20.167 0.546 1.00 0.00 C ATOM 1295 CG ARG A 79 -11.468 19.444 0.916 1.00 0.00 C ATOM 1296 CD ARG A 79 -11.781 19.641 2.388 1.00 0.00 C ATOM 1297 NE ARG A 79 -13.070 19.073 2.772 1.00 0.00 N ATOM 1298 CZ ARG A 79 -13.606 19.198 3.986 1.00 0.00 C ATOM 1299 NH1 ARG A 79 -12.944 19.846 4.943 1.00 0.00 N ATOM 1300 NH2 ARG A 79 -14.798 18.672 4.248 1.00 0.00 N ATOM 0 H ARG A 79 -8.898 18.320 -0.633 1.00 0.00 H new ATOM 0 HA ARG A 79 -10.758 20.374 -1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.363 19.716 1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.266 21.202 0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.293 19.817 0.309 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.368 18.381 0.698 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.994 19.183 2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.776 20.707 2.617 1.00 0.00 H new ATOM 0 HE ARG A 79 -13.592 18.549 2.069 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.027 20.247 4.747 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.354 19.942 5.872 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -15.306 18.171 3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -15.205 18.770 5.178 1.00 0.00 H new ATOM 1314 N THR A 80 -7.554 20.833 -1.078 1.00 0.00 N ATOM 1315 CA THR A 80 -6.453 21.750 -1.279 1.00 0.00 C ATOM 1316 C THR A 80 -6.158 21.971 -2.758 1.00 0.00 C ATOM 1317 O THR A 80 -5.278 22.765 -3.109 1.00 0.00 O ATOM 1318 CB THR A 80 -5.186 21.254 -0.564 1.00 0.00 C ATOM 1319 OG1 THR A 80 -4.962 19.879 -0.886 1.00 0.00 O ATOM 1320 CG2 THR A 80 -5.324 21.407 0.945 1.00 0.00 C ATOM 0 H THR A 80 -7.272 19.888 -0.817 1.00 0.00 H new ATOM 0 HA THR A 80 -6.755 22.705 -0.848 1.00 0.00 H new ATOM 0 HB THR A 80 -4.340 21.855 -0.899 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.541 19.619 -1.633 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.416 21.050 1.431 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.479 22.457 1.192 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.176 20.823 1.293 1.00 0.00 H new ATOM 1328 N ASP A 81 -6.876 21.265 -3.627 1.00 0.00 N ATOM 1329 CA ASP A 81 -6.715 21.413 -5.061 1.00 0.00 C ATOM 1330 C ASP A 81 -7.164 22.783 -5.524 1.00 0.00 C ATOM 1331 O ASP A 81 -8.338 23.150 -5.373 1.00 0.00 O ATOM 1332 CB ASP A 81 -7.538 20.331 -5.782 1.00 0.00 C ATOM 1333 CG ASP A 81 -7.706 20.595 -7.271 1.00 0.00 C ATOM 1334 OD1 ASP A 81 -8.647 21.332 -7.645 1.00 0.00 O ATOM 1335 OD2 ASP A 81 -6.925 20.055 -8.065 1.00 0.00 O ATOM 0 H ASP A 81 -7.580 20.580 -3.354 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.658 21.301 -5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.054 19.364 -5.644 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.522 20.264 -5.319 1.00 0.00 H new ATOM 1340 N LEU A 82 -6.235 23.550 -6.042 1.00 0.00 N ATOM 1341 CA LEU A 82 -6.534 24.837 -6.613 1.00 0.00 C ATOM 1342 C LEU A 82 -5.437 25.169 -7.607 1.00 0.00 C ATOM 1343 O LEU A 82 -4.582 26.021 -7.344 1.00 0.00 O ATOM 1344 CB LEU A 82 -6.622 25.913 -5.506 1.00 0.00 C ATOM 1345 CG LEU A 82 -7.512 27.146 -5.792 1.00 0.00 C ATOM 1346 CD1 LEU A 82 -6.953 27.990 -6.926 1.00 0.00 C ATOM 1347 CD2 LEU A 82 -8.939 26.721 -6.097 1.00 0.00 C ATOM 0 H LEU A 82 -5.248 23.296 -6.078 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.499 24.814 -7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.988 25.435 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.612 26.266 -5.296 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.517 27.762 -4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.605 28.847 -7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.955 28.341 -6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.897 27.389 -7.834 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.547 27.604 -6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.946 26.072 -6.972 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.349 26.182 -5.243 1.00 0.00 H new ATOM 1359 N ASN A 83 -5.463 24.466 -8.742 1.00 0.00 N ATOM 1360 CA ASN A 83 -4.457 24.612 -9.796 1.00 0.00 C ATOM 1361 C ASN A 83 -4.579 23.472 -10.801 1.00 0.00 C ATOM 1362 O ASN A 83 -4.754 22.316 -10.415 1.00 0.00 O ATOM 1363 CB ASN A 83 -3.040 24.609 -9.221 1.00 0.00 C ATOM 1364 CG ASN A 83 -2.027 25.151 -10.202 1.00 0.00 C ATOM 1365 OD1 ASN A 83 -1.461 24.413 -11.005 1.00 0.00 O ATOM 1366 ND2 ASN A 83 -1.795 26.444 -10.146 1.00 0.00 N ATOM 0 H ASN A 83 -6.185 23.778 -8.956 1.00 0.00 H new ATOM 0 HA ASN A 83 -4.637 25.568 -10.288 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.018 25.207 -8.310 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.765 23.592 -8.941 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.123 26.870 -10.785 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.287 27.021 -9.464 1.00 0.00 H new ATOM 1373 N ILE A 84 -4.493 23.805 -12.079 1.00 0.00 N ATOM 1374 CA ILE A 84 -4.574 22.809 -13.154 1.00 0.00 C ATOM 1375 C ILE A 84 -3.480 21.734 -13.013 1.00 0.00 C ATOM 1376 O ILE A 84 -3.718 20.546 -13.282 1.00 0.00 O ATOM 1377 CB ILE A 84 -4.461 23.485 -14.548 1.00 0.00 C ATOM 1378 CG1 ILE A 84 -5.570 24.531 -14.733 1.00 0.00 C ATOM 1379 CG2 ILE A 84 -4.519 22.448 -15.666 1.00 0.00 C ATOM 1380 CD1 ILE A 84 -6.975 23.963 -14.650 1.00 0.00 C ATOM 0 H ILE A 84 -4.366 24.763 -12.406 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.547 22.326 -13.069 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.495 23.988 -14.599 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.456 25.304 -13.973 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.441 25.014 -15.701 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.438 22.948 -16.631 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.695 21.744 -15.552 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.466 21.910 -15.615 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.700 24.764 -14.791 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.110 23.211 -15.427 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.125 23.505 -13.672 1.00 0.00 H new ATOM 1392 N LEU A 85 -2.308 22.152 -12.553 1.00 0.00 N ATOM 1393 CA LEU A 85 -1.183 21.243 -12.393 1.00 0.00 C ATOM 1394 C LEU A 85 -1.438 20.288 -11.242 1.00 0.00 C ATOM 1395 O LEU A 85 -1.303 19.073 -11.390 1.00 0.00 O ATOM 1396 CB LEU A 85 0.115 22.012 -12.150 1.00 0.00 C ATOM 1397 CG LEU A 85 1.352 21.148 -11.903 1.00 0.00 C ATOM 1398 CD1 LEU A 85 1.738 20.386 -13.158 1.00 0.00 C ATOM 1399 CD2 LEU A 85 2.506 21.998 -11.408 1.00 0.00 C ATOM 0 H LEU A 85 -2.113 23.116 -12.284 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.078 20.673 -13.316 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.305 22.652 -13.012 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.027 22.668 -11.291 1.00 0.00 H new ATOM 0 HG LEU A 85 1.111 20.419 -11.129 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.621 19.778 -12.958 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.913 19.740 -13.459 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.958 21.092 -13.959 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.377 21.365 -11.238 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.747 22.754 -12.155 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.224 22.486 -10.475 1.00 0.00 H new ATOM 1411 N GLU A 86 -1.818 20.842 -10.095 1.00 0.00 N ATOM 1412 CA GLU A 86 -2.109 20.037 -8.922 1.00 0.00 C ATOM 1413 C GLU A 86 -3.223 19.052 -9.197 1.00 0.00 C ATOM 1414 O GLU A 86 -3.168 17.920 -8.735 1.00 0.00 O ATOM 1415 CB GLU A 86 -2.435 20.907 -7.709 1.00 0.00 C ATOM 1416 CG GLU A 86 -1.208 21.330 -6.909 1.00 0.00 C ATOM 1417 CD GLU A 86 -0.202 22.106 -7.725 1.00 0.00 C ATOM 1418 OE1 GLU A 86 0.698 21.477 -8.320 1.00 0.00 O ATOM 1419 OE2 GLU A 86 -0.294 23.349 -7.759 1.00 0.00 O ATOM 0 H GLU A 86 -1.931 21.846 -9.956 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.209 19.470 -8.687 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.964 21.799 -8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.114 20.361 -7.054 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.527 21.939 -6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.726 20.442 -6.499 1.00 0.00 H new ATOM 1426 N ARG A 87 -4.226 19.473 -9.969 1.00 0.00 N ATOM 1427 CA ARG A 87 -5.320 18.586 -10.346 1.00 0.00 C ATOM 1428 C ARG A 87 -4.766 17.360 -11.059 1.00 0.00 C ATOM 1429 O ARG A 87 -5.088 16.221 -10.716 1.00 0.00 O ATOM 1430 CB ARG A 87 -6.306 19.322 -11.263 1.00 0.00 C ATOM 1431 CG ARG A 87 -7.468 18.466 -11.758 1.00 0.00 C ATOM 1432 CD ARG A 87 -8.368 18.021 -10.617 1.00 0.00 C ATOM 1433 NE ARG A 87 -8.919 19.157 -9.880 1.00 0.00 N ATOM 1434 CZ ARG A 87 -10.180 19.597 -9.990 1.00 0.00 C ATOM 1435 NH1 ARG A 87 -11.032 19.001 -10.825 1.00 0.00 N ATOM 1436 NH2 ARG A 87 -10.579 20.631 -9.266 1.00 0.00 N ATOM 0 H ARG A 87 -4.301 20.419 -10.343 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.846 18.270 -9.445 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.707 20.183 -10.728 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.762 19.708 -12.125 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.053 19.032 -12.483 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.079 17.590 -12.277 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.183 17.416 -11.013 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.802 17.386 -9.935 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.300 19.650 -9.236 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.725 18.205 -11.385 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.990 19.341 -10.904 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.928 21.089 -8.628 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.538 20.970 -9.346 1.00 0.00 H new ATOM 1450 N PHE A 88 -3.914 17.616 -12.046 1.00 0.00 N ATOM 1451 CA PHE A 88 -3.280 16.564 -12.814 1.00 0.00 C ATOM 1452 C PHE A 88 -2.420 15.683 -11.910 1.00 0.00 C ATOM 1453 O PHE A 88 -2.459 14.461 -12.005 1.00 0.00 O ATOM 1454 CB PHE A 88 -2.434 17.178 -13.938 1.00 0.00 C ATOM 1455 CG PHE A 88 -1.609 16.183 -14.700 1.00 0.00 C ATOM 1456 CD1 PHE A 88 -2.215 15.201 -15.465 1.00 0.00 C ATOM 1457 CD2 PHE A 88 -0.226 16.234 -14.650 1.00 0.00 C ATOM 1458 CE1 PHE A 88 -1.456 14.287 -16.166 1.00 0.00 C ATOM 1459 CE2 PHE A 88 0.537 15.323 -15.349 1.00 0.00 C ATOM 1460 CZ PHE A 88 -0.079 14.347 -16.107 1.00 0.00 C ATOM 0 H PHE A 88 -3.647 18.558 -12.331 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.052 15.937 -13.259 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -3.095 17.694 -14.634 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.772 17.930 -13.510 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.293 15.150 -15.513 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.260 16.995 -14.057 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.939 13.525 -16.760 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.615 15.373 -15.304 1.00 0.00 H new ATOM 0 HZ PHE A 88 0.517 13.631 -16.653 1.00 0.00 H new ATOM 1470 N ASN A 89 -1.657 16.319 -11.034 1.00 0.00 N ATOM 1471 CA ASN A 89 -0.791 15.606 -10.093 1.00 0.00 C ATOM 1472 C ASN A 89 -1.604 14.666 -9.209 1.00 0.00 C ATOM 1473 O ASN A 89 -1.300 13.478 -9.105 1.00 0.00 O ATOM 1474 CB ASN A 89 -0.002 16.593 -9.218 1.00 0.00 C ATOM 1475 CG ASN A 89 1.047 17.363 -9.996 1.00 0.00 C ATOM 1476 OD1 ASN A 89 1.611 16.860 -10.971 1.00 0.00 O ATOM 1477 ND2 ASN A 89 1.319 18.588 -9.578 1.00 0.00 N ATOM 0 H ASN A 89 -1.617 17.335 -10.951 1.00 0.00 H new ATOM 0 HA ASN A 89 -0.086 15.014 -10.677 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -0.695 17.297 -8.758 1.00 0.00 H new ATOM 0 HB3 ASN A 89 0.482 16.047 -8.408 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.016 19.150 -10.066 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.832 18.970 -8.767 1.00 0.00 H new ATOM 1484 N TYR A 90 -2.632 15.212 -8.574 1.00 0.00 N ATOM 1485 CA TYR A 90 -3.522 14.442 -7.703 1.00 0.00 C ATOM 1486 C TYR A 90 -4.121 13.252 -8.439 1.00 0.00 C ATOM 1487 O TYR A 90 -4.010 12.109 -7.993 1.00 0.00 O ATOM 1488 CB TYR A 90 -4.649 15.336 -7.184 1.00 0.00 C ATOM 1489 CG TYR A 90 -4.211 16.447 -6.252 1.00 0.00 C ATOM 1490 CD1 TYR A 90 -2.869 16.686 -5.973 1.00 0.00 C ATOM 1491 CD2 TYR A 90 -5.149 17.249 -5.645 1.00 0.00 C ATOM 1492 CE1 TYR A 90 -2.486 17.697 -5.114 1.00 0.00 C ATOM 1493 CE2 TYR A 90 -4.778 18.257 -4.794 1.00 0.00 C ATOM 1494 CZ TYR A 90 -3.449 18.480 -4.527 1.00 0.00 C ATOM 1495 OH TYR A 90 -3.084 19.491 -3.663 1.00 0.00 O ATOM 0 H TYR A 90 -2.876 16.200 -8.645 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.930 14.070 -6.866 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -5.162 15.780 -8.037 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -5.376 14.712 -6.664 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.113 16.070 -6.437 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.197 17.081 -5.843 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.440 17.870 -4.906 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.532 18.877 -4.332 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.887 19.949 -3.337 1.00 0.00 H new ATOM 1505 N GLU A 91 -4.744 13.536 -9.568 1.00 0.00 N ATOM 1506 CA GLU A 91 -5.387 12.518 -10.388 1.00 0.00 C ATOM 1507 C GLU A 91 -4.381 11.460 -10.853 1.00 0.00 C ATOM 1508 O GLU A 91 -4.700 10.265 -10.908 1.00 0.00 O ATOM 1509 CB GLU A 91 -6.090 13.184 -11.567 1.00 0.00 C ATOM 1510 CG GLU A 91 -7.614 13.112 -11.489 1.00 0.00 C ATOM 1511 CD GLU A 91 -8.181 13.677 -10.189 1.00 0.00 C ATOM 1512 OE1 GLU A 91 -8.305 12.911 -9.197 1.00 0.00 O ATOM 1513 OE2 GLU A 91 -8.535 14.869 -10.158 1.00 0.00 O ATOM 0 H GLU A 91 -4.820 14.480 -9.946 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.133 11.997 -9.787 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.786 14.230 -11.617 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.759 12.711 -12.491 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.040 13.659 -12.330 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.927 12.073 -11.592 1.00 0.00 H new ATOM 1520 N GLU A 92 -3.165 11.895 -11.178 1.00 0.00 N ATOM 1521 CA GLU A 92 -2.115 10.973 -11.593 1.00 0.00 C ATOM 1522 C GLU A 92 -1.710 10.070 -10.438 1.00 0.00 C ATOM 1523 O GLU A 92 -1.607 8.849 -10.601 1.00 0.00 O ATOM 1524 CB GLU A 92 -0.893 11.722 -12.145 1.00 0.00 C ATOM 1525 CG GLU A 92 0.239 10.801 -12.582 1.00 0.00 C ATOM 1526 CD GLU A 92 1.354 11.530 -13.297 1.00 0.00 C ATOM 1527 OE1 GLU A 92 1.263 11.690 -14.532 1.00 0.00 O ATOM 1528 OE2 GLU A 92 2.339 11.930 -12.639 1.00 0.00 O ATOM 0 H GLU A 92 -2.885 12.876 -11.162 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.516 10.355 -12.397 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.203 12.331 -12.994 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.521 12.405 -11.382 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.646 10.295 -11.707 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.162 10.029 -13.239 1.00 0.00 H new ATOM 1535 N ALA A 93 -1.487 10.666 -9.264 1.00 0.00 N ATOM 1536 CA ALA A 93 -1.130 9.906 -8.078 1.00 0.00 C ATOM 1537 C ALA A 93 -2.216 8.895 -7.746 1.00 0.00 C ATOM 1538 O ALA A 93 -1.928 7.754 -7.383 1.00 0.00 O ATOM 1539 CB ALA A 93 -0.888 10.839 -6.900 1.00 0.00 C ATOM 0 H ALA A 93 -1.549 11.673 -9.116 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.207 9.363 -8.281 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.622 10.253 -6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.075 11.524 -7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.794 11.409 -6.695 1.00 0.00 H new ATOM 1545 N GLN A 94 -3.470 9.327 -7.884 1.00 0.00 N ATOM 1546 CA GLN A 94 -4.619 8.462 -7.656 1.00 0.00 C ATOM 1547 C GLN A 94 -4.584 7.292 -8.626 1.00 0.00 C ATOM 1548 O GLN A 94 -4.868 6.155 -8.260 1.00 0.00 O ATOM 1549 CB GLN A 94 -5.923 9.245 -7.836 1.00 0.00 C ATOM 1550 CG GLN A 94 -7.174 8.422 -7.579 1.00 0.00 C ATOM 1551 CD GLN A 94 -8.443 9.184 -7.882 1.00 0.00 C ATOM 1552 OE1 GLN A 94 -8.960 9.140 -8.999 1.00 0.00 O ATOM 1553 NE2 GLN A 94 -8.952 9.892 -6.899 1.00 0.00 N ATOM 0 H GLN A 94 -3.713 10.280 -8.155 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.575 8.086 -6.634 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -5.918 10.101 -7.161 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -5.961 9.640 -8.851 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -7.142 7.519 -8.189 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.186 8.102 -6.537 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.494 9.903 -5.988 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.805 10.431 -7.047 1.00 0.00 H new ATOM 1562 N THR A 95 -4.220 7.586 -9.862 1.00 0.00 N ATOM 1563 CA THR A 95 -4.115 6.576 -10.885 1.00 0.00 C ATOM 1564 C THR A 95 -3.077 5.515 -10.508 1.00 0.00 C ATOM 1565 O THR A 95 -3.372 4.315 -10.514 1.00 0.00 O ATOM 1566 CB THR A 95 -3.754 7.190 -12.252 1.00 0.00 C ATOM 1567 OG1 THR A 95 -4.738 8.176 -12.608 1.00 0.00 O ATOM 1568 CG2 THR A 95 -3.703 6.110 -13.329 1.00 0.00 C ATOM 0 H THR A 95 -3.991 8.529 -10.178 1.00 0.00 H new ATOM 0 HA THR A 95 -5.093 6.102 -10.966 1.00 0.00 H new ATOM 0 HB THR A 95 -2.772 7.656 -12.178 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.568 9.003 -12.110 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.447 6.563 -14.287 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.949 5.368 -13.065 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.677 5.626 -13.406 1.00 0.00 H new ATOM 1576 N LEU A 96 -1.887 5.960 -10.127 1.00 0.00 N ATOM 1577 CA LEU A 96 -0.809 5.044 -9.811 1.00 0.00 C ATOM 1578 C LEU A 96 -1.102 4.265 -8.536 1.00 0.00 C ATOM 1579 O LEU A 96 -0.833 3.066 -8.460 1.00 0.00 O ATOM 1580 CB LEU A 96 0.522 5.791 -9.661 1.00 0.00 C ATOM 1581 CG LEU A 96 0.979 6.596 -10.884 1.00 0.00 C ATOM 1582 CD1 LEU A 96 2.283 7.319 -10.584 1.00 0.00 C ATOM 1583 CD2 LEU A 96 1.140 5.689 -12.097 1.00 0.00 C ATOM 0 H LEU A 96 -1.648 6.947 -10.031 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.730 4.341 -10.641 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.442 6.470 -8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.298 5.066 -9.417 1.00 0.00 H new ATOM 0 HG LEU A 96 0.214 7.338 -11.112 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.595 7.886 -11.461 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.137 7.999 -9.745 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.053 6.590 -10.330 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.465 6.280 -12.953 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.885 4.923 -11.882 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.186 5.214 -12.325 1.00 0.00 H new ATOM 1595 N SER A 97 -1.667 4.944 -7.542 1.00 0.00 N ATOM 1596 CA SER A 97 -1.952 4.317 -6.265 1.00 0.00 C ATOM 1597 C SER A 97 -2.919 3.146 -6.404 1.00 0.00 C ATOM 1598 O SER A 97 -2.649 2.050 -5.922 1.00 0.00 O ATOM 1599 CB SER A 97 -2.458 5.340 -5.243 1.00 0.00 C ATOM 1600 OG SER A 97 -3.493 6.132 -5.776 1.00 0.00 O ATOM 0 H SER A 97 -1.934 5.927 -7.600 1.00 0.00 H new ATOM 0 HA SER A 97 -1.012 3.910 -5.893 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.816 4.821 -4.354 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.634 5.980 -4.928 1.00 0.00 H new ATOM 0 HG SER A 97 -3.110 6.824 -6.355 1.00 0.00 H new ATOM 1606 N LYS A 98 -4.038 3.375 -7.101 1.00 0.00 N ATOM 1607 CA LYS A 98 -5.041 2.331 -7.274 1.00 0.00 C ATOM 1608 C LYS A 98 -4.497 1.176 -8.107 1.00 0.00 C ATOM 1609 O LYS A 98 -4.898 0.028 -7.919 1.00 0.00 O ATOM 1610 CB LYS A 98 -6.336 2.889 -7.874 1.00 0.00 C ATOM 1611 CG LYS A 98 -6.163 3.535 -9.223 1.00 0.00 C ATOM 1612 CD LYS A 98 -7.504 3.889 -9.845 1.00 0.00 C ATOM 1613 CE LYS A 98 -7.334 4.569 -11.196 1.00 0.00 C ATOM 1614 NZ LYS A 98 -8.634 4.800 -11.872 1.00 0.00 N ATOM 0 H LYS A 98 -4.266 4.264 -7.547 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.282 1.942 -6.285 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.061 2.080 -7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.757 3.621 -7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.558 4.436 -9.122 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.620 2.860 -9.885 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.100 2.984 -9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.055 4.547 -9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.822 5.522 -11.060 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.699 3.954 -11.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.471 5.265 -12.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.112 3.889 -12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.232 5.408 -11.277 1.00 0.00 H new ATOM 1628 N ILE A 99 -3.575 1.477 -9.029 1.00 0.00 N ATOM 1629 CA ILE A 99 -2.936 0.427 -9.810 1.00 0.00 C ATOM 1630 C ILE A 99 -2.116 -0.474 -8.888 1.00 0.00 C ATOM 1631 O ILE A 99 -2.160 -1.702 -8.992 1.00 0.00 O ATOM 1632 CB ILE A 99 -2.024 0.993 -10.929 1.00 0.00 C ATOM 1633 CG1 ILE A 99 -2.871 1.702 -11.993 1.00 0.00 C ATOM 1634 CG2 ILE A 99 -1.198 -0.127 -11.560 1.00 0.00 C ATOM 1635 CD1 ILE A 99 -2.057 2.355 -13.092 1.00 0.00 C ATOM 0 H ILE A 99 -3.263 2.424 -9.246 1.00 0.00 H new ATOM 0 HA ILE A 99 -3.728 -0.146 -10.293 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.339 1.719 -10.490 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.554 0.980 -12.440 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.484 2.462 -11.508 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.563 0.286 -12.344 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.575 -0.594 -10.797 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.866 -0.873 -11.990 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.727 2.835 -13.805 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.393 3.103 -12.658 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.464 1.598 -13.605 1.00 0.00 H new ATOM 1647 N LEU A 100 -1.395 0.157 -7.965 1.00 0.00 N ATOM 1648 CA LEU A 100 -0.575 -0.563 -7.003 1.00 0.00 C ATOM 1649 C LEU A 100 -1.445 -1.452 -6.126 1.00 0.00 C ATOM 1650 O LEU A 100 -1.123 -2.613 -5.897 1.00 0.00 O ATOM 1651 CB LEU A 100 0.241 0.408 -6.141 1.00 0.00 C ATOM 1652 CG LEU A 100 1.264 1.268 -6.891 1.00 0.00 C ATOM 1653 CD1 LEU A 100 1.979 2.203 -5.933 1.00 0.00 C ATOM 1654 CD2 LEU A 100 2.267 0.391 -7.630 1.00 0.00 C ATOM 0 H LEU A 100 -1.364 1.172 -7.865 1.00 0.00 H new ATOM 0 HA LEU A 100 0.123 -1.192 -7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.450 1.071 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.767 -0.167 -5.379 1.00 0.00 H new ATOM 0 HG LEU A 100 0.730 1.870 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.701 2.805 -6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.252 2.858 -5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.498 1.618 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.984 1.022 -8.156 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.795 -0.240 -6.915 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.741 -0.237 -8.349 1.00 0.00 H new ATOM 1666 N LEU A 101 -2.567 -0.901 -5.662 1.00 0.00 N ATOM 1667 CA LEU A 101 -3.521 -1.650 -4.839 1.00 0.00 C ATOM 1668 C LEU A 101 -3.979 -2.919 -5.561 1.00 0.00 C ATOM 1669 O LEU A 101 -4.097 -3.984 -4.951 1.00 0.00 O ATOM 1670 CB LEU A 101 -4.745 -0.767 -4.486 1.00 0.00 C ATOM 1671 CG LEU A 101 -4.656 0.074 -3.191 1.00 0.00 C ATOM 1672 CD1 LEU A 101 -4.611 -0.829 -1.970 1.00 0.00 C ATOM 1673 CD2 LEU A 101 -3.445 0.991 -3.212 1.00 0.00 C ATOM 0 H LEU A 101 -2.839 0.065 -5.842 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.019 -1.938 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.924 -0.087 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.619 -1.414 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.550 0.695 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.548 -0.219 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.514 -1.438 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.738 -1.479 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.410 1.569 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.538 0.394 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.517 1.670 -4.062 1.00 0.00 H new ATOM 1685 N LYS A 102 -4.208 -2.806 -6.864 1.00 0.00 N ATOM 1686 CA LYS A 102 -4.633 -3.947 -7.663 1.00 0.00 C ATOM 1687 C LYS A 102 -3.524 -4.990 -7.779 1.00 0.00 C ATOM 1688 O LYS A 102 -3.803 -6.191 -7.785 1.00 0.00 O ATOM 1689 CB LYS A 102 -5.081 -3.508 -9.058 1.00 0.00 C ATOM 1690 CG LYS A 102 -6.301 -2.602 -9.063 1.00 0.00 C ATOM 1691 CD LYS A 102 -6.837 -2.402 -10.474 1.00 0.00 C ATOM 1692 CE LYS A 102 -5.797 -1.780 -11.395 1.00 0.00 C ATOM 1693 NZ LYS A 102 -6.294 -1.660 -12.784 1.00 0.00 N ATOM 0 H LYS A 102 -4.106 -1.937 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.481 -4.400 -7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.256 -2.990 -9.546 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.298 -4.395 -9.654 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.080 -3.034 -8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.041 -1.636 -8.630 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.154 -3.362 -10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.720 -1.763 -10.440 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.523 -0.794 -11.020 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.892 -2.387 -11.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.557 -1.232 -13.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -6.531 -2.604 -13.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -7.143 -1.060 -12.798 1.00 0.00 H new ATOM 1707 N ASP A 103 -2.268 -4.549 -7.862 1.00 0.00 N ATOM 1708 CA ASP A 103 -1.155 -5.494 -7.991 1.00 0.00 C ATOM 1709 C ASP A 103 -0.958 -6.252 -6.682 1.00 0.00 C ATOM 1710 O ASP A 103 -0.623 -7.441 -6.686 1.00 0.00 O ATOM 1711 CB ASP A 103 0.141 -4.778 -8.377 1.00 0.00 C ATOM 1712 CG ASP A 103 1.110 -5.688 -9.106 1.00 0.00 C ATOM 1713 OD1 ASP A 103 1.707 -6.566 -8.465 1.00 0.00 O ATOM 1714 OD2 ASP A 103 1.281 -5.513 -10.333 1.00 0.00 O ATOM 0 H ASP A 103 -1.998 -3.566 -7.843 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.403 -6.198 -8.785 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.095 -3.922 -9.009 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.619 -4.388 -7.478 1.00 0.00 H new ATOM 1719 N LEU A 104 -1.178 -5.577 -5.555 1.00 0.00 N ATOM 1720 CA LEU A 104 -1.092 -6.239 -4.256 1.00 0.00 C ATOM 1721 C LEU A 104 -2.173 -7.311 -4.154 1.00 0.00 C ATOM 1722 O LEU A 104 -1.919 -8.429 -3.699 1.00 0.00 O ATOM 1723 CB LEU A 104 -1.236 -5.227 -3.101 1.00 0.00 C ATOM 1724 CG LEU A 104 0.060 -4.542 -2.621 1.00 0.00 C ATOM 1725 CD1 LEU A 104 0.710 -3.738 -3.732 1.00 0.00 C ATOM 1726 CD2 LEU A 104 -0.223 -3.651 -1.421 1.00 0.00 C ATOM 0 H LEU A 104 -1.414 -4.585 -5.515 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.109 -6.703 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.937 -4.452 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.685 -5.741 -2.251 1.00 0.00 H new ATOM 0 HG LEU A 104 0.758 -5.325 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.620 -3.270 -3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.957 -4.399 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.020 -2.967 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.702 -3.175 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.947 -2.885 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.627 -4.254 -0.608 1.00 0.00 H new ATOM 1738 N LYS A 105 -3.382 -6.957 -4.597 1.00 0.00 N ATOM 1739 CA LYS A 105 -4.515 -7.880 -4.603 1.00 0.00 C ATOM 1740 C LYS A 105 -4.265 -9.072 -5.522 1.00 0.00 C ATOM 1741 O LYS A 105 -4.754 -10.175 -5.274 1.00 0.00 O ATOM 1742 CB LYS A 105 -5.808 -7.148 -4.982 1.00 0.00 C ATOM 1743 CG LYS A 105 -6.250 -6.136 -3.934 1.00 0.00 C ATOM 1744 CD LYS A 105 -6.430 -6.811 -2.585 1.00 0.00 C ATOM 1745 CE LYS A 105 -6.748 -5.829 -1.481 1.00 0.00 C ATOM 1746 NZ LYS A 105 -6.867 -6.525 -0.174 1.00 0.00 N ATOM 0 H LYS A 105 -3.600 -6.029 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.630 -8.272 -3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.664 -6.637 -5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.603 -7.879 -5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.509 -5.340 -3.853 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -7.186 -5.670 -4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.232 -7.546 -2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.520 -7.355 -2.331 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.966 -5.072 -1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.679 -5.309 -1.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.381 -5.971 0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.872 -6.625 0.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.432 -7.467 -0.242 1.00 0.00 H new ATOM 1760 N GLU A 106 -3.494 -8.848 -6.565 1.00 0.00 N ATOM 1761 CA GLU A 106 -3.116 -9.908 -7.483 1.00 0.00 C ATOM 1762 C GLU A 106 -2.186 -10.886 -6.758 1.00 0.00 C ATOM 1763 O GLU A 106 -2.298 -12.111 -6.894 1.00 0.00 O ATOM 1764 CB GLU A 106 -2.400 -9.292 -8.692 1.00 0.00 C ATOM 1765 CG GLU A 106 -1.993 -10.285 -9.762 1.00 0.00 C ATOM 1766 CD GLU A 106 -3.176 -10.949 -10.417 1.00 0.00 C ATOM 1767 OE1 GLU A 106 -3.967 -10.245 -11.089 1.00 0.00 O ATOM 1768 OE2 GLU A 106 -3.311 -12.175 -10.293 1.00 0.00 O ATOM 0 H GLU A 106 -3.112 -7.932 -6.802 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.000 -10.444 -7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.053 -8.543 -9.140 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.509 -8.770 -8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.402 -9.773 -10.521 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.352 -11.048 -9.320 1.00 0.00 H new ATOM 1775 N THR A 107 -1.290 -10.320 -5.969 1.00 0.00 N ATOM 1776 CA THR A 107 -0.327 -11.085 -5.209 1.00 0.00 C ATOM 1777 C THR A 107 -1.012 -11.948 -4.131 1.00 0.00 C ATOM 1778 O THR A 107 -0.790 -13.165 -4.085 1.00 0.00 O ATOM 1779 CB THR A 107 0.713 -10.149 -4.563 1.00 0.00 C ATOM 1780 OG1 THR A 107 1.257 -9.281 -5.574 1.00 0.00 O ATOM 1781 CG2 THR A 107 1.843 -10.949 -3.925 1.00 0.00 C ATOM 0 H THR A 107 -1.213 -9.311 -5.839 1.00 0.00 H new ATOM 0 HA THR A 107 0.181 -11.757 -5.900 1.00 0.00 H new ATOM 0 HB THR A 107 0.222 -9.564 -3.786 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.587 -8.612 -5.826 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.564 -10.266 -3.476 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.435 -11.604 -3.155 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.339 -11.550 -4.687 1.00 0.00 H new ATOM 1789 N GLU A 108 -1.840 -11.332 -3.263 1.00 0.00 N ATOM 1790 CA GLU A 108 -2.555 -12.099 -2.229 1.00 0.00 C ATOM 1791 C GLU A 108 -3.397 -13.219 -2.848 1.00 0.00 C ATOM 1792 O GLU A 108 -3.489 -14.304 -2.296 1.00 0.00 O ATOM 1793 CB GLU A 108 -3.420 -11.192 -1.322 1.00 0.00 C ATOM 1794 CG GLU A 108 -4.514 -10.427 -2.033 1.00 0.00 C ATOM 1795 CD GLU A 108 -5.487 -9.759 -1.071 1.00 0.00 C ATOM 1796 OE1 GLU A 108 -5.158 -8.686 -0.520 1.00 0.00 O ATOM 1797 OE2 GLU A 108 -6.597 -10.300 -0.864 1.00 0.00 O ATOM 0 H GLU A 108 -2.026 -10.329 -3.257 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.796 -12.557 -1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.875 -11.808 -0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.767 -10.478 -0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.064 -9.668 -2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.063 -11.107 -2.684 1.00 0.00 H new ATOM 1804 N GLN A 109 -3.994 -12.950 -4.001 1.00 0.00 N ATOM 1805 CA GLN A 109 -4.771 -13.958 -4.708 1.00 0.00 C ATOM 1806 C GLN A 109 -3.916 -15.193 -5.003 1.00 0.00 C ATOM 1807 O GLN A 109 -4.307 -16.322 -4.703 1.00 0.00 O ATOM 1808 CB GLN A 109 -5.317 -13.393 -6.019 1.00 0.00 C ATOM 1809 CG GLN A 109 -6.127 -14.392 -6.829 1.00 0.00 C ATOM 1810 CD GLN A 109 -6.501 -13.864 -8.194 1.00 0.00 C ATOM 1811 OE1 GLN A 109 -5.776 -14.061 -9.169 1.00 0.00 O ATOM 1812 NE2 GLN A 109 -7.628 -13.195 -8.275 1.00 0.00 N ATOM 0 H GLN A 109 -3.955 -12.043 -4.466 1.00 0.00 H new ATOM 0 HA GLN A 109 -5.604 -14.247 -4.068 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -5.942 -12.527 -5.798 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -4.484 -13.038 -6.626 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -5.553 -15.312 -6.944 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -7.034 -14.648 -6.281 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -8.199 -13.055 -7.441 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.933 -12.816 -9.171 1.00 0.00 H new ATOM 1821 N LYS A 110 -2.738 -14.962 -5.563 1.00 0.00 N ATOM 1822 CA LYS A 110 -1.842 -16.042 -5.959 1.00 0.00 C ATOM 1823 C LYS A 110 -1.335 -16.877 -4.781 1.00 0.00 C ATOM 1824 O LYS A 110 -1.258 -18.112 -4.867 1.00 0.00 O ATOM 1825 CB LYS A 110 -0.695 -15.501 -6.795 1.00 0.00 C ATOM 1826 CG LYS A 110 -1.098 -15.244 -8.232 1.00 0.00 C ATOM 1827 CD LYS A 110 -0.071 -14.430 -8.980 1.00 0.00 C ATOM 1828 CE LYS A 110 -0.349 -14.451 -10.475 1.00 0.00 C ATOM 1829 NZ LYS A 110 -1.788 -14.230 -10.783 1.00 0.00 N ATOM 0 H LYS A 110 -2.377 -14.028 -5.755 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.429 -16.728 -6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.331 -14.574 -6.351 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.132 -16.210 -6.774 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.244 -16.196 -8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.055 -14.722 -8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.082 -13.402 -8.618 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.926 -14.826 -8.785 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.248 -13.681 -10.965 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.034 -15.409 -10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.915 -14.151 -11.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.347 -15.031 -10.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.110 -13.353 -10.326 1.00 0.00 H new ATOM 1843 N VAL A 111 -1.001 -16.219 -3.680 1.00 0.00 N ATOM 1844 CA VAL A 111 -0.530 -16.937 -2.513 1.00 0.00 C ATOM 1845 C VAL A 111 -1.656 -17.800 -1.945 1.00 0.00 C ATOM 1846 O VAL A 111 -1.424 -18.897 -1.455 1.00 0.00 O ATOM 1847 CB VAL A 111 0.053 -15.997 -1.423 1.00 0.00 C ATOM 1848 CG1 VAL A 111 1.219 -15.200 -1.965 1.00 0.00 C ATOM 1849 CG2 VAL A 111 -0.998 -15.068 -0.864 1.00 0.00 C ATOM 0 H VAL A 111 -1.047 -15.206 -3.574 1.00 0.00 H new ATOM 0 HA VAL A 111 0.291 -17.578 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 111 0.408 -16.630 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.610 -14.549 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.003 -15.881 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.885 -14.594 -2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.550 -14.427 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.403 -14.452 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.801 -15.654 -0.417 1.00 0.00 H new ATOM 1859 N LYS A 112 -2.885 -17.286 -2.040 1.00 0.00 N ATOM 1860 CA LYS A 112 -4.074 -18.027 -1.633 1.00 0.00 C ATOM 1861 C LYS A 112 -4.381 -19.144 -2.627 1.00 0.00 C ATOM 1862 O LYS A 112 -5.141 -20.065 -2.329 1.00 0.00 O ATOM 1863 CB LYS A 112 -5.269 -17.082 -1.528 1.00 0.00 C ATOM 1864 CG LYS A 112 -5.128 -16.034 -0.438 1.00 0.00 C ATOM 1865 CD LYS A 112 -6.146 -14.911 -0.600 1.00 0.00 C ATOM 1866 CE LYS A 112 -7.570 -15.426 -0.538 1.00 0.00 C ATOM 1867 NZ LYS A 112 -7.884 -16.019 0.782 1.00 0.00 N ATOM 0 H LYS A 112 -3.080 -16.351 -2.399 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.883 -18.474 -0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.409 -16.580 -2.486 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.169 -17.668 -1.341 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -5.257 -16.504 0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.121 -15.618 -0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -5.994 -14.168 0.183 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -5.983 -14.408 -1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.261 -14.608 -0.743 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.720 -16.173 -1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.903 -16.220 0.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.349 -16.903 0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.621 -15.351 1.534 1.00 0.00 H new ATOM 1881 N ASP A 113 -3.811 -19.041 -3.823 1.00 0.00 N ATOM 1882 CA ASP A 113 -3.985 -20.072 -4.835 1.00 0.00 C ATOM 1883 C ASP A 113 -3.134 -21.275 -4.522 1.00 0.00 C ATOM 1884 O ASP A 113 -3.476 -22.400 -4.900 1.00 0.00 O ATOM 1885 CB ASP A 113 -3.669 -19.569 -6.242 1.00 0.00 C ATOM 1886 CG ASP A 113 -4.764 -18.710 -6.829 1.00 0.00 C ATOM 1887 OD1 ASP A 113 -5.958 -18.984 -6.558 1.00 0.00 O ATOM 1888 OD2 ASP A 113 -4.440 -17.770 -7.590 1.00 0.00 O ATOM 0 H ASP A 113 -3.227 -18.257 -4.113 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.038 -20.355 -4.814 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.742 -18.996 -6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.497 -20.424 -6.896 1.00 0.00 H new ATOM 1893 N ILE A 114 -2.014 -21.048 -3.843 1.00 0.00 N ATOM 1894 CA ILE A 114 -1.152 -22.145 -3.431 1.00 0.00 C ATOM 1895 C ILE A 114 -1.759 -22.866 -2.226 1.00 0.00 C ATOM 1896 O ILE A 114 -1.887 -22.296 -1.140 1.00 0.00 O ATOM 1897 CB ILE A 114 0.311 -21.660 -3.094 1.00 0.00 C ATOM 1898 CG1 ILE A 114 1.189 -21.631 -4.351 1.00 0.00 C ATOM 1899 CG2 ILE A 114 0.967 -22.533 -2.032 1.00 0.00 C ATOM 1900 CD1 ILE A 114 0.703 -20.703 -5.431 1.00 0.00 C ATOM 0 H ILE A 114 -1.686 -20.122 -3.569 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.079 -22.836 -4.271 1.00 0.00 H new ATOM 0 HB ILE A 114 0.222 -20.648 -2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.200 -21.339 -4.066 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.252 -22.640 -4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.973 -22.165 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.376 -22.498 -1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.022 -23.561 -2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 114 1.384 -20.746 -6.281 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.295 -21.006 -5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.668 -19.684 -5.046 1.00 0.00 H new ATOM 1912 N GLN A 115 -2.181 -24.096 -2.442 1.00 0.00 N ATOM 1913 CA GLN A 115 -2.701 -24.913 -1.362 1.00 0.00 C ATOM 1914 C GLN A 115 -1.573 -25.281 -0.410 1.00 0.00 C ATOM 1915 O GLN A 115 -0.536 -25.800 -0.829 1.00 0.00 O ATOM 1916 CB GLN A 115 -3.365 -26.179 -1.900 1.00 0.00 C ATOM 1917 CG GLN A 115 -2.493 -26.955 -2.860 1.00 0.00 C ATOM 1918 CD GLN A 115 -3.051 -28.320 -3.186 1.00 0.00 C ATOM 1919 OE1 GLN A 115 -2.715 -29.310 -2.542 1.00 0.00 O ATOM 1920 NE2 GLN A 115 -3.910 -28.387 -4.180 1.00 0.00 N ATOM 0 H GLN A 115 -2.174 -24.552 -3.354 1.00 0.00 H new ATOM 0 HA GLN A 115 -3.456 -24.337 -0.827 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -3.633 -26.823 -1.063 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -4.293 -25.907 -2.403 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -2.379 -26.385 -3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -1.498 -27.068 -2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -4.165 -27.542 -4.692 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -4.321 -29.284 -4.439 1.00 0.00 H new ATOM 1929 N THR A 116 -1.765 -25.000 0.849 1.00 0.00 N ATOM 1930 CA THR A 116 -0.753 -25.271 1.833 1.00 0.00 C ATOM 1931 C THR A 116 -1.226 -26.296 2.842 1.00 0.00 C ATOM 1932 O THR A 116 -2.386 -26.719 2.805 1.00 0.00 O ATOM 1933 CB THR A 116 -0.333 -23.984 2.551 1.00 0.00 C ATOM 1934 OG1 THR A 116 -1.495 -23.312 3.067 1.00 0.00 O ATOM 1935 CG2 THR A 116 0.400 -23.065 1.591 1.00 0.00 C ATOM 0 H THR A 116 -2.618 -24.581 1.220 1.00 0.00 H new ATOM 0 HA THR A 116 0.111 -25.680 1.309 1.00 0.00 H new ATOM 0 HB THR A 116 0.332 -24.243 3.375 1.00 0.00 H new ATOM 0 HG1 THR A 116 -1.672 -22.508 2.535 1.00 0.00 H new ATOM 0 HG21 THR A 116 0.694 -22.154 2.112 1.00 0.00 H new ATOM 0 HG22 THR A 116 1.289 -23.569 1.212 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.256 -22.811 0.758 1.00 0.00 H new ATOM 1943 N GLN A 117 -0.318 -26.676 3.743 1.00 0.00 N ATOM 1944 CA GLN A 117 -0.579 -27.642 4.791 1.00 0.00 C ATOM 1945 C GLN A 117 -1.125 -28.960 4.222 1.00 0.00 C ATOM 1946 O GLN A 117 -2.365 -29.135 4.167 1.00 0.00 O ATOM 1947 CB GLN A 117 -1.536 -27.048 5.822 1.00 0.00 C ATOM 1948 CG GLN A 117 -1.602 -27.822 7.115 1.00 0.00 C ATOM 1949 CD GLN A 117 -0.267 -27.889 7.831 1.00 0.00 C ATOM 1950 OE1 GLN A 117 0.076 -27.009 8.618 1.00 0.00 O ATOM 1951 NE2 GLN A 117 0.482 -28.942 7.581 1.00 0.00 N ATOM 1952 OXT GLN A 117 -0.312 -29.809 3.833 1.00 0.00 O ATOM 0 H GLN A 117 0.634 -26.310 3.758 1.00 0.00 H new ATOM 0 HA GLN A 117 0.365 -27.875 5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.231 -26.024 6.038 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.535 -26.998 5.389 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -2.338 -27.360 7.772 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -1.950 -28.834 6.909 1.00 0.00 H new ATOM 0 HE21 GLN A 117 0.162 -29.651 6.921 1.00 0.00 H new ATOM 0 HE22 GLN A 117 1.383 -29.049 8.047 1.00 0.00 H new TER 1961 GLN A 117