USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 779 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 70 ASN : amide:sc= 0.101 K(o=-1.6,f=-3.1) USER MOD Set 1.2: A 72 ASN : amide:sc= -1.72! C(o=-1.6!,f=-6.5!) USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= 0.0131 USER MOD Set 2.2: A 39 SER OG : rot 87:sc= 0.0108 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.073 (180deg=-0.0344) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0136 X(o=-0.014,f=-0.014) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 45:sc= 0.236 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.00044) USER MOD Single : A 15 LYS NZ :NH3+ 179:sc= 1.17 (180deg=1.11) USER MOD Single : A 17 HIS : no HE2:sc= -0.97! C(o=-0.65!,f=-7.1!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 1.29 (180deg=1.11) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 1.27 (180deg=1.18) USER MOD Single : A 26 GLN : amide:sc= -2.39! C(o=-2.4!,f=-7.5!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -8:sc= 1.05 USER MOD Single : A 38 SER OG : rot 69:sc= 1.27 USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= 0.737 (180deg=0.452) USER MOD Single : A 43 LYS NZ :NH3+ -108:sc= 0.143 (180deg=-1.28!) USER MOD Single : A 45 HIS : no HE2:sc= -0.3 K(o=-0.3,f=-3.8!) USER MOD Single : A 49 ASN : amide:sc= 0.465 K(o=0.46,f=-6.1!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 158:sc= -0.744 (180deg=-2.13!) USER MOD Single : A 56 GLN : amide:sc= -0.301 K(o=-0.3,f=-1.2) USER MOD Single : A 58 TYR OH : rot -149:sc= 1.24 USER MOD Single : A 59 TYR OH : rot 109:sc= 0.146 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 90:sc= 1.23 USER MOD Single : A 74 TYR OH : rot 45:sc= -0.17 USER MOD Single : A 77 THR OG1 : rot -113:sc= 0.166 USER MOD Single : A 80 SER OG : rot -101:sc= 0.408 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0302 USER MOD Single : A 90 ASN : amide:sc= -0.947 K(o=-0.95,f=-8.5!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.787 -10.570 7.920 1.00 0.00 N ATOM 2 CA MET A 1 -16.791 -10.519 6.834 1.00 0.00 C ATOM 3 C MET A 1 -16.189 -11.014 5.525 1.00 0.00 C ATOM 4 O MET A 1 -14.974 -10.948 5.320 1.00 0.00 O ATOM 5 CB MET A 1 -17.328 -9.091 6.660 1.00 0.00 C ATOM 6 CG MET A 1 -16.278 -8.081 6.220 1.00 0.00 C ATOM 7 SD MET A 1 -16.951 -6.419 6.024 1.00 0.00 S ATOM 8 CE MET A 1 -15.490 -5.515 5.513 1.00 0.00 C ATOM 0 H1 MET A 1 -15.822 -9.686 8.467 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.994 -11.374 8.547 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.838 -10.686 7.510 1.00 0.00 H new ATOM 0 HA MET A 1 -17.620 -11.172 7.107 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.134 -9.104 5.926 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.762 -8.760 7.604 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.472 -8.058 6.953 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.841 -8.405 5.276 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.747 -4.468 5.353 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.728 -5.587 6.289 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.105 -5.940 4.586 1.00 0.00 H new ATOM 20 N GLY A 2 -17.041 -11.523 4.648 1.00 0.00 N ATOM 21 CA GLY A 2 -16.588 -12.015 3.367 1.00 0.00 C ATOM 22 C GLY A 2 -17.597 -11.738 2.277 1.00 0.00 C ATOM 23 O GLY A 2 -18.586 -12.458 2.137 1.00 0.00 O ATOM 0 H GLY A 2 -18.046 -11.604 4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -15.638 -11.546 3.112 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -16.407 -13.088 3.432 1.00 0.00 H new ATOM 27 N HIS A 3 -17.366 -10.674 1.522 1.00 0.00 N ATOM 28 CA HIS A 3 -18.248 -10.314 0.420 1.00 0.00 C ATOM 29 C HIS A 3 -17.449 -9.924 -0.815 1.00 0.00 C ATOM 30 O HIS A 3 -16.784 -8.889 -0.844 1.00 0.00 O ATOM 31 CB HIS A 3 -19.192 -9.171 0.809 1.00 0.00 C ATOM 32 CG HIS A 3 -20.340 -9.603 1.670 1.00 0.00 C ATOM 33 ND1 HIS A 3 -20.560 -9.116 2.939 1.00 0.00 N ATOM 34 CD2 HIS A 3 -21.346 -10.474 1.428 1.00 0.00 C ATOM 35 CE1 HIS A 3 -21.647 -9.670 3.439 1.00 0.00 C ATOM 36 NE2 HIS A 3 -22.146 -10.499 2.544 1.00 0.00 N ATOM 0 H HIS A 3 -16.575 -10.044 1.652 1.00 0.00 H new ATOM 0 HA HIS A 3 -18.848 -11.194 0.188 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -18.623 -8.405 1.336 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -19.583 -8.710 -0.098 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -21.493 -11.045 0.523 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -22.060 -9.477 4.418 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -22.987 -11.065 2.661 1.00 0.00 H new ATOM 45 N HIS A 4 -17.497 -10.780 -1.822 1.00 0.00 N ATOM 46 CA HIS A 4 -16.901 -10.485 -3.120 1.00 0.00 C ATOM 47 C HIS A 4 -17.995 -10.404 -4.178 1.00 0.00 C ATOM 48 O HIS A 4 -17.722 -10.292 -5.375 1.00 0.00 O ATOM 49 CB HIS A 4 -15.876 -11.556 -3.514 1.00 0.00 C ATOM 50 CG HIS A 4 -14.583 -11.479 -2.760 1.00 0.00 C ATOM 51 ND1 HIS A 4 -13.408 -11.024 -3.320 1.00 0.00 N ATOM 52 CD2 HIS A 4 -14.281 -11.820 -1.486 1.00 0.00 C ATOM 53 CE1 HIS A 4 -12.442 -11.089 -2.424 1.00 0.00 C ATOM 54 NE2 HIS A 4 -12.944 -11.570 -1.302 1.00 0.00 N ATOM 0 H HIS A 4 -17.946 -11.694 -1.767 1.00 0.00 H new ATOM 0 HA HIS A 4 -16.384 -9.528 -3.051 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -16.317 -12.540 -3.356 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -15.667 -11.468 -4.580 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -14.965 -12.216 -0.750 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -11.414 -10.798 -2.582 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -12.424 -11.730 -0.439 1.00 0.00 H new ATOM 63 N HIS A 5 -19.239 -10.467 -3.729 1.00 0.00 N ATOM 64 CA HIS A 5 -20.381 -10.444 -4.625 1.00 0.00 C ATOM 65 C HIS A 5 -21.384 -9.391 -4.170 1.00 0.00 C ATOM 66 O HIS A 5 -21.823 -9.394 -3.022 1.00 0.00 O ATOM 67 CB HIS A 5 -21.036 -11.828 -4.661 1.00 0.00 C ATOM 68 CG HIS A 5 -22.210 -11.936 -5.583 1.00 0.00 C ATOM 69 ND1 HIS A 5 -23.510 -11.977 -5.133 1.00 0.00 N ATOM 70 CD2 HIS A 5 -22.276 -12.046 -6.929 1.00 0.00 C ATOM 71 CE1 HIS A 5 -24.325 -12.109 -6.158 1.00 0.00 C ATOM 72 NE2 HIS A 5 -23.603 -12.154 -7.262 1.00 0.00 N ATOM 0 H HIS A 5 -19.483 -10.535 -2.741 1.00 0.00 H new ATOM 0 HA HIS A 5 -20.044 -10.187 -5.629 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -20.288 -12.562 -4.959 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -21.357 -12.090 -3.653 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -21.441 -12.048 -7.614 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -25.402 -12.170 -6.105 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -23.971 -12.253 -8.208 1.00 0.00 H new ATOM 81 N HIS A 6 -21.733 -8.489 -5.072 1.00 0.00 N ATOM 82 CA HIS A 6 -22.696 -7.439 -4.767 1.00 0.00 C ATOM 83 C HIS A 6 -23.443 -7.026 -6.026 1.00 0.00 C ATOM 84 O HIS A 6 -22.873 -7.009 -7.114 1.00 0.00 O ATOM 85 CB HIS A 6 -22.003 -6.221 -4.127 1.00 0.00 C ATOM 86 CG HIS A 6 -21.008 -5.525 -5.013 1.00 0.00 C ATOM 87 ND1 HIS A 6 -21.180 -4.236 -5.470 1.00 0.00 N ATOM 88 CD2 HIS A 6 -19.820 -5.943 -5.515 1.00 0.00 C ATOM 89 CE1 HIS A 6 -20.144 -3.895 -6.216 1.00 0.00 C ATOM 90 NE2 HIS A 6 -19.305 -4.912 -6.261 1.00 0.00 N ATOM 0 H HIS A 6 -21.365 -8.461 -6.023 1.00 0.00 H new ATOM 0 HA HIS A 6 -23.413 -7.834 -4.048 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -22.766 -5.503 -3.827 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -21.495 -6.545 -3.219 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -19.363 -6.909 -5.357 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -20.007 -2.943 -6.707 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -18.419 -4.929 -6.767 1.00 0.00 H new ATOM 99 N HIS A 7 -24.719 -6.706 -5.876 1.00 0.00 N ATOM 100 CA HIS A 7 -25.540 -6.297 -7.009 1.00 0.00 C ATOM 101 C HIS A 7 -25.557 -4.780 -7.126 1.00 0.00 C ATOM 102 O HIS A 7 -25.477 -4.223 -8.219 1.00 0.00 O ATOM 103 CB HIS A 7 -26.975 -6.805 -6.859 1.00 0.00 C ATOM 104 CG HIS A 7 -27.111 -8.293 -6.898 1.00 0.00 C ATOM 105 ND1 HIS A 7 -27.583 -9.030 -5.836 1.00 0.00 N ATOM 106 CD2 HIS A 7 -26.869 -9.179 -7.890 1.00 0.00 C ATOM 107 CE1 HIS A 7 -27.625 -10.304 -6.171 1.00 0.00 C ATOM 108 NE2 HIS A 7 -27.200 -10.426 -7.416 1.00 0.00 N ATOM 0 H HIS A 7 -25.210 -6.721 -4.982 1.00 0.00 H new ATOM 0 HA HIS A 7 -25.105 -6.730 -7.909 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -27.380 -6.440 -5.915 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -27.584 -6.376 -7.654 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -26.486 -8.949 -8.873 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -27.952 -11.113 -5.534 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -27.129 -11.299 -7.938 1.00 0.00 H new ATOM 117 N HIS A 8 -25.672 -4.122 -5.985 1.00 0.00 N ATOM 118 CA HIS A 8 -25.712 -2.670 -5.925 1.00 0.00 C ATOM 119 C HIS A 8 -24.944 -2.181 -4.710 1.00 0.00 C ATOM 120 O HIS A 8 -24.314 -2.976 -4.008 1.00 0.00 O ATOM 121 CB HIS A 8 -27.158 -2.165 -5.862 1.00 0.00 C ATOM 122 CG HIS A 8 -27.820 -2.045 -7.200 1.00 0.00 C ATOM 123 ND1 HIS A 8 -27.874 -0.862 -7.904 1.00 0.00 N ATOM 124 CD2 HIS A 8 -28.456 -2.963 -7.965 1.00 0.00 C ATOM 125 CE1 HIS A 8 -28.511 -1.059 -9.043 1.00 0.00 C ATOM 126 NE2 HIS A 8 -28.874 -2.324 -9.105 1.00 0.00 N ATOM 0 H HIS A 8 -25.740 -4.578 -5.075 1.00 0.00 H new ATOM 0 HA HIS A 8 -25.248 -2.277 -6.830 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -27.742 -2.842 -5.239 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -27.171 -1.191 -5.373 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -28.606 -4.005 -7.723 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -28.702 -0.310 -9.797 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -29.383 -2.758 -9.875 1.00 0.00 H new ATOM 135 N SER A 9 -24.991 -0.885 -4.467 1.00 0.00 N ATOM 136 CA SER A 9 -24.341 -0.310 -3.305 1.00 0.00 C ATOM 137 C SER A 9 -25.254 0.715 -2.638 1.00 0.00 C ATOM 138 O SER A 9 -25.275 1.885 -3.026 1.00 0.00 O ATOM 139 CB SER A 9 -23.005 0.329 -3.704 1.00 0.00 C ATOM 140 OG SER A 9 -23.164 1.186 -4.825 1.00 0.00 O ATOM 0 H SER A 9 -25.473 -0.210 -5.060 1.00 0.00 H new ATOM 0 HA SER A 9 -24.139 -1.105 -2.587 1.00 0.00 H new ATOM 0 HB2 SER A 9 -22.603 0.895 -2.863 1.00 0.00 H new ATOM 0 HB3 SER A 9 -22.281 -0.451 -3.938 1.00 0.00 H new ATOM 0 HG SER A 9 -23.956 1.748 -4.697 1.00 0.00 H new ATOM 146 N HIS A 10 -26.045 0.258 -1.668 1.00 0.00 N ATOM 147 CA HIS A 10 -26.879 1.163 -0.891 1.00 0.00 C ATOM 148 C HIS A 10 -25.991 1.966 0.044 1.00 0.00 C ATOM 149 O HIS A 10 -26.163 3.174 0.202 1.00 0.00 O ATOM 150 CB HIS A 10 -27.943 0.395 -0.099 1.00 0.00 C ATOM 151 CG HIS A 10 -28.913 1.280 0.623 1.00 0.00 C ATOM 152 ND1 HIS A 10 -29.127 1.213 1.986 1.00 0.00 N ATOM 153 CD2 HIS A 10 -29.733 2.256 0.165 1.00 0.00 C ATOM 154 CE1 HIS A 10 -30.034 2.108 2.330 1.00 0.00 C ATOM 155 NE2 HIS A 10 -30.417 2.751 1.246 1.00 0.00 N ATOM 0 H HIS A 10 -26.123 -0.725 -1.406 1.00 0.00 H new ATOM 0 HA HIS A 10 -27.404 1.836 -1.569 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -28.494 -0.252 -0.781 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -27.448 -0.252 0.625 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -29.830 2.583 -0.860 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -30.400 2.283 3.331 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -31.111 3.498 1.215 1.00 0.00 H new ATOM 164 N ALA A 11 -25.047 1.281 0.666 1.00 0.00 N ATOM 165 CA ALA A 11 -23.979 1.949 1.384 1.00 0.00 C ATOM 166 C ALA A 11 -22.867 2.277 0.403 1.00 0.00 C ATOM 167 O ALA A 11 -22.065 1.412 0.053 1.00 0.00 O ATOM 168 CB ALA A 11 -23.453 1.078 2.514 1.00 0.00 C ATOM 0 H ALA A 11 -25.000 0.262 0.687 1.00 0.00 H new ATOM 0 HA ALA A 11 -24.362 2.866 1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -22.653 1.603 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -24.261 0.861 3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -23.067 0.144 2.104 1.00 0.00 H new ATOM 174 N ALA A 12 -22.846 3.515 -0.068 1.00 0.00 N ATOM 175 CA ALA A 12 -21.902 3.922 -1.098 1.00 0.00 C ATOM 176 C ALA A 12 -20.504 4.101 -0.524 1.00 0.00 C ATOM 177 O ALA A 12 -20.064 5.218 -0.247 1.00 0.00 O ATOM 178 CB ALA A 12 -22.375 5.197 -1.778 1.00 0.00 C ATOM 0 H ALA A 12 -23.473 4.256 0.247 1.00 0.00 H new ATOM 0 HA ALA A 12 -21.854 3.130 -1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -21.658 5.488 -2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -23.348 5.025 -2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -22.459 5.994 -1.039 1.00 0.00 H new ATOM 184 N VAL A 13 -19.819 2.987 -0.320 1.00 0.00 N ATOM 185 CA VAL A 13 -18.454 3.018 0.157 1.00 0.00 C ATOM 186 C VAL A 13 -17.491 2.897 -1.012 1.00 0.00 C ATOM 187 O VAL A 13 -17.477 1.901 -1.738 1.00 0.00 O ATOM 188 CB VAL A 13 -18.181 1.922 1.218 1.00 0.00 C ATOM 189 CG1 VAL A 13 -18.559 0.539 0.703 1.00 0.00 C ATOM 190 CG2 VAL A 13 -16.725 1.954 1.665 1.00 0.00 C ATOM 0 H VAL A 13 -20.191 2.051 -0.479 1.00 0.00 H new ATOM 0 HA VAL A 13 -18.295 3.978 0.649 1.00 0.00 H new ATOM 0 HB VAL A 13 -18.811 2.135 2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -18.354 -0.205 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -19.620 0.521 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -17.974 0.310 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.556 1.176 2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -16.077 1.781 0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.499 2.928 2.100 1.00 0.00 H new ATOM 200 N ARG A 14 -16.694 3.926 -1.193 1.00 0.00 N ATOM 201 CA ARG A 14 -15.796 4.002 -2.314 1.00 0.00 C ATOM 202 C ARG A 14 -14.429 3.505 -1.922 1.00 0.00 C ATOM 203 O ARG A 14 -13.856 3.957 -0.929 1.00 0.00 O ATOM 204 CB ARG A 14 -15.703 5.441 -2.817 1.00 0.00 C ATOM 205 CG ARG A 14 -16.409 5.664 -4.139 1.00 0.00 C ATOM 206 CD ARG A 14 -15.720 4.897 -5.256 1.00 0.00 C ATOM 207 NE ARG A 14 -16.196 5.286 -6.580 1.00 0.00 N ATOM 208 CZ ARG A 14 -15.707 4.794 -7.717 1.00 0.00 C ATOM 209 NH1 ARG A 14 -14.756 3.866 -7.694 1.00 0.00 N ATOM 210 NH2 ARG A 14 -16.166 5.229 -8.882 1.00 0.00 N ATOM 0 H ARG A 14 -16.653 4.730 -0.567 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.184 3.372 -3.114 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -16.131 6.108 -2.068 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -14.653 5.713 -2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.448 5.344 -4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -16.420 6.728 -4.375 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -14.645 5.064 -5.197 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -15.885 3.829 -5.114 1.00 0.00 H new ATOM 0 HE ARG A 14 -16.946 5.974 -6.638 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.396 3.526 -6.802 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -14.386 3.493 -8.568 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -16.895 5.942 -8.909 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -15.790 4.851 -9.752 1.00 0.00 H new ATOM 224 N LYS A 15 -13.924 2.548 -2.675 1.00 0.00 N ATOM 225 CA LYS A 15 -12.566 2.108 -2.480 1.00 0.00 C ATOM 226 C LYS A 15 -11.636 3.196 -2.964 1.00 0.00 C ATOM 227 O LYS A 15 -11.877 3.816 -4.004 1.00 0.00 O ATOM 228 CB LYS A 15 -12.269 0.810 -3.219 1.00 0.00 C ATOM 229 CG LYS A 15 -13.308 -0.271 -3.014 1.00 0.00 C ATOM 230 CD LYS A 15 -13.833 -0.317 -1.587 1.00 0.00 C ATOM 231 CE LYS A 15 -14.763 -1.501 -1.379 1.00 0.00 C ATOM 232 NZ LYS A 15 -15.429 -1.459 -0.051 1.00 0.00 N ATOM 0 H LYS A 15 -14.431 2.068 -3.419 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.417 1.913 -1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.187 1.022 -4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.299 0.433 -2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.140 -0.104 -3.698 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.875 -1.238 -3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.996 -0.382 -0.891 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.363 0.609 -1.362 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.519 -1.510 -2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.197 -2.428 -1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.067 -2.275 0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.710 -1.493 0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.977 -0.579 0.035 1.00 0.00 H new ATOM 246 N ILE A 16 -10.579 3.409 -2.230 1.00 0.00 N ATOM 247 CA ILE A 16 -9.701 4.527 -2.499 1.00 0.00 C ATOM 248 C ILE A 16 -8.633 4.143 -3.504 1.00 0.00 C ATOM 249 O ILE A 16 -8.144 3.010 -3.524 1.00 0.00 O ATOM 250 CB ILE A 16 -9.056 5.098 -1.220 1.00 0.00 C ATOM 251 CG1 ILE A 16 -8.317 4.010 -0.444 1.00 0.00 C ATOM 252 CG2 ILE A 16 -10.114 5.754 -0.346 1.00 0.00 C ATOM 253 CD1 ILE A 16 -7.640 4.522 0.805 1.00 0.00 C ATOM 0 H ILE A 16 -10.300 2.827 -1.440 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.322 5.316 -2.923 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.326 5.853 -1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.023 3.225 -0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.569 3.554 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.646 6.153 0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.590 6.565 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.865 5.015 -0.067 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.134 3.698 1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.911 5.286 0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.386 4.952 1.473 1.00 0.00 H new ATOM 265 N HIS A 17 -8.307 5.088 -4.361 1.00 0.00 N ATOM 266 CA HIS A 17 -7.346 4.861 -5.423 1.00 0.00 C ATOM 267 C HIS A 17 -5.961 5.299 -4.971 1.00 0.00 C ATOM 268 O HIS A 17 -5.656 6.490 -4.944 1.00 0.00 O ATOM 269 CB HIS A 17 -7.767 5.616 -6.689 1.00 0.00 C ATOM 270 CG HIS A 17 -9.088 5.164 -7.245 1.00 0.00 C ATOM 271 ND1 HIS A 17 -10.266 5.861 -7.070 1.00 0.00 N ATOM 272 CD2 HIS A 17 -9.410 4.070 -7.971 1.00 0.00 C ATOM 273 CE1 HIS A 17 -11.250 5.218 -7.669 1.00 0.00 C ATOM 274 NE2 HIS A 17 -10.760 4.125 -8.225 1.00 0.00 N ATOM 0 H HIS A 17 -8.697 6.030 -4.343 1.00 0.00 H new ATOM 0 HA HIS A 17 -7.315 3.796 -5.654 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.821 6.682 -6.466 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.998 5.489 -7.451 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -10.361 6.737 -6.557 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.731 3.294 -8.293 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -12.283 5.533 -7.700 1.00 0.00 H new ATOM 283 N VAL A 18 -5.141 4.334 -4.589 1.00 0.00 N ATOM 284 CA VAL A 18 -3.805 4.623 -4.083 1.00 0.00 C ATOM 285 C VAL A 18 -2.785 4.642 -5.212 1.00 0.00 C ATOM 286 O VAL A 18 -2.927 3.920 -6.203 1.00 0.00 O ATOM 287 CB VAL A 18 -3.360 3.595 -3.020 1.00 0.00 C ATOM 288 CG1 VAL A 18 -4.286 3.636 -1.817 1.00 0.00 C ATOM 289 CG2 VAL A 18 -3.306 2.196 -3.614 1.00 0.00 C ATOM 0 H VAL A 18 -5.375 3.342 -4.619 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.853 5.608 -3.619 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.357 3.859 -2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.956 2.905 -1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.265 4.632 -1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.303 3.400 -2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.990 1.488 -2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.294 1.918 -3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.595 2.179 -4.440 1.00 0.00 H new ATOM 299 N THR A 19 -1.766 5.472 -5.069 1.00 0.00 N ATOM 300 CA THR A 19 -0.703 5.541 -6.051 1.00 0.00 C ATOM 301 C THR A 19 0.468 4.678 -5.605 1.00 0.00 C ATOM 302 O THR A 19 1.155 5.009 -4.643 1.00 0.00 O ATOM 303 CB THR A 19 -0.223 6.992 -6.240 1.00 0.00 C ATOM 304 OG1 THR A 19 -1.354 7.863 -6.375 1.00 0.00 O ATOM 305 CG2 THR A 19 0.657 7.111 -7.471 1.00 0.00 C ATOM 0 H THR A 19 -1.654 6.108 -4.280 1.00 0.00 H new ATOM 0 HA THR A 19 -1.092 5.174 -7.001 1.00 0.00 H new ATOM 0 HB THR A 19 0.360 7.279 -5.365 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.044 8.785 -6.493 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.985 8.144 -7.585 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.527 6.464 -7.360 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.092 6.810 -8.353 1.00 0.00 H new ATOM 313 N VAL A 20 0.684 3.570 -6.293 1.00 0.00 N ATOM 314 CA VAL A 20 1.770 2.665 -5.949 1.00 0.00 C ATOM 315 C VAL A 20 2.975 2.943 -6.833 1.00 0.00 C ATOM 316 O VAL A 20 2.937 2.729 -8.048 1.00 0.00 O ATOM 317 CB VAL A 20 1.344 1.187 -6.084 1.00 0.00 C ATOM 318 CG1 VAL A 20 2.484 0.260 -5.697 1.00 0.00 C ATOM 319 CG2 VAL A 20 0.118 0.911 -5.229 1.00 0.00 C ATOM 0 H VAL A 20 0.123 3.275 -7.092 1.00 0.00 H new ATOM 0 HA VAL A 20 2.034 2.840 -4.906 1.00 0.00 H new ATOM 0 HB VAL A 20 1.091 0.996 -7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.161 -0.776 -5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.338 0.441 -6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.772 0.450 -4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.171 -0.135 -5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.348 1.121 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.704 1.549 -5.555 1.00 0.00 H new ATOM 329 N LYS A 21 4.036 3.440 -6.219 1.00 0.00 N ATOM 330 CA LYS A 21 5.216 3.857 -6.952 1.00 0.00 C ATOM 331 C LYS A 21 6.368 2.888 -6.755 1.00 0.00 C ATOM 332 O LYS A 21 6.989 2.856 -5.695 1.00 0.00 O ATOM 333 CB LYS A 21 5.650 5.249 -6.499 1.00 0.00 C ATOM 334 CG LYS A 21 4.556 6.290 -6.633 1.00 0.00 C ATOM 335 CD LYS A 21 5.015 7.664 -6.174 1.00 0.00 C ATOM 336 CE LYS A 21 5.899 8.349 -7.206 1.00 0.00 C ATOM 337 NZ LYS A 21 6.234 9.740 -6.802 1.00 0.00 N ATOM 0 H LYS A 21 4.102 3.564 -5.209 1.00 0.00 H new ATOM 0 HA LYS A 21 4.955 3.873 -8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.972 5.201 -5.459 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.514 5.562 -7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.234 6.345 -7.673 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.690 5.983 -6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.144 8.288 -5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.562 7.568 -5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.817 7.776 -7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.391 8.362 -8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.660 10.242 -7.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.368 10.233 -6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.909 9.719 -6.011 1.00 0.00 H new ATOM 351 N PHE A 22 6.645 2.105 -7.778 1.00 0.00 N ATOM 352 CA PHE A 22 7.818 1.252 -7.790 1.00 0.00 C ATOM 353 C PHE A 22 8.971 1.989 -8.462 1.00 0.00 C ATOM 354 O PHE A 22 8.750 2.961 -9.186 1.00 0.00 O ATOM 355 CB PHE A 22 7.524 -0.066 -8.525 1.00 0.00 C ATOM 356 CG PHE A 22 6.900 -1.121 -7.655 1.00 0.00 C ATOM 357 CD1 PHE A 22 5.561 -1.055 -7.310 1.00 0.00 C ATOM 358 CD2 PHE A 22 7.660 -2.178 -7.175 1.00 0.00 C ATOM 359 CE1 PHE A 22 4.994 -2.018 -6.500 1.00 0.00 C ATOM 360 CE2 PHE A 22 7.095 -3.145 -6.367 1.00 0.00 C ATOM 361 CZ PHE A 22 5.762 -3.063 -6.028 1.00 0.00 C ATOM 0 H PHE A 22 6.070 2.041 -8.618 1.00 0.00 H new ATOM 0 HA PHE A 22 8.093 1.010 -6.763 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.860 0.138 -9.365 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.454 -0.454 -8.940 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.954 -0.241 -7.678 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.706 -2.245 -7.436 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.949 -1.954 -6.235 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.697 -3.964 -6.002 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.318 -3.816 -5.393 1.00 0.00 H new ATOM 371 N PRO A 23 10.219 1.556 -8.226 1.00 0.00 N ATOM 372 CA PRO A 23 11.396 2.166 -8.854 1.00 0.00 C ATOM 373 C PRO A 23 11.377 2.041 -10.381 1.00 0.00 C ATOM 374 O PRO A 23 12.071 2.781 -11.081 1.00 0.00 O ATOM 375 CB PRO A 23 12.575 1.374 -8.268 1.00 0.00 C ATOM 376 CG PRO A 23 12.040 0.737 -7.033 1.00 0.00 C ATOM 377 CD PRO A 23 10.593 0.460 -7.314 1.00 0.00 C ATOM 0 HA PRO A 23 11.446 3.237 -8.656 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.936 0.625 -8.973 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.416 2.029 -8.041 1.00 0.00 H new ATOM 0 HG2 PRO A 23 12.577 -0.183 -6.803 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.153 1.396 -6.172 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.451 -0.517 -7.777 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.995 0.471 -6.403 1.00 0.00 H new ATOM 385 N SER A 24 10.574 1.112 -10.890 1.00 0.00 N ATOM 386 CA SER A 24 10.510 0.859 -12.324 1.00 0.00 C ATOM 387 C SER A 24 9.252 1.463 -12.962 1.00 0.00 C ATOM 388 O SER A 24 9.264 1.827 -14.139 1.00 0.00 O ATOM 389 CB SER A 24 10.564 -0.649 -12.585 1.00 0.00 C ATOM 390 OG SER A 24 11.719 -1.225 -11.992 1.00 0.00 O ATOM 0 H SER A 24 9.959 0.522 -10.330 1.00 0.00 H new ATOM 0 HA SER A 24 11.370 1.344 -12.786 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.669 -1.124 -12.183 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.570 -0.836 -13.659 1.00 0.00 H new ATOM 0 HG SER A 24 11.732 -2.189 -12.170 1.00 0.00 H new ATOM 396 N LYS A 25 8.174 1.586 -12.192 1.00 0.00 N ATOM 397 CA LYS A 25 6.906 2.051 -12.746 1.00 0.00 C ATOM 398 C LYS A 25 5.955 2.502 -11.647 1.00 0.00 C ATOM 399 O LYS A 25 6.148 2.190 -10.475 1.00 0.00 O ATOM 400 CB LYS A 25 6.243 0.932 -13.551 1.00 0.00 C ATOM 401 CG LYS A 25 5.814 -0.240 -12.688 1.00 0.00 C ATOM 402 CD LYS A 25 5.277 -1.391 -13.514 1.00 0.00 C ATOM 403 CE LYS A 25 4.996 -2.591 -12.630 1.00 0.00 C ATOM 404 NZ LYS A 25 4.586 -3.791 -13.401 1.00 0.00 N ATOM 0 H LYS A 25 8.152 1.373 -11.195 1.00 0.00 H new ATOM 0 HA LYS A 25 7.120 2.901 -13.395 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.373 1.332 -14.071 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.937 0.580 -14.315 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.663 -0.584 -12.097 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.049 0.089 -11.985 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.364 -1.086 -14.024 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.998 -1.661 -14.286 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.888 -2.825 -12.049 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.210 -2.336 -11.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.604 -4.625 -12.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.623 -3.654 -13.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.243 -3.935 -14.194 1.00 0.00 H new ATOM 418 N GLN A 26 4.919 3.216 -12.048 1.00 0.00 N ATOM 419 CA GLN A 26 3.902 3.696 -11.126 1.00 0.00 C ATOM 420 C GLN A 26 2.512 3.331 -11.644 1.00 0.00 C ATOM 421 O GLN A 26 2.232 3.470 -12.836 1.00 0.00 O ATOM 422 CB GLN A 26 4.017 5.213 -10.973 1.00 0.00 C ATOM 423 CG GLN A 26 3.011 5.804 -10.002 1.00 0.00 C ATOM 424 CD GLN A 26 2.979 7.315 -10.043 1.00 0.00 C ATOM 425 OE1 GLN A 26 3.707 7.988 -9.317 1.00 0.00 O ATOM 426 NE2 GLN A 26 2.129 7.860 -10.894 1.00 0.00 N ATOM 0 H GLN A 26 4.758 3.480 -13.020 1.00 0.00 H new ATOM 0 HA GLN A 26 4.053 3.225 -10.155 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.024 5.460 -10.636 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.884 5.679 -11.949 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.019 5.417 -10.233 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.253 5.477 -8.991 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.542 7.266 -11.479 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.060 8.875 -10.966 1.00 0.00 H new ATOM 435 N PHE A 27 1.649 2.861 -10.756 1.00 0.00 N ATOM 436 CA PHE A 27 0.292 2.488 -11.136 1.00 0.00 C ATOM 437 C PHE A 27 -0.679 2.725 -9.984 1.00 0.00 C ATOM 438 O PHE A 27 -0.262 2.956 -8.848 1.00 0.00 O ATOM 439 CB PHE A 27 0.239 1.024 -11.593 1.00 0.00 C ATOM 440 CG PHE A 27 0.790 0.034 -10.598 1.00 0.00 C ATOM 441 CD1 PHE A 27 2.142 -0.276 -10.582 1.00 0.00 C ATOM 442 CD2 PHE A 27 -0.046 -0.593 -9.687 1.00 0.00 C ATOM 443 CE1 PHE A 27 2.647 -1.190 -9.676 1.00 0.00 C ATOM 444 CE2 PHE A 27 0.455 -1.508 -8.779 1.00 0.00 C ATOM 445 CZ PHE A 27 1.802 -1.806 -8.773 1.00 0.00 C ATOM 0 H PHE A 27 1.863 2.728 -9.767 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.010 3.119 -11.972 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.797 0.762 -11.810 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.794 0.928 -12.526 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.808 0.202 -11.285 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.101 -0.364 -9.686 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.702 -1.422 -9.674 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.208 -1.989 -8.075 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.195 -2.519 -8.064 1.00 0.00 H new ATOM 455 N THR A 28 -1.972 2.682 -10.280 1.00 0.00 N ATOM 456 CA THR A 28 -2.992 2.907 -9.266 1.00 0.00 C ATOM 457 C THR A 28 -3.625 1.586 -8.851 1.00 0.00 C ATOM 458 O THR A 28 -3.856 0.713 -9.685 1.00 0.00 O ATOM 459 CB THR A 28 -4.101 3.838 -9.785 1.00 0.00 C ATOM 460 OG1 THR A 28 -3.552 4.799 -10.695 1.00 0.00 O ATOM 461 CG2 THR A 28 -4.781 4.567 -8.639 1.00 0.00 C ATOM 0 H THR A 28 -2.338 2.494 -11.213 1.00 0.00 H new ATOM 0 HA THR A 28 -2.503 3.375 -8.412 1.00 0.00 H new ATOM 0 HB THR A 28 -4.840 3.224 -10.299 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.266 5.386 -11.021 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.561 5.218 -9.034 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.225 3.841 -7.958 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.046 5.166 -8.101 1.00 0.00 H new ATOM 469 N VAL A 29 -3.895 1.439 -7.566 1.00 0.00 N ATOM 470 CA VAL A 29 -4.558 0.244 -7.060 1.00 0.00 C ATOM 471 C VAL A 29 -5.787 0.638 -6.253 1.00 0.00 C ATOM 472 O VAL A 29 -5.770 1.643 -5.540 1.00 0.00 O ATOM 473 CB VAL A 29 -3.612 -0.608 -6.177 1.00 0.00 C ATOM 474 CG1 VAL A 29 -4.300 -1.875 -5.691 1.00 0.00 C ATOM 475 CG2 VAL A 29 -2.346 -0.962 -6.934 1.00 0.00 C ATOM 0 H VAL A 29 -3.667 2.130 -6.852 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.852 -0.359 -7.919 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.347 -0.008 -5.306 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.609 -2.450 -5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.178 -1.609 -5.102 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.606 -2.474 -6.548 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.696 -1.560 -6.296 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.603 -1.532 -7.826 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.828 -0.048 -7.224 1.00 0.00 H new ATOM 485 N GLU A 30 -6.861 -0.123 -6.392 1.00 0.00 N ATOM 486 CA GLU A 30 -8.050 0.116 -5.597 1.00 0.00 C ATOM 487 C GLU A 30 -8.021 -0.709 -4.334 1.00 0.00 C ATOM 488 O GLU A 30 -7.956 -1.939 -4.371 1.00 0.00 O ATOM 489 CB GLU A 30 -9.328 -0.187 -6.366 1.00 0.00 C ATOM 490 CG GLU A 30 -9.546 0.745 -7.537 1.00 0.00 C ATOM 491 CD GLU A 30 -10.922 0.612 -8.147 1.00 0.00 C ATOM 492 OE1 GLU A 30 -11.179 -0.388 -8.848 1.00 0.00 O ATOM 493 OE2 GLU A 30 -11.759 1.517 -7.922 1.00 0.00 O ATOM 0 H GLU A 30 -6.932 -0.905 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.049 1.176 -5.345 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.293 -1.215 -6.728 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.179 -0.116 -5.689 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.398 1.774 -7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.795 0.543 -8.300 1.00 0.00 H new ATOM 500 N VAL A 31 -8.055 -0.015 -3.222 1.00 0.00 N ATOM 501 CA VAL A 31 -8.092 -0.653 -1.921 1.00 0.00 C ATOM 502 C VAL A 31 -9.161 0.001 -1.066 1.00 0.00 C ATOM 503 O VAL A 31 -9.577 1.125 -1.341 1.00 0.00 O ATOM 504 CB VAL A 31 -6.731 -0.569 -1.198 1.00 0.00 C ATOM 505 CG1 VAL A 31 -5.649 -1.269 -2.004 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.347 0.875 -0.930 1.00 0.00 C ATOM 0 H VAL A 31 -8.058 1.004 -3.189 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.323 -1.707 -2.074 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.828 -1.078 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.698 -1.197 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.914 -2.318 -2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.558 -0.794 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.384 0.907 -0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.275 1.414 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.106 1.343 -0.303 1.00 0.00 H new ATOM 516 N ASP A 32 -9.630 -0.698 -0.056 1.00 0.00 N ATOM 517 CA ASP A 32 -10.621 -0.120 0.843 1.00 0.00 C ATOM 518 C ASP A 32 -9.949 0.873 1.787 1.00 0.00 C ATOM 519 O ASP A 32 -8.762 0.755 2.081 1.00 0.00 O ATOM 520 CB ASP A 32 -11.345 -1.208 1.642 1.00 0.00 C ATOM 521 CG ASP A 32 -12.594 -0.680 2.322 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.477 -0.057 3.396 1.00 0.00 O ATOM 523 OD2 ASP A 32 -13.697 -0.869 1.766 1.00 0.00 O ATOM 0 H ASP A 32 -9.351 -1.653 0.167 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.364 0.404 0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.614 -2.028 0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.669 -1.616 2.393 1.00 0.00 H new ATOM 528 N ARG A 33 -10.703 1.854 2.256 1.00 0.00 N ATOM 529 CA ARG A 33 -10.162 2.862 3.154 1.00 0.00 C ATOM 530 C ARG A 33 -9.905 2.280 4.541 1.00 0.00 C ATOM 531 O ARG A 33 -9.076 2.792 5.297 1.00 0.00 O ATOM 532 CB ARG A 33 -11.109 4.055 3.254 1.00 0.00 C ATOM 533 CG ARG A 33 -12.561 3.672 3.481 1.00 0.00 C ATOM 534 CD ARG A 33 -13.388 4.881 3.873 1.00 0.00 C ATOM 535 NE ARG A 33 -13.150 5.274 5.261 1.00 0.00 N ATOM 536 CZ ARG A 33 -12.483 6.365 5.630 1.00 0.00 C ATOM 537 NH1 ARG A 33 -11.971 7.178 4.714 1.00 0.00 N ATOM 538 NH2 ARG A 33 -12.333 6.643 6.918 1.00 0.00 N ATOM 0 H ARG A 33 -11.690 1.974 2.030 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.211 3.200 2.742 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.782 4.699 4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.037 4.641 2.338 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.969 3.227 2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.623 2.916 4.263 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.149 5.715 3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.446 4.658 3.734 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.520 4.671 5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.088 6.968 3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.461 8.013 5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.728 6.021 7.623 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.822 7.479 7.203 1.00 0.00 H new ATOM 552 N THR A 34 -10.615 1.209 4.869 1.00 0.00 N ATOM 553 CA THR A 34 -10.434 0.536 6.144 1.00 0.00 C ATOM 554 C THR A 34 -9.634 -0.745 5.953 1.00 0.00 C ATOM 555 O THR A 34 -9.572 -1.597 6.841 1.00 0.00 O ATOM 556 CB THR A 34 -11.784 0.212 6.818 1.00 0.00 C ATOM 557 OG1 THR A 34 -12.631 -0.540 5.934 1.00 0.00 O ATOM 558 CG2 THR A 34 -12.496 1.489 7.245 1.00 0.00 C ATOM 0 H THR A 34 -11.323 0.788 4.267 1.00 0.00 H new ATOM 0 HA THR A 34 -9.887 1.215 6.798 1.00 0.00 H new ATOM 0 HB THR A 34 -11.575 -0.390 7.703 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.227 -0.571 5.042 1.00 0.00 H new ATOM 0 HG21 THR A 34 -13.445 1.236 7.718 1.00 0.00 H new ATOM 0 HG22 THR A 34 -11.872 2.034 7.953 1.00 0.00 H new ATOM 0 HG23 THR A 34 -12.681 2.112 6.370 1.00 0.00 H new ATOM 566 N GLU A 35 -9.018 -0.866 4.785 1.00 0.00 N ATOM 567 CA GLU A 35 -8.198 -2.020 4.460 1.00 0.00 C ATOM 568 C GLU A 35 -6.943 -2.034 5.326 1.00 0.00 C ATOM 569 O GLU A 35 -6.452 -0.982 5.736 1.00 0.00 O ATOM 570 CB GLU A 35 -7.830 -1.985 2.974 1.00 0.00 C ATOM 571 CG GLU A 35 -7.010 -3.172 2.507 1.00 0.00 C ATOM 572 CD GLU A 35 -6.890 -3.240 1.005 1.00 0.00 C ATOM 573 OE1 GLU A 35 -7.932 -3.247 0.316 1.00 0.00 O ATOM 574 OE2 GLU A 35 -5.753 -3.313 0.502 1.00 0.00 O ATOM 0 H GLU A 35 -9.073 -0.170 4.041 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.761 -2.932 4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.746 -1.937 2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.273 -1.071 2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.014 -3.115 2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.467 -4.091 2.873 1.00 0.00 H new ATOM 581 N THR A 36 -6.443 -3.222 5.628 1.00 0.00 N ATOM 582 CA THR A 36 -5.233 -3.361 6.420 1.00 0.00 C ATOM 583 C THR A 36 -3.998 -3.260 5.537 1.00 0.00 C ATOM 584 O THR A 36 -4.063 -3.510 4.329 1.00 0.00 O ATOM 585 CB THR A 36 -5.208 -4.713 7.163 1.00 0.00 C ATOM 586 OG1 THR A 36 -5.453 -5.781 6.237 1.00 0.00 O ATOM 587 CG2 THR A 36 -6.245 -4.750 8.276 1.00 0.00 C ATOM 0 H THR A 36 -6.859 -4.106 5.335 1.00 0.00 H new ATOM 0 HA THR A 36 -5.227 -2.551 7.150 1.00 0.00 H new ATOM 0 HB THR A 36 -4.222 -4.835 7.612 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.435 -6.637 6.713 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.203 -5.715 8.781 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.037 -3.956 8.993 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.239 -4.605 7.852 1.00 0.00 H new ATOM 595 N VAL A 37 -2.870 -2.911 6.141 1.00 0.00 N ATOM 596 CA VAL A 37 -1.603 -2.859 5.430 1.00 0.00 C ATOM 597 C VAL A 37 -1.265 -4.244 4.871 1.00 0.00 C ATOM 598 O VAL A 37 -0.570 -4.383 3.860 1.00 0.00 O ATOM 599 CB VAL A 37 -0.473 -2.367 6.354 1.00 0.00 C ATOM 600 CG1 VAL A 37 0.848 -2.279 5.607 1.00 0.00 C ATOM 601 CG2 VAL A 37 -0.834 -1.016 6.951 1.00 0.00 C ATOM 0 H VAL A 37 -2.809 -2.659 7.127 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.697 -2.152 4.606 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.355 -3.091 7.160 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.627 -1.929 6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.116 -3.264 5.224 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.750 -1.581 4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.028 -0.679 7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.980 -0.292 6.150 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.753 -1.108 7.530 1.00 0.00 H new ATOM 611 N SER A 38 -1.798 -5.269 5.531 1.00 0.00 N ATOM 612 CA SER A 38 -1.603 -6.648 5.124 1.00 0.00 C ATOM 613 C SER A 38 -2.221 -6.902 3.755 1.00 0.00 C ATOM 614 O SER A 38 -1.577 -7.467 2.870 1.00 0.00 O ATOM 615 CB SER A 38 -2.225 -7.590 6.153 1.00 0.00 C ATOM 616 OG SER A 38 -1.646 -8.878 6.071 1.00 0.00 O ATOM 0 H SER A 38 -2.377 -5.161 6.364 1.00 0.00 H new ATOM 0 HA SER A 38 -0.531 -6.837 5.061 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.083 -7.186 7.155 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.300 -7.659 5.987 1.00 0.00 H new ATOM 0 HG SER A 38 -0.716 -8.839 6.379 1.00 0.00 H new ATOM 622 N SER A 39 -3.463 -6.470 3.579 1.00 0.00 N ATOM 623 CA SER A 39 -4.173 -6.694 2.334 1.00 0.00 C ATOM 624 C SER A 39 -3.680 -5.734 1.257 1.00 0.00 C ATOM 625 O SER A 39 -3.839 -5.993 0.060 1.00 0.00 O ATOM 626 CB SER A 39 -5.675 -6.538 2.555 1.00 0.00 C ATOM 627 OG SER A 39 -6.147 -7.485 3.503 1.00 0.00 O ATOM 0 H SER A 39 -3.997 -5.963 4.285 1.00 0.00 H new ATOM 0 HA SER A 39 -3.976 -7.711 1.994 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.893 -5.528 2.904 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.202 -6.670 1.610 1.00 0.00 H new ATOM 0 HG SER A 39 -6.044 -7.122 4.407 1.00 0.00 H new ATOM 633 N LEU A 40 -3.082 -4.632 1.695 1.00 0.00 N ATOM 634 CA LEU A 40 -2.474 -3.679 0.783 1.00 0.00 C ATOM 635 C LEU A 40 -1.287 -4.333 0.079 1.00 0.00 C ATOM 636 O LEU A 40 -1.227 -4.388 -1.151 1.00 0.00 O ATOM 637 CB LEU A 40 -1.998 -2.450 1.561 1.00 0.00 C ATOM 638 CG LEU A 40 -1.847 -1.178 0.731 1.00 0.00 C ATOM 639 CD1 LEU A 40 -3.214 -0.678 0.307 1.00 0.00 C ATOM 640 CD2 LEU A 40 -1.097 -0.105 1.511 1.00 0.00 C ATOM 0 H LEU A 40 -3.007 -4.379 2.680 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.210 -3.370 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.702 -2.256 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.038 -2.681 2.022 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.263 -1.408 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.102 0.230 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.711 -1.442 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.813 -0.462 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.002 0.791 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.647 0.134 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.105 -0.472 1.772 1.00 0.00 H new ATOM 652 N LYS A 41 -0.372 -4.873 0.881 1.00 0.00 N ATOM 653 CA LYS A 41 0.802 -5.572 0.364 1.00 0.00 C ATOM 654 C LYS A 41 0.383 -6.794 -0.441 1.00 0.00 C ATOM 655 O LYS A 41 1.020 -7.151 -1.434 1.00 0.00 O ATOM 656 CB LYS A 41 1.700 -6.026 1.515 1.00 0.00 C ATOM 657 CG LYS A 41 2.323 -4.899 2.321 1.00 0.00 C ATOM 658 CD LYS A 41 2.917 -5.431 3.615 1.00 0.00 C ATOM 659 CE LYS A 41 3.523 -4.334 4.472 1.00 0.00 C ATOM 660 NZ LYS A 41 3.876 -4.834 5.831 1.00 0.00 N ATOM 0 H LYS A 41 -0.422 -4.839 1.899 1.00 0.00 H new ATOM 0 HA LYS A 41 1.348 -4.881 -0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.115 -6.654 2.187 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.498 -6.649 1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.099 -4.410 1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.569 -4.144 2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.141 -5.944 4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.683 -6.170 3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.415 -3.941 3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.818 -3.508 4.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.928 -4.033 6.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.149 -5.503 6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.798 -5.315 5.796 1.00 0.00 H new ATOM 674 N ASP A 42 -0.696 -7.427 0.007 1.00 0.00 N ATOM 675 CA ASP A 42 -1.195 -8.650 -0.611 1.00 0.00 C ATOM 676 C ASP A 42 -1.478 -8.441 -2.094 1.00 0.00 C ATOM 677 O ASP A 42 -0.955 -9.169 -2.937 1.00 0.00 O ATOM 678 CB ASP A 42 -2.463 -9.116 0.108 1.00 0.00 C ATOM 679 CG ASP A 42 -2.924 -10.489 -0.340 1.00 0.00 C ATOM 680 OD1 ASP A 42 -2.376 -11.493 0.162 1.00 0.00 O ATOM 681 OD2 ASP A 42 -3.845 -10.576 -1.173 1.00 0.00 O ATOM 0 H ASP A 42 -1.247 -7.109 0.804 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.426 -9.418 -0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.280 -9.132 1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.261 -8.395 -0.069 1.00 0.00 H new ATOM 686 N LYS A 43 -2.277 -7.427 -2.410 1.00 0.00 N ATOM 687 CA LYS A 43 -2.645 -7.155 -3.794 1.00 0.00 C ATOM 688 C LYS A 43 -1.456 -6.648 -4.606 1.00 0.00 C ATOM 689 O LYS A 43 -1.356 -6.933 -5.797 1.00 0.00 O ATOM 690 CB LYS A 43 -3.811 -6.166 -3.870 1.00 0.00 C ATOM 691 CG LYS A 43 -5.138 -6.773 -3.444 1.00 0.00 C ATOM 692 CD LYS A 43 -6.306 -5.839 -3.723 1.00 0.00 C ATOM 693 CE LYS A 43 -6.260 -4.599 -2.847 1.00 0.00 C ATOM 694 NZ LYS A 43 -6.384 -4.936 -1.408 1.00 0.00 N ATOM 0 H LYS A 43 -2.680 -6.783 -1.730 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.967 -8.099 -4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.592 -5.306 -3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.899 -5.796 -4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.292 -7.714 -3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.106 -7.005 -2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.292 -5.543 -4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.243 -6.369 -3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.323 -4.069 -3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.065 -3.922 -3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.320 -4.643 -1.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.274 -5.962 -1.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.645 -4.439 -0.870 1.00 0.00 H new ATOM 708 N ILE A 44 -0.553 -5.904 -3.969 1.00 0.00 N ATOM 709 CA ILE A 44 0.667 -5.456 -4.642 1.00 0.00 C ATOM 710 C ILE A 44 1.507 -6.655 -5.063 1.00 0.00 C ATOM 711 O ILE A 44 2.081 -6.666 -6.147 1.00 0.00 O ATOM 712 CB ILE A 44 1.495 -4.508 -3.746 1.00 0.00 C ATOM 713 CG1 ILE A 44 0.653 -3.286 -3.371 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.768 -4.075 -4.461 1.00 0.00 C ATOM 715 CD1 ILE A 44 1.359 -2.309 -2.460 1.00 0.00 C ATOM 0 H ILE A 44 -0.640 -5.601 -2.999 1.00 0.00 H new ATOM 0 HA ILE A 44 0.372 -4.898 -5.530 1.00 0.00 H new ATOM 0 HB ILE A 44 1.778 -5.038 -2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.357 -2.768 -4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.262 -3.624 -2.885 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.339 -3.408 -3.815 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.369 -4.953 -4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.508 -3.554 -5.383 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.696 -1.472 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.631 -2.809 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.260 -1.940 -2.950 1.00 0.00 H new ATOM 727 N HIS A 45 1.541 -7.682 -4.225 1.00 0.00 N ATOM 728 CA HIS A 45 2.253 -8.908 -4.563 1.00 0.00 C ATOM 729 C HIS A 45 1.534 -9.666 -5.677 1.00 0.00 C ATOM 730 O HIS A 45 2.155 -10.396 -6.443 1.00 0.00 O ATOM 731 CB HIS A 45 2.410 -9.809 -3.337 1.00 0.00 C ATOM 732 CG HIS A 45 3.196 -11.054 -3.621 1.00 0.00 C ATOM 733 ND1 HIS A 45 4.548 -11.044 -3.908 1.00 0.00 N ATOM 734 CD2 HIS A 45 2.808 -12.348 -3.691 1.00 0.00 C ATOM 735 CE1 HIS A 45 4.955 -12.280 -4.137 1.00 0.00 C ATOM 736 NE2 HIS A 45 3.920 -13.087 -4.010 1.00 0.00 N ATOM 0 H HIS A 45 1.087 -7.692 -3.312 1.00 0.00 H new ATOM 0 HA HIS A 45 3.245 -8.625 -4.915 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.902 -9.249 -2.542 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.423 -10.086 -2.968 1.00 0.00 H new ATOM 0 HD1 HIS A 45 5.139 -10.213 -3.938 1.00 0.00 H new ATOM 0 HD2 HIS A 45 1.811 -12.728 -3.527 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.963 -12.578 -4.386 1.00 0.00 H new ATOM 745 N ILE A 46 0.220 -9.519 -5.734 1.00 0.00 N ATOM 746 CA ILE A 46 -0.581 -10.175 -6.759 1.00 0.00 C ATOM 747 C ILE A 46 -0.392 -9.497 -8.116 1.00 0.00 C ATOM 748 O ILE A 46 -0.303 -10.163 -9.148 1.00 0.00 O ATOM 749 CB ILE A 46 -2.074 -10.181 -6.369 1.00 0.00 C ATOM 750 CG1 ILE A 46 -2.260 -10.959 -5.064 1.00 0.00 C ATOM 751 CG2 ILE A 46 -2.921 -10.785 -7.480 1.00 0.00 C ATOM 752 CD1 ILE A 46 -3.660 -10.897 -4.503 1.00 0.00 C ATOM 0 H ILE A 46 -0.317 -8.949 -5.081 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.240 -11.207 -6.839 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.404 -9.153 -6.221 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.995 -12.002 -5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.565 -10.571 -4.320 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.970 -10.779 -7.182 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.799 -10.199 -8.391 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.602 -11.811 -7.664 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.708 -11.473 -3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.924 -9.860 -4.298 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.361 -11.313 -5.227 1.00 0.00 H new ATOM 764 N VAL A 47 -0.312 -8.176 -8.102 1.00 0.00 N ATOM 765 CA VAL A 47 -0.092 -7.412 -9.322 1.00 0.00 C ATOM 766 C VAL A 47 1.369 -7.501 -9.759 1.00 0.00 C ATOM 767 O VAL A 47 1.671 -7.774 -10.922 1.00 0.00 O ATOM 768 CB VAL A 47 -0.475 -5.927 -9.129 1.00 0.00 C ATOM 769 CG1 VAL A 47 -0.194 -5.123 -10.389 1.00 0.00 C ATOM 770 CG2 VAL A 47 -1.938 -5.797 -8.726 1.00 0.00 C ATOM 0 H VAL A 47 -0.396 -7.609 -7.258 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.729 -7.843 -10.094 1.00 0.00 H new ATOM 0 HB VAL A 47 0.141 -5.523 -8.326 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.472 -4.082 -10.226 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.868 -5.181 -10.629 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.776 -5.529 -11.217 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.187 -4.744 -8.595 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.569 -6.225 -9.505 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.106 -6.329 -7.789 1.00 0.00 H new ATOM 780 N GLU A 48 2.264 -7.285 -8.813 1.00 0.00 N ATOM 781 CA GLU A 48 3.690 -7.249 -9.088 1.00 0.00 C ATOM 782 C GLU A 48 4.349 -8.604 -8.820 1.00 0.00 C ATOM 783 O GLU A 48 3.667 -9.609 -8.617 1.00 0.00 O ATOM 784 CB GLU A 48 4.329 -6.139 -8.249 1.00 0.00 C ATOM 785 CG GLU A 48 4.438 -4.819 -8.991 1.00 0.00 C ATOM 786 CD GLU A 48 5.332 -4.924 -10.207 1.00 0.00 C ATOM 787 OE1 GLU A 48 4.852 -5.362 -11.275 1.00 0.00 O ATOM 788 OE2 GLU A 48 6.527 -4.584 -10.100 1.00 0.00 O ATOM 0 H GLU A 48 2.024 -7.130 -7.834 1.00 0.00 H new ATOM 0 HA GLU A 48 3.845 -7.034 -10.145 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.741 -5.992 -7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.324 -6.456 -7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.444 -4.493 -9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.830 -4.056 -8.318 1.00 0.00 H new ATOM 795 N ASN A 49 5.677 -8.627 -8.847 1.00 0.00 N ATOM 796 CA ASN A 49 6.433 -9.865 -8.655 1.00 0.00 C ATOM 797 C ASN A 49 7.084 -9.868 -7.276 1.00 0.00 C ATOM 798 O ASN A 49 7.095 -10.888 -6.582 1.00 0.00 O ATOM 799 CB ASN A 49 7.509 -9.994 -9.747 1.00 0.00 C ATOM 800 CG ASN A 49 8.165 -11.369 -9.818 1.00 0.00 C ATOM 801 OD1 ASN A 49 8.251 -12.103 -8.833 1.00 0.00 O ATOM 802 ND2 ASN A 49 8.658 -11.720 -10.996 1.00 0.00 N ATOM 0 H ASN A 49 6.256 -7.801 -9.000 1.00 0.00 H new ATOM 0 HA ASN A 49 5.753 -10.714 -8.726 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.059 -9.768 -10.714 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.280 -9.244 -9.572 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.125 -12.620 -11.106 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.571 -11.090 -11.793 1.00 0.00 H new ATOM 809 N THR A 50 7.603 -8.706 -6.886 1.00 0.00 N ATOM 810 CA THR A 50 8.322 -8.539 -5.631 1.00 0.00 C ATOM 811 C THR A 50 7.544 -9.110 -4.442 1.00 0.00 C ATOM 812 O THR A 50 6.379 -8.768 -4.212 1.00 0.00 O ATOM 813 CB THR A 50 8.628 -7.050 -5.372 1.00 0.00 C ATOM 814 OG1 THR A 50 9.286 -6.484 -6.514 1.00 0.00 O ATOM 815 CG2 THR A 50 9.514 -6.877 -4.146 1.00 0.00 C ATOM 0 H THR A 50 7.535 -7.850 -7.437 1.00 0.00 H new ATOM 0 HA THR A 50 9.255 -9.094 -5.727 1.00 0.00 H new ATOM 0 HB THR A 50 7.683 -6.537 -5.194 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.477 -5.538 -6.346 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.713 -5.817 -3.988 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.008 -7.286 -3.271 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.456 -7.404 -4.300 1.00 0.00 H new ATOM 823 N PRO A 51 8.174 -10.036 -3.705 1.00 0.00 N ATOM 824 CA PRO A 51 7.626 -10.572 -2.462 1.00 0.00 C ATOM 825 C PRO A 51 7.344 -9.469 -1.444 1.00 0.00 C ATOM 826 O PRO A 51 8.050 -8.459 -1.392 1.00 0.00 O ATOM 827 CB PRO A 51 8.721 -11.509 -1.951 1.00 0.00 C ATOM 828 CG PRO A 51 9.525 -11.855 -3.155 1.00 0.00 C ATOM 829 CD PRO A 51 9.461 -10.657 -4.059 1.00 0.00 C ATOM 0 HA PRO A 51 6.671 -11.074 -2.620 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.335 -11.022 -1.193 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.295 -12.401 -1.492 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.556 -12.083 -2.883 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.123 -12.739 -3.651 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.296 -9.978 -3.887 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.494 -10.944 -5.110 1.00 0.00 H new ATOM 837 N ILE A 52 6.331 -9.689 -0.622 1.00 0.00 N ATOM 838 CA ILE A 52 5.849 -8.680 0.313 1.00 0.00 C ATOM 839 C ILE A 52 6.932 -8.265 1.306 1.00 0.00 C ATOM 840 O ILE A 52 7.040 -7.098 1.671 1.00 0.00 O ATOM 841 CB ILE A 52 4.615 -9.205 1.081 1.00 0.00 C ATOM 842 CG1 ILE A 52 3.436 -9.395 0.121 1.00 0.00 C ATOM 843 CG2 ILE A 52 4.241 -8.268 2.216 1.00 0.00 C ATOM 844 CD1 ILE A 52 2.184 -9.931 0.784 1.00 0.00 C ATOM 0 H ILE A 52 5.819 -10.570 -0.582 1.00 0.00 H new ATOM 0 HA ILE A 52 5.570 -7.803 -0.271 1.00 0.00 H new ATOM 0 HB ILE A 52 4.867 -10.171 1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.205 -8.439 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.735 -10.078 -0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.370 -8.661 2.740 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.077 -8.187 2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.008 -7.283 1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.395 -10.038 0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.396 -10.903 1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.859 -9.239 1.560 1.00 0.00 H new ATOM 856 N LYS A 53 7.754 -9.218 1.701 1.00 0.00 N ATOM 857 CA LYS A 53 8.761 -8.990 2.732 1.00 0.00 C ATOM 858 C LYS A 53 9.983 -8.249 2.189 1.00 0.00 C ATOM 859 O LYS A 53 10.847 -7.817 2.956 1.00 0.00 O ATOM 860 CB LYS A 53 9.172 -10.327 3.339 1.00 0.00 C ATOM 861 CG LYS A 53 7.982 -11.119 3.846 1.00 0.00 C ATOM 862 CD LYS A 53 8.388 -12.463 4.412 1.00 0.00 C ATOM 863 CE LYS A 53 7.161 -13.278 4.787 1.00 0.00 C ATOM 864 NZ LYS A 53 7.514 -14.624 5.302 1.00 0.00 N ATOM 0 H LYS A 53 7.747 -10.166 1.323 1.00 0.00 H new ATOM 0 HA LYS A 53 8.322 -8.354 3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.705 -10.915 2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.866 -10.152 4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.466 -10.544 4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.274 -11.269 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.983 -13.008 3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.018 -12.319 5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.588 -12.741 5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.517 -13.383 3.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.645 -15.142 5.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.038 -15.148 4.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.107 -14.526 6.151 1.00 0.00 H new ATOM 878 N ARG A 54 10.058 -8.108 0.870 1.00 0.00 N ATOM 879 CA ARG A 54 11.226 -7.500 0.233 1.00 0.00 C ATOM 880 C ARG A 54 10.935 -6.070 -0.208 1.00 0.00 C ATOM 881 O ARG A 54 11.854 -5.292 -0.474 1.00 0.00 O ATOM 882 CB ARG A 54 11.699 -8.334 -0.965 1.00 0.00 C ATOM 883 CG ARG A 54 12.397 -9.631 -0.573 1.00 0.00 C ATOM 884 CD ARG A 54 11.429 -10.637 0.025 1.00 0.00 C ATOM 885 NE ARG A 54 11.929 -11.205 1.274 1.00 0.00 N ATOM 886 CZ ARG A 54 11.934 -12.504 1.558 1.00 0.00 C ATOM 887 NH1 ARG A 54 11.515 -13.391 0.660 1.00 0.00 N ATOM 888 NH2 ARG A 54 12.358 -12.913 2.748 1.00 0.00 N ATOM 0 H ARG A 54 9.329 -8.404 0.221 1.00 0.00 H new ATOM 0 HA ARG A 54 12.023 -7.475 0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.840 -8.570 -1.594 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.380 -7.733 -1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.876 -10.065 -1.451 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.187 -9.415 0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.469 -10.153 0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.251 -11.439 -0.692 1.00 0.00 H new ATOM 0 HE ARG A 54 12.299 -10.563 1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.187 -13.076 -0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.522 -14.386 0.884 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.677 -12.232 3.437 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.365 -13.908 2.973 1.00 0.00 H new ATOM 902 N MET A 55 9.659 -5.733 -0.280 1.00 0.00 N ATOM 903 CA MET A 55 9.247 -4.390 -0.664 1.00 0.00 C ATOM 904 C MET A 55 8.650 -3.659 0.531 1.00 0.00 C ATOM 905 O MET A 55 7.865 -4.227 1.288 1.00 0.00 O ATOM 906 CB MET A 55 8.240 -4.436 -1.817 1.00 0.00 C ATOM 907 CG MET A 55 6.992 -5.251 -1.518 1.00 0.00 C ATOM 908 SD MET A 55 5.887 -5.374 -2.936 1.00 0.00 S ATOM 909 CE MET A 55 4.588 -6.401 -2.257 1.00 0.00 C ATOM 0 H MET A 55 8.888 -6.370 -0.078 1.00 0.00 H new ATOM 0 HA MET A 55 10.129 -3.847 -1.004 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.944 -3.417 -2.068 1.00 0.00 H new ATOM 0 HB3 MET A 55 8.730 -4.852 -2.697 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.284 -6.252 -1.202 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.457 -4.797 -0.684 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.673 -6.258 -2.832 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.888 -7.448 -2.307 1.00 0.00 H new ATOM 0 HE3 MET A 55 4.411 -6.124 -1.218 1.00 0.00 H new ATOM 919 N GLN A 56 9.033 -2.407 0.709 1.00 0.00 N ATOM 920 CA GLN A 56 8.553 -1.627 1.835 1.00 0.00 C ATOM 921 C GLN A 56 7.616 -0.525 1.356 1.00 0.00 C ATOM 922 O GLN A 56 7.926 0.194 0.404 1.00 0.00 O ATOM 923 CB GLN A 56 9.732 -1.025 2.598 1.00 0.00 C ATOM 924 CG GLN A 56 9.355 -0.478 3.964 1.00 0.00 C ATOM 925 CD GLN A 56 8.790 -1.548 4.877 1.00 0.00 C ATOM 926 OE1 GLN A 56 7.582 -1.781 4.911 1.00 0.00 O ATOM 927 NE2 GLN A 56 9.665 -2.208 5.622 1.00 0.00 N ATOM 0 H GLN A 56 9.673 -1.910 0.090 1.00 0.00 H new ATOM 0 HA GLN A 56 8.000 -2.285 2.505 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.502 -1.787 2.720 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.169 -0.223 2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.234 -0.033 4.430 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.621 0.319 3.844 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.658 -1.983 5.563 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.345 -2.941 6.255 1.00 0.00 H new ATOM 936 N LEU A 57 6.472 -0.401 2.018 1.00 0.00 N ATOM 937 CA LEU A 57 5.474 0.591 1.643 1.00 0.00 C ATOM 938 C LEU A 57 5.677 1.877 2.432 1.00 0.00 C ATOM 939 O LEU A 57 5.785 1.852 3.659 1.00 0.00 O ATOM 940 CB LEU A 57 4.059 0.068 1.901 1.00 0.00 C ATOM 941 CG LEU A 57 3.716 -1.291 1.285 1.00 0.00 C ATOM 942 CD1 LEU A 57 2.274 -1.651 1.600 1.00 0.00 C ATOM 943 CD2 LEU A 57 3.942 -1.286 -0.219 1.00 0.00 C ATOM 0 H LEU A 57 6.213 -0.977 2.819 1.00 0.00 H new ATOM 0 HA LEU A 57 5.593 0.792 0.578 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.909 0.003 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.348 0.804 1.524 1.00 0.00 H new ATOM 0 HG LEU A 57 4.377 -2.041 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.036 -2.619 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.139 -1.702 2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.611 -0.891 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.690 -2.264 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.310 -0.526 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.988 -1.064 -0.429 1.00 0.00 H new ATOM 955 N TYR A 58 5.735 2.996 1.729 1.00 0.00 N ATOM 956 CA TYR A 58 5.854 4.291 2.375 1.00 0.00 C ATOM 957 C TYR A 58 4.692 5.193 1.994 1.00 0.00 C ATOM 958 O TYR A 58 4.489 5.498 0.823 1.00 0.00 O ATOM 959 CB TYR A 58 7.170 4.966 1.993 1.00 0.00 C ATOM 960 CG TYR A 58 8.387 4.325 2.608 1.00 0.00 C ATOM 961 CD1 TYR A 58 8.970 3.203 2.039 1.00 0.00 C ATOM 962 CD2 TYR A 58 8.955 4.847 3.758 1.00 0.00 C ATOM 963 CE1 TYR A 58 10.089 2.619 2.599 1.00 0.00 C ATOM 964 CE2 TYR A 58 10.073 4.272 4.325 1.00 0.00 C ATOM 965 CZ TYR A 58 10.635 3.157 3.744 1.00 0.00 C ATOM 966 OH TYR A 58 11.748 2.579 4.313 1.00 0.00 O ATOM 0 H TYR A 58 5.702 3.033 0.710 1.00 0.00 H new ATOM 0 HA TYR A 58 5.837 4.127 3.453 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.273 4.951 0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.131 6.013 2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.542 2.779 1.143 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.515 5.719 4.219 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.533 1.747 2.143 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.506 4.694 5.220 1.00 0.00 H new ATOM 0 HH TYR A 58 11.725 2.711 5.284 1.00 0.00 H new ATOM 976 N TYR A 59 3.947 5.634 2.988 1.00 0.00 N ATOM 977 CA TYR A 59 2.860 6.566 2.762 1.00 0.00 C ATOM 978 C TYR A 59 3.373 7.986 2.888 1.00 0.00 C ATOM 979 O TYR A 59 3.604 8.470 3.996 1.00 0.00 O ATOM 980 CB TYR A 59 1.719 6.332 3.756 1.00 0.00 C ATOM 981 CG TYR A 59 0.634 7.386 3.673 1.00 0.00 C ATOM 982 CD1 TYR A 59 -0.189 7.469 2.560 1.00 0.00 C ATOM 983 CD2 TYR A 59 0.440 8.305 4.701 1.00 0.00 C ATOM 984 CE1 TYR A 59 -1.171 8.432 2.471 1.00 0.00 C ATOM 985 CE2 TYR A 59 -0.544 9.273 4.616 1.00 0.00 C ATOM 986 CZ TYR A 59 -1.348 9.329 3.495 1.00 0.00 C ATOM 987 OH TYR A 59 -2.338 10.281 3.396 1.00 0.00 O ATOM 0 H TYR A 59 4.075 5.361 3.962 1.00 0.00 H new ATOM 0 HA TYR A 59 2.471 6.406 1.756 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.280 5.352 3.572 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.124 6.315 4.768 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.058 6.767 1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.068 8.261 5.579 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.801 8.481 1.595 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.683 9.980 5.421 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.061 10.068 4.023 1.00 0.00 H new ATOM 997 N SER A 60 3.589 8.633 1.752 1.00 0.00 N ATOM 998 CA SER A 60 4.071 10.008 1.731 1.00 0.00 C ATOM 999 C SER A 60 5.444 10.124 2.412 1.00 0.00 C ATOM 1000 O SER A 60 5.883 11.219 2.761 1.00 0.00 O ATOM 1001 CB SER A 60 3.049 10.914 2.428 1.00 0.00 C ATOM 1002 OG SER A 60 1.760 10.759 1.857 1.00 0.00 O ATOM 0 H SER A 60 3.438 8.227 0.829 1.00 0.00 H new ATOM 0 HA SER A 60 4.189 10.323 0.694 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.011 10.675 3.491 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.364 11.954 2.346 1.00 0.00 H new ATOM 0 HG SER A 60 1.125 11.345 2.319 1.00 0.00 H new ATOM 1008 N GLY A 61 6.117 8.987 2.579 1.00 0.00 N ATOM 1009 CA GLY A 61 7.398 8.969 3.261 1.00 0.00 C ATOM 1010 C GLY A 61 7.338 8.203 4.570 1.00 0.00 C ATOM 1011 O GLY A 61 8.370 7.834 5.131 1.00 0.00 O ATOM 0 H GLY A 61 5.795 8.076 2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.148 8.517 2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.719 9.992 3.455 1.00 0.00 H new ATOM 1015 N ILE A 62 6.126 7.970 5.057 1.00 0.00 N ATOM 1016 CA ILE A 62 5.914 7.242 6.306 1.00 0.00 C ATOM 1017 C ILE A 62 6.027 5.739 6.075 1.00 0.00 C ATOM 1018 O ILE A 62 5.355 5.189 5.207 1.00 0.00 O ATOM 1019 CB ILE A 62 4.524 7.557 6.899 1.00 0.00 C ATOM 1020 CG1 ILE A 62 4.352 9.068 7.063 1.00 0.00 C ATOM 1021 CG2 ILE A 62 4.341 6.853 8.237 1.00 0.00 C ATOM 1022 CD1 ILE A 62 2.931 9.490 7.365 1.00 0.00 C ATOM 0 H ILE A 62 5.266 8.277 4.603 1.00 0.00 H new ATOM 0 HA ILE A 62 6.683 7.562 7.009 1.00 0.00 H new ATOM 0 HB ILE A 62 3.761 7.190 6.212 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.003 9.414 7.866 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.682 9.563 6.150 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.355 7.087 8.639 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.429 5.776 8.096 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.107 7.192 8.934 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.888 10.574 7.468 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.277 9.176 6.551 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.603 9.024 8.294 1.00 0.00 H new ATOM 1034 N GLU A 63 6.871 5.079 6.851 1.00 0.00 N ATOM 1035 CA GLU A 63 7.099 3.653 6.679 1.00 0.00 C ATOM 1036 C GLU A 63 5.956 2.851 7.297 1.00 0.00 C ATOM 1037 O GLU A 63 5.700 2.940 8.500 1.00 0.00 O ATOM 1038 CB GLU A 63 8.438 3.255 7.307 1.00 0.00 C ATOM 1039 CG GLU A 63 8.930 1.885 6.875 1.00 0.00 C ATOM 1040 CD GLU A 63 10.334 1.591 7.359 1.00 0.00 C ATOM 1041 OE1 GLU A 63 11.278 2.302 6.937 1.00 0.00 O ATOM 1042 OE2 GLU A 63 10.510 0.649 8.156 1.00 0.00 O ATOM 0 H GLU A 63 7.409 5.507 7.605 1.00 0.00 H new ATOM 0 HA GLU A 63 7.134 3.430 5.613 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.189 4.001 7.044 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.339 3.271 8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.251 1.122 7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.904 1.820 5.787 1.00 0.00 H new ATOM 1049 N LEU A 64 5.262 2.080 6.467 1.00 0.00 N ATOM 1050 CA LEU A 64 4.124 1.291 6.923 1.00 0.00 C ATOM 1051 C LEU A 64 4.603 -0.028 7.521 1.00 0.00 C ATOM 1052 O LEU A 64 4.730 -1.035 6.820 1.00 0.00 O ATOM 1053 CB LEU A 64 3.150 1.029 5.770 1.00 0.00 C ATOM 1054 CG LEU A 64 2.652 2.281 5.039 1.00 0.00 C ATOM 1055 CD1 LEU A 64 1.659 1.907 3.952 1.00 0.00 C ATOM 1056 CD2 LEU A 64 2.022 3.264 6.014 1.00 0.00 C ATOM 0 H LEU A 64 5.468 1.985 5.473 1.00 0.00 H new ATOM 0 HA LEU A 64 3.599 1.857 7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.636 0.375 5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.288 0.488 6.160 1.00 0.00 H new ATOM 0 HG LEU A 64 3.512 2.763 4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.317 2.809 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.140 1.246 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.806 1.397 4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.677 4.144 5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.177 2.790 6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.761 3.563 6.757 1.00 0.00 H new ATOM 1068 N ALA A 65 4.885 -0.005 8.814 1.00 0.00 N ATOM 1069 CA ALA A 65 5.456 -1.158 9.492 1.00 0.00 C ATOM 1070 C ALA A 65 4.385 -2.126 9.986 1.00 0.00 C ATOM 1071 O ALA A 65 4.560 -3.344 9.909 1.00 0.00 O ATOM 1072 CB ALA A 65 6.330 -0.700 10.649 1.00 0.00 C ATOM 0 H ALA A 65 4.727 0.803 9.417 1.00 0.00 H new ATOM 0 HA ALA A 65 6.066 -1.697 8.767 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.754 -1.570 11.151 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.136 -0.072 10.270 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.728 -0.130 11.356 1.00 0.00 H new ATOM 1078 N ASP A 66 3.274 -1.592 10.477 1.00 0.00 N ATOM 1079 CA ASP A 66 2.234 -2.427 11.069 1.00 0.00 C ATOM 1080 C ASP A 66 1.393 -3.080 9.987 1.00 0.00 C ATOM 1081 O ASP A 66 0.564 -2.433 9.359 1.00 0.00 O ATOM 1082 CB ASP A 66 1.318 -1.619 11.987 1.00 0.00 C ATOM 1083 CG ASP A 66 2.061 -0.872 13.070 1.00 0.00 C ATOM 1084 OD1 ASP A 66 2.545 -1.513 14.025 1.00 0.00 O ATOM 1085 OD2 ASP A 66 2.134 0.373 12.986 1.00 0.00 O ATOM 0 H ASP A 66 3.070 -0.593 10.478 1.00 0.00 H new ATOM 0 HA ASP A 66 2.737 -3.193 11.660 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.752 -0.906 11.387 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.595 -2.291 12.450 1.00 0.00 H new ATOM 1090 N ASP A 67 1.603 -4.368 9.791 1.00 0.00 N ATOM 1091 CA ASP A 67 0.878 -5.127 8.778 1.00 0.00 C ATOM 1092 C ASP A 67 -0.570 -5.324 9.205 1.00 0.00 C ATOM 1093 O ASP A 67 -1.474 -5.444 8.380 1.00 0.00 O ATOM 1094 CB ASP A 67 1.553 -6.483 8.590 1.00 0.00 C ATOM 1095 CG ASP A 67 1.198 -7.154 7.283 1.00 0.00 C ATOM 1096 OD1 ASP A 67 1.581 -6.626 6.217 1.00 0.00 O ATOM 1097 OD2 ASP A 67 0.564 -8.231 7.312 1.00 0.00 O ATOM 0 H ASP A 67 2.276 -4.919 10.324 1.00 0.00 H new ATOM 0 HA ASP A 67 0.891 -4.577 7.837 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.634 -6.353 8.641 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.272 -7.138 9.414 1.00 0.00 H new ATOM 1102 N TYR A 68 -0.774 -5.327 10.513 1.00 0.00 N ATOM 1103 CA TYR A 68 -2.087 -5.577 11.091 1.00 0.00 C ATOM 1104 C TYR A 68 -2.928 -4.300 11.153 1.00 0.00 C ATOM 1105 O TYR A 68 -4.124 -4.350 11.445 1.00 0.00 O ATOM 1106 CB TYR A 68 -1.931 -6.168 12.497 1.00 0.00 C ATOM 1107 CG TYR A 68 -1.060 -5.329 13.414 1.00 0.00 C ATOM 1108 CD1 TYR A 68 0.319 -5.495 13.430 1.00 0.00 C ATOM 1109 CD2 TYR A 68 -1.614 -4.365 14.248 1.00 0.00 C ATOM 1110 CE1 TYR A 68 1.121 -4.727 14.252 1.00 0.00 C ATOM 1111 CE2 TYR A 68 -0.818 -3.590 15.070 1.00 0.00 C ATOM 1112 CZ TYR A 68 0.549 -3.775 15.068 1.00 0.00 C ATOM 1113 OH TYR A 68 1.349 -2.997 15.875 1.00 0.00 O ATOM 0 H TYR A 68 -0.040 -5.158 11.201 1.00 0.00 H new ATOM 0 HA TYR A 68 -2.607 -6.288 10.449 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.917 -6.279 12.947 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.503 -7.167 12.417 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.772 -6.237 12.789 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.684 -4.219 14.254 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.191 -4.872 14.255 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.264 -2.843 15.711 1.00 0.00 H new ATOM 0 HH TYR A 68 1.619 -2.190 15.388 1.00 0.00 H new ATOM 1123 N ARG A 69 -2.306 -3.158 10.885 1.00 0.00 N ATOM 1124 CA ARG A 69 -2.995 -1.880 10.992 1.00 0.00 C ATOM 1125 C ARG A 69 -3.799 -1.558 9.747 1.00 0.00 C ATOM 1126 O ARG A 69 -3.480 -2.011 8.648 1.00 0.00 O ATOM 1127 CB ARG A 69 -2.009 -0.748 11.271 1.00 0.00 C ATOM 1128 CG ARG A 69 -1.980 -0.341 12.727 1.00 0.00 C ATOM 1129 CD ARG A 69 -1.144 0.905 12.957 1.00 0.00 C ATOM 1130 NE ARG A 69 -1.444 1.513 14.252 1.00 0.00 N ATOM 1131 CZ ARG A 69 -0.556 1.687 15.231 1.00 0.00 C ATOM 1132 NH1 ARG A 69 0.714 1.345 15.057 1.00 0.00 N ATOM 1133 NH2 ARG A 69 -0.939 2.219 16.382 1.00 0.00 N ATOM 0 H ARG A 69 -1.331 -3.092 10.594 1.00 0.00 H new ATOM 0 HA ARG A 69 -3.688 -1.969 11.829 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.010 -1.059 10.966 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.274 0.116 10.662 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.998 -0.162 13.073 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.580 -1.161 13.324 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.085 0.649 12.909 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.334 1.625 12.162 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.400 1.826 14.418 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.018 0.946 14.169 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.387 1.482 15.811 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.912 2.495 16.518 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.261 2.353 17.132 1.00 0.00 H new ATOM 1147 N ASN A 70 -4.854 -0.786 9.945 1.00 0.00 N ATOM 1148 CA ASN A 70 -5.678 -0.291 8.852 1.00 0.00 C ATOM 1149 C ASN A 70 -5.009 0.900 8.178 1.00 0.00 C ATOM 1150 O ASN A 70 -4.125 1.535 8.756 1.00 0.00 O ATOM 1151 CB ASN A 70 -7.047 0.143 9.376 1.00 0.00 C ATOM 1152 CG ASN A 70 -7.971 -1.009 9.717 1.00 0.00 C ATOM 1153 OD1 ASN A 70 -7.535 -2.128 9.987 1.00 0.00 O ATOM 1154 ND2 ASN A 70 -9.265 -0.730 9.731 1.00 0.00 N ATOM 0 H ASN A 70 -5.165 -0.484 10.868 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.800 -1.097 8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.906 0.757 10.265 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.528 0.772 8.627 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.941 -1.455 9.972 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.586 0.210 9.501 1.00 0.00 H new ATOM 1161 N LEU A 71 -5.440 1.210 6.965 1.00 0.00 N ATOM 1162 CA LEU A 71 -4.928 2.367 6.241 1.00 0.00 C ATOM 1163 C LEU A 71 -5.369 3.664 6.916 1.00 0.00 C ATOM 1164 O LEU A 71 -4.640 4.660 6.911 1.00 0.00 O ATOM 1165 CB LEU A 71 -5.403 2.342 4.786 1.00 0.00 C ATOM 1166 CG LEU A 71 -4.969 1.116 3.979 1.00 0.00 C ATOM 1167 CD1 LEU A 71 -5.409 1.256 2.533 1.00 0.00 C ATOM 1168 CD2 LEU A 71 -3.463 0.921 4.063 1.00 0.00 C ATOM 0 H LEU A 71 -6.146 0.675 6.458 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.839 2.322 6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.492 2.397 4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.033 3.236 4.285 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.449 0.235 4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.094 0.377 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.495 1.345 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.955 2.147 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.177 0.044 3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.959 1.801 3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.172 0.778 5.104 1.00 0.00 H new ATOM 1180 N ASN A 72 -6.558 3.642 7.512 1.00 0.00 N ATOM 1181 CA ASN A 72 -7.080 4.801 8.236 1.00 0.00 C ATOM 1182 C ASN A 72 -6.196 5.145 9.433 1.00 0.00 C ATOM 1183 O ASN A 72 -6.133 6.300 9.848 1.00 0.00 O ATOM 1184 CB ASN A 72 -8.537 4.585 8.675 1.00 0.00 C ATOM 1185 CG ASN A 72 -8.762 3.280 9.416 1.00 0.00 C ATOM 1186 OD1 ASN A 72 -9.071 2.258 8.804 1.00 0.00 O ATOM 1187 ND2 ASN A 72 -8.619 3.301 10.732 1.00 0.00 N ATOM 0 H ASN A 72 -7.180 2.834 7.509 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.065 5.647 7.549 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.841 5.413 9.315 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.180 4.609 7.795 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.766 2.450 11.275 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.362 4.168 11.203 1.00 0.00 H new ATOM 1194 N GLU A 73 -5.510 4.142 9.981 1.00 0.00 N ATOM 1195 CA GLU A 73 -4.559 4.356 11.073 1.00 0.00 C ATOM 1196 C GLU A 73 -3.504 5.386 10.682 1.00 0.00 C ATOM 1197 O GLU A 73 -3.106 6.223 11.491 1.00 0.00 O ATOM 1198 CB GLU A 73 -3.867 3.043 11.438 1.00 0.00 C ATOM 1199 CG GLU A 73 -4.726 2.099 12.259 1.00 0.00 C ATOM 1200 CD GLU A 73 -4.890 2.569 13.687 1.00 0.00 C ATOM 1201 OE1 GLU A 73 -4.031 2.232 14.529 1.00 0.00 O ATOM 1202 OE2 GLU A 73 -5.875 3.276 13.974 1.00 0.00 O ATOM 0 H GLU A 73 -5.595 3.169 9.685 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.116 4.728 11.933 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.564 2.537 10.521 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.957 3.267 11.995 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.708 2.007 11.794 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.277 1.106 12.255 1.00 0.00 H new ATOM 1209 N TYR A 74 -3.066 5.321 9.434 1.00 0.00 N ATOM 1210 CA TYR A 74 -2.029 6.215 8.937 1.00 0.00 C ATOM 1211 C TYR A 74 -2.648 7.430 8.255 1.00 0.00 C ATOM 1212 O TYR A 74 -1.941 8.313 7.769 1.00 0.00 O ATOM 1213 CB TYR A 74 -1.117 5.471 7.960 1.00 0.00 C ATOM 1214 CG TYR A 74 -0.443 4.252 8.560 1.00 0.00 C ATOM 1215 CD1 TYR A 74 0.617 4.389 9.446 1.00 0.00 C ATOM 1216 CD2 TYR A 74 -0.860 2.964 8.230 1.00 0.00 C ATOM 1217 CE1 TYR A 74 1.244 3.283 9.989 1.00 0.00 C ATOM 1218 CE2 TYR A 74 -0.239 1.849 8.771 1.00 0.00 C ATOM 1219 CZ TYR A 74 0.815 2.017 9.650 1.00 0.00 C ATOM 1220 OH TYR A 74 1.447 0.917 10.189 1.00 0.00 O ATOM 0 H TYR A 74 -3.414 4.656 8.743 1.00 0.00 H new ATOM 0 HA TYR A 74 -1.436 6.560 9.784 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.703 5.162 7.094 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.351 6.157 7.598 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.958 5.378 9.716 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.681 2.832 7.541 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.067 3.410 10.676 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -0.576 0.857 8.508 1.00 0.00 H new ATOM 0 HH TYR A 74 1.591 1.060 11.148 1.00 0.00 H new ATOM 1230 N GLY A 75 -3.977 7.468 8.234 1.00 0.00 N ATOM 1231 CA GLY A 75 -4.686 8.562 7.600 1.00 0.00 C ATOM 1232 C GLY A 75 -4.629 8.488 6.088 1.00 0.00 C ATOM 1233 O GLY A 75 -4.666 9.513 5.409 1.00 0.00 O ATOM 0 H GLY A 75 -4.578 6.755 8.648 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.727 8.552 7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.259 9.509 7.931 1.00 0.00 H new ATOM 1237 N ILE A 76 -4.552 7.274 5.560 1.00 0.00 N ATOM 1238 CA ILE A 76 -4.434 7.072 4.123 1.00 0.00 C ATOM 1239 C ILE A 76 -5.774 7.293 3.423 1.00 0.00 C ATOM 1240 O ILE A 76 -6.758 6.604 3.700 1.00 0.00 O ATOM 1241 CB ILE A 76 -3.894 5.664 3.797 1.00 0.00 C ATOM 1242 CG1 ILE A 76 -2.510 5.484 4.430 1.00 0.00 C ATOM 1243 CG2 ILE A 76 -3.832 5.440 2.290 1.00 0.00 C ATOM 1244 CD1 ILE A 76 -1.873 4.140 4.149 1.00 0.00 C ATOM 0 H ILE A 76 -4.569 6.413 6.107 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.722 7.809 3.751 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.574 4.921 4.214 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.850 6.271 4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.596 5.615 5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.448 4.440 2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.831 5.538 1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.172 6.181 1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.897 4.092 4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.510 3.347 4.540 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.753 4.012 3.073 1.00 0.00 H new ATOM 1256 N THR A 77 -5.797 8.268 2.525 1.00 0.00 N ATOM 1257 CA THR A 77 -6.994 8.603 1.770 1.00 0.00 C ATOM 1258 C THR A 77 -6.779 8.307 0.276 1.00 0.00 C ATOM 1259 O THR A 77 -5.801 7.656 -0.095 1.00 0.00 O ATOM 1260 CB THR A 77 -7.365 10.093 1.986 1.00 0.00 C ATOM 1261 OG1 THR A 77 -8.603 10.413 1.336 1.00 0.00 O ATOM 1262 CG2 THR A 77 -6.262 11.009 1.470 1.00 0.00 C ATOM 0 H THR A 77 -4.988 8.847 2.300 1.00 0.00 H new ATOM 0 HA THR A 77 -7.820 7.988 2.127 1.00 0.00 H new ATOM 0 HB THR A 77 -7.480 10.250 3.058 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.434 11.036 0.599 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.546 12.049 1.633 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.335 10.798 2.003 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.115 10.836 0.404 1.00 0.00 H new ATOM 1270 N GLU A 78 -7.693 8.770 -0.570 1.00 0.00 N ATOM 1271 CA GLU A 78 -7.593 8.553 -2.010 1.00 0.00 C ATOM 1272 C GLU A 78 -6.488 9.422 -2.604 1.00 0.00 C ATOM 1273 O GLU A 78 -6.228 10.523 -2.115 1.00 0.00 O ATOM 1274 CB GLU A 78 -8.931 8.851 -2.698 1.00 0.00 C ATOM 1275 CG GLU A 78 -8.882 8.695 -4.210 1.00 0.00 C ATOM 1276 CD GLU A 78 -10.232 8.868 -4.865 1.00 0.00 C ATOM 1277 OE1 GLU A 78 -10.776 9.989 -4.834 1.00 0.00 O ATOM 1278 OE2 GLU A 78 -10.747 7.882 -5.427 1.00 0.00 O ATOM 0 H GLU A 78 -8.515 9.300 -0.282 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.344 7.506 -2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.694 8.184 -2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.237 9.869 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.188 9.427 -4.623 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.489 7.708 -4.455 1.00 0.00 H new ATOM 1285 N PHE A 79 -5.841 8.911 -3.653 1.00 0.00 N ATOM 1286 CA PHE A 79 -4.722 9.592 -4.305 1.00 0.00 C ATOM 1287 C PHE A 79 -3.565 9.751 -3.336 1.00 0.00 C ATOM 1288 O PHE A 79 -2.818 10.732 -3.379 1.00 0.00 O ATOM 1289 CB PHE A 79 -5.143 10.943 -4.891 1.00 0.00 C ATOM 1290 CG PHE A 79 -5.855 10.815 -6.208 1.00 0.00 C ATOM 1291 CD1 PHE A 79 -5.135 10.629 -7.379 1.00 0.00 C ATOM 1292 CD2 PHE A 79 -7.235 10.871 -6.279 1.00 0.00 C ATOM 1293 CE1 PHE A 79 -5.782 10.503 -8.594 1.00 0.00 C ATOM 1294 CE2 PHE A 79 -7.888 10.743 -7.491 1.00 0.00 C ATOM 1295 CZ PHE A 79 -7.160 10.559 -8.650 1.00 0.00 C ATOM 0 H PHE A 79 -6.078 8.013 -4.074 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.393 8.972 -5.139 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.793 11.454 -4.181 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.259 11.568 -5.021 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.057 10.582 -7.341 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.810 11.017 -5.376 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.210 10.361 -9.499 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.966 10.787 -7.531 1.00 0.00 H new ATOM 0 HZ PHE A 79 -7.668 10.459 -9.598 1.00 0.00 H new ATOM 1305 N SER A 80 -3.429 8.766 -2.469 1.00 0.00 N ATOM 1306 CA SER A 80 -2.319 8.692 -1.549 1.00 0.00 C ATOM 1307 C SER A 80 -1.083 8.190 -2.276 1.00 0.00 C ATOM 1308 O SER A 80 -1.156 7.227 -3.039 1.00 0.00 O ATOM 1309 CB SER A 80 -2.686 7.755 -0.405 1.00 0.00 C ATOM 1310 OG SER A 80 -3.447 6.658 -0.881 1.00 0.00 O ATOM 0 H SER A 80 -4.090 7.993 -2.386 1.00 0.00 H new ATOM 0 HA SER A 80 -2.102 9.681 -1.145 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.780 7.392 0.080 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.255 8.299 0.349 1.00 0.00 H new ATOM 0 HG SER A 80 -4.396 6.811 -0.691 1.00 0.00 H new ATOM 1316 N GLU A 81 0.043 8.847 -2.059 1.00 0.00 N ATOM 1317 CA GLU A 81 1.262 8.470 -2.742 1.00 0.00 C ATOM 1318 C GLU A 81 2.042 7.451 -1.922 1.00 0.00 C ATOM 1319 O GLU A 81 2.669 7.784 -0.912 1.00 0.00 O ATOM 1320 CB GLU A 81 2.117 9.703 -3.042 1.00 0.00 C ATOM 1321 CG GLU A 81 3.348 9.388 -3.871 1.00 0.00 C ATOM 1322 CD GLU A 81 4.104 10.624 -4.312 1.00 0.00 C ATOM 1323 OE1 GLU A 81 4.673 11.325 -3.450 1.00 0.00 O ATOM 1324 OE2 GLU A 81 4.151 10.887 -5.533 1.00 0.00 O ATOM 0 H GLU A 81 0.136 9.637 -1.421 1.00 0.00 H new ATOM 0 HA GLU A 81 0.995 8.007 -3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.510 10.439 -3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.427 10.160 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.015 8.750 -3.291 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.049 8.820 -4.752 1.00 0.00 H new ATOM 1331 N ILE A 82 1.969 6.204 -2.356 1.00 0.00 N ATOM 1332 CA ILE A 82 2.665 5.117 -1.698 1.00 0.00 C ATOM 1333 C ILE A 82 3.959 4.814 -2.432 1.00 0.00 C ATOM 1334 O ILE A 82 3.955 4.280 -3.543 1.00 0.00 O ATOM 1335 CB ILE A 82 1.805 3.836 -1.633 1.00 0.00 C ATOM 1336 CG1 ILE A 82 0.462 4.127 -0.958 1.00 0.00 C ATOM 1337 CG2 ILE A 82 2.546 2.728 -0.891 1.00 0.00 C ATOM 1338 CD1 ILE A 82 0.594 4.728 0.422 1.00 0.00 C ATOM 0 H ILE A 82 1.427 5.920 -3.172 1.00 0.00 H new ATOM 0 HA ILE A 82 2.876 5.435 -0.677 1.00 0.00 H new ATOM 0 HB ILE A 82 1.615 3.498 -2.652 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.111 4.807 -1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.108 3.201 -0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.923 1.834 -0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.477 2.502 -1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.768 3.056 0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.398 4.907 0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.139 4.040 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.136 5.672 0.358 1.00 0.00 H new ATOM 1350 N VAL A 83 5.060 5.168 -1.810 1.00 0.00 N ATOM 1351 CA VAL A 83 6.369 4.966 -2.400 1.00 0.00 C ATOM 1352 C VAL A 83 6.915 3.616 -1.975 1.00 0.00 C ATOM 1353 O VAL A 83 7.030 3.335 -0.784 1.00 0.00 O ATOM 1354 CB VAL A 83 7.357 6.073 -1.981 1.00 0.00 C ATOM 1355 CG1 VAL A 83 8.631 5.992 -2.808 1.00 0.00 C ATOM 1356 CG2 VAL A 83 6.710 7.444 -2.109 1.00 0.00 C ATOM 0 H VAL A 83 5.077 5.601 -0.887 1.00 0.00 H new ATOM 0 HA VAL A 83 6.258 5.003 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 83 7.623 5.922 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.316 6.781 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.103 5.021 -2.656 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.388 6.116 -3.863 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.423 8.212 -1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.412 7.610 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.831 7.493 -1.466 1.00 0.00 H new ATOM 1366 N VAL A 84 7.227 2.773 -2.941 1.00 0.00 N ATOM 1367 CA VAL A 84 7.682 1.430 -2.647 1.00 0.00 C ATOM 1368 C VAL A 84 9.198 1.324 -2.784 1.00 0.00 C ATOM 1369 O VAL A 84 9.737 1.289 -3.894 1.00 0.00 O ATOM 1370 CB VAL A 84 6.995 0.398 -3.572 1.00 0.00 C ATOM 1371 CG1 VAL A 84 7.444 -1.015 -3.237 1.00 0.00 C ATOM 1372 CG2 VAL A 84 5.482 0.515 -3.472 1.00 0.00 C ATOM 0 H VAL A 84 7.173 2.995 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 84 7.410 1.209 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 84 7.291 0.613 -4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.947 -1.722 -3.901 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.524 -1.094 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.184 -1.244 -2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.016 -0.219 -4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.170 0.331 -2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.174 1.517 -3.771 1.00 0.00 H new ATOM 1382 N PHE A 85 9.884 1.295 -1.649 1.00 0.00 N ATOM 1383 CA PHE A 85 11.329 1.123 -1.636 1.00 0.00 C ATOM 1384 C PHE A 85 11.669 -0.355 -1.525 1.00 0.00 C ATOM 1385 O PHE A 85 11.134 -1.066 -0.673 1.00 0.00 O ATOM 1386 CB PHE A 85 11.973 1.902 -0.485 1.00 0.00 C ATOM 1387 CG PHE A 85 12.090 3.378 -0.742 1.00 0.00 C ATOM 1388 CD1 PHE A 85 13.151 3.878 -1.480 1.00 0.00 C ATOM 1389 CD2 PHE A 85 11.151 4.264 -0.243 1.00 0.00 C ATOM 1390 CE1 PHE A 85 13.271 5.234 -1.717 1.00 0.00 C ATOM 1391 CE2 PHE A 85 11.264 5.621 -0.476 1.00 0.00 C ATOM 1392 CZ PHE A 85 12.326 6.107 -1.214 1.00 0.00 C ATOM 0 H PHE A 85 9.462 1.389 -0.725 1.00 0.00 H new ATOM 0 HA PHE A 85 11.729 1.518 -2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.386 1.746 0.420 1.00 0.00 H new ATOM 0 HB3 PHE A 85 12.967 1.496 -0.295 1.00 0.00 H new ATOM 0 HD1 PHE A 85 13.893 3.200 -1.875 1.00 0.00 H new ATOM 0 HD2 PHE A 85 10.320 3.890 0.336 1.00 0.00 H new ATOM 0 HE1 PHE A 85 14.102 5.611 -2.295 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.523 6.301 -0.082 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.417 7.167 -1.397 1.00 0.00 H new ATOM 1402 N LEU A 86 12.552 -0.816 -2.393 1.00 0.00 N ATOM 1403 CA LEU A 86 12.879 -2.230 -2.459 1.00 0.00 C ATOM 1404 C LEU A 86 14.206 -2.506 -1.771 1.00 0.00 C ATOM 1405 O LEU A 86 15.205 -1.837 -2.033 1.00 0.00 O ATOM 1406 CB LEU A 86 12.920 -2.691 -3.918 1.00 0.00 C ATOM 1407 CG LEU A 86 11.655 -2.372 -4.722 1.00 0.00 C ATOM 1408 CD1 LEU A 86 11.724 -2.979 -6.110 1.00 0.00 C ATOM 1409 CD2 LEU A 86 10.419 -2.864 -3.987 1.00 0.00 C ATOM 0 H LEU A 86 13.055 -0.233 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 86 12.105 -2.793 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.774 -2.225 -4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.088 -3.768 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 86 11.588 -1.289 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.814 -2.737 -6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.586 -2.575 -6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.822 -4.062 -6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.530 -2.629 -4.572 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.485 -3.943 -3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.354 -2.374 -3.016 1.00 0.00 H new ATOM 1421 N LYS A 87 14.203 -3.487 -0.880 1.00 0.00 N ATOM 1422 CA LYS A 87 15.395 -3.839 -0.120 1.00 0.00 C ATOM 1423 C LYS A 87 16.300 -4.744 -0.935 1.00 0.00 C ATOM 1424 O LYS A 87 17.439 -4.405 -1.252 1.00 0.00 O ATOM 1425 CB LYS A 87 14.990 -4.534 1.181 1.00 0.00 C ATOM 1426 CG LYS A 87 14.081 -3.688 2.059 1.00 0.00 C ATOM 1427 CD LYS A 87 14.788 -2.433 2.535 1.00 0.00 C ATOM 1428 CE LYS A 87 13.838 -1.499 3.260 1.00 0.00 C ATOM 1429 NZ LYS A 87 14.563 -0.344 3.845 1.00 0.00 N ATOM 0 H LYS A 87 13.384 -4.056 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 87 15.943 -2.927 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.484 -5.470 0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.888 -4.791 1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.185 -3.414 1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.755 -4.273 2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.608 -2.706 3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.227 -1.916 1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.077 -1.141 2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.320 -2.044 4.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.888 0.278 4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.273 -0.687 4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 15.037 0.188 3.088 1.00 0.00 H new ATOM 1443 N SER A 88 15.775 -5.901 -1.260 1.00 0.00 N ATOM 1444 CA SER A 88 16.476 -6.873 -2.077 1.00 0.00 C ATOM 1445 C SER A 88 15.460 -7.700 -2.848 1.00 0.00 C ATOM 1446 O SER A 88 14.733 -8.505 -2.267 1.00 0.00 O ATOM 1447 CB SER A 88 17.358 -7.772 -1.205 1.00 0.00 C ATOM 1448 OG SER A 88 18.299 -7.000 -0.472 1.00 0.00 O ATOM 0 H SER A 88 14.845 -6.200 -0.966 1.00 0.00 H new ATOM 0 HA SER A 88 17.125 -6.354 -2.782 1.00 0.00 H new ATOM 0 HB2 SER A 88 16.735 -8.343 -0.517 1.00 0.00 H new ATOM 0 HB3 SER A 88 17.883 -8.493 -1.832 1.00 0.00 H new ATOM 0 HG SER A 88 18.851 -7.594 0.079 1.00 0.00 H new ATOM 1454 N ILE A 89 15.392 -7.480 -4.149 1.00 0.00 N ATOM 1455 CA ILE A 89 14.372 -8.115 -4.964 1.00 0.00 C ATOM 1456 C ILE A 89 14.832 -9.458 -5.509 1.00 0.00 C ATOM 1457 O ILE A 89 15.613 -9.531 -6.461 1.00 0.00 O ATOM 1458 CB ILE A 89 13.918 -7.210 -6.129 1.00 0.00 C ATOM 1459 CG1 ILE A 89 15.123 -6.574 -6.832 1.00 0.00 C ATOM 1460 CG2 ILE A 89 12.964 -6.144 -5.617 1.00 0.00 C ATOM 1461 CD1 ILE A 89 14.753 -5.747 -8.047 1.00 0.00 C ATOM 0 H ILE A 89 16.028 -6.869 -4.662 1.00 0.00 H new ATOM 0 HA ILE A 89 13.521 -8.283 -4.304 1.00 0.00 H new ATOM 0 HB ILE A 89 13.394 -7.824 -6.862 1.00 0.00 H new ATOM 0 HG12 ILE A 89 15.655 -5.941 -6.121 1.00 0.00 H new ATOM 0 HG13 ILE A 89 15.813 -7.362 -7.136 1.00 0.00 H new ATOM 0 HG21 ILE A 89 12.649 -5.510 -6.445 1.00 0.00 H new ATOM 0 HG22 ILE A 89 12.091 -6.621 -5.172 1.00 0.00 H new ATOM 0 HG23 ILE A 89 13.468 -5.536 -4.866 1.00 0.00 H new ATOM 0 HD11 ILE A 89 15.656 -5.329 -8.492 1.00 0.00 H new ATOM 0 HD12 ILE A 89 14.248 -6.379 -8.777 1.00 0.00 H new ATOM 0 HD13 ILE A 89 14.088 -4.937 -7.747 1.00 0.00 H new ATOM 1473 N ASN A 90 14.358 -10.520 -4.883 1.00 0.00 N ATOM 1474 CA ASN A 90 14.567 -11.857 -5.400 1.00 0.00 C ATOM 1475 C ASN A 90 13.417 -12.208 -6.330 1.00 0.00 C ATOM 1476 O ASN A 90 12.258 -11.905 -6.044 1.00 0.00 O ATOM 1477 CB ASN A 90 14.693 -12.896 -4.274 1.00 0.00 C ATOM 1478 CG ASN A 90 13.449 -13.030 -3.408 1.00 0.00 C ATOM 1479 OD1 ASN A 90 12.740 -12.056 -3.145 1.00 0.00 O ATOM 1480 ND2 ASN A 90 13.181 -14.245 -2.956 1.00 0.00 N ATOM 0 H ASN A 90 13.825 -10.481 -4.014 1.00 0.00 H new ATOM 0 HA ASN A 90 15.508 -11.876 -5.949 1.00 0.00 H new ATOM 0 HB2 ASN A 90 14.922 -13.867 -4.714 1.00 0.00 H new ATOM 0 HB3 ASN A 90 15.537 -12.627 -3.639 1.00 0.00 H new ATOM 0 HD21 ASN A 90 12.363 -14.401 -2.367 1.00 0.00 H new ATOM 0 HD22 ASN A 90 13.793 -15.025 -3.196 1.00 0.00 H new ATOM 1487 N ARG A 91 13.745 -12.811 -7.457 1.00 0.00 N ATOM 1488 CA ARG A 91 12.758 -13.108 -8.479 1.00 0.00 C ATOM 1489 C ARG A 91 11.851 -14.250 -8.029 1.00 0.00 C ATOM 1490 O ARG A 91 12.209 -15.423 -8.149 1.00 0.00 O ATOM 1491 CB ARG A 91 13.467 -13.460 -9.783 1.00 0.00 C ATOM 1492 CG ARG A 91 12.601 -13.316 -11.016 1.00 0.00 C ATOM 1493 CD ARG A 91 13.423 -13.528 -12.273 1.00 0.00 C ATOM 1494 NE ARG A 91 12.679 -13.181 -13.476 1.00 0.00 N ATOM 1495 CZ ARG A 91 13.223 -13.044 -14.678 1.00 0.00 C ATOM 1496 NH1 ARG A 91 14.535 -13.150 -14.837 1.00 0.00 N ATOM 1497 NH2 ARG A 91 12.447 -12.765 -15.715 1.00 0.00 N ATOM 0 H ARG A 91 14.693 -13.106 -7.689 1.00 0.00 H new ATOM 0 HA ARG A 91 12.134 -12.230 -8.642 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.344 -12.821 -9.891 1.00 0.00 H new ATOM 0 HB3 ARG A 91 13.827 -14.487 -9.723 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.786 -14.039 -10.981 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.147 -12.325 -11.035 1.00 0.00 H new ATOM 0 HD2 ARG A 91 14.329 -12.924 -12.220 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.738 -14.570 -12.329 1.00 0.00 H new ATOM 0 HE ARG A 91 11.674 -13.034 -13.388 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.133 -13.338 -14.032 1.00 0.00 H new ATOM 0 HH12 ARG A 91 14.947 -13.044 -15.764 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.441 -12.658 -15.585 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.856 -12.658 -16.643 1.00 0.00 H new ATOM 1511 N ALA A 92 10.691 -13.891 -7.492 1.00 0.00 N ATOM 1512 CA ALA A 92 9.747 -14.867 -6.968 1.00 0.00 C ATOM 1513 C ALA A 92 9.110 -15.672 -8.086 1.00 0.00 C ATOM 1514 O ALA A 92 9.331 -16.875 -8.202 1.00 0.00 O ATOM 1515 CB ALA A 92 8.682 -14.178 -6.130 1.00 0.00 C ATOM 0 H ALA A 92 10.381 -12.923 -7.408 1.00 0.00 H new ATOM 0 HA ALA A 92 10.297 -15.560 -6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 92 7.984 -14.922 -5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.155 -13.659 -5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.143 -13.459 -6.747 1.00 0.00 H new ATOM 1521 N LYS A 93 8.331 -15.001 -8.913 1.00 0.00 N ATOM 1522 CA LYS A 93 7.651 -15.669 -10.014 1.00 0.00 C ATOM 1523 C LYS A 93 8.546 -15.713 -11.247 1.00 0.00 C ATOM 1524 O LYS A 93 9.397 -16.594 -11.376 1.00 0.00 O ATOM 1525 CB LYS A 93 6.328 -14.974 -10.348 1.00 0.00 C ATOM 1526 CG LYS A 93 5.393 -14.814 -9.160 1.00 0.00 C ATOM 1527 CD LYS A 93 4.011 -14.348 -9.600 1.00 0.00 C ATOM 1528 CE LYS A 93 4.076 -13.058 -10.406 1.00 0.00 C ATOM 1529 NZ LYS A 93 2.732 -12.623 -10.866 1.00 0.00 N ATOM 0 H LYS A 93 8.152 -13.999 -8.847 1.00 0.00 H new ATOM 0 HA LYS A 93 7.431 -16.690 -9.701 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.542 -13.989 -10.763 1.00 0.00 H new ATOM 0 HB3 LYS A 93 5.817 -15.543 -11.125 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.307 -15.764 -8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.815 -14.095 -8.457 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.539 -15.127 -10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.383 -14.196 -8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.523 -12.272 -9.797 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.726 -13.202 -11.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.820 -11.741 -11.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.315 -13.362 -11.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.119 -12.461 -10.042 1.00 0.00 H new ATOM 1543 N ASP A 94 8.356 -14.761 -12.145 1.00 0.00 N ATOM 1544 CA ASP A 94 9.200 -14.639 -13.322 1.00 0.00 C ATOM 1545 C ASP A 94 9.196 -13.198 -13.811 1.00 0.00 C ATOM 1546 O ASP A 94 10.217 -12.519 -13.630 1.00 0.00 O ATOM 1547 CB ASP A 94 8.767 -15.610 -14.439 1.00 0.00 C ATOM 1548 CG ASP A 94 7.356 -15.380 -14.947 1.00 0.00 C ATOM 1549 OD1 ASP A 94 6.393 -15.687 -14.211 1.00 0.00 O ATOM 1550 OD2 ASP A 94 7.201 -14.903 -16.090 1.00 0.00 O ATOM 1551 OXT ASP A 94 8.162 -12.731 -14.322 1.00 0.00 O ATOM 0 H ASP A 94 7.620 -14.057 -12.081 1.00 0.00 H new ATOM 0 HA ASP A 94 10.218 -14.914 -13.044 1.00 0.00 H new ATOM 0 HB2 ASP A 94 9.462 -15.519 -15.274 1.00 0.00 H new ATOM 0 HB3 ASP A 94 8.846 -16.632 -14.068 1.00 0.00 H new TER 1556 ASP A 94