USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 956 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 81 SER OG : rot 74:sc= 0.573 USER MOD Set 1.2: A 82 ASN :FLIP amide:sc= 0.526 F(o=0,f=1.1) USER MOD Set 2.1: A 68 TYR OH : rot -120:sc= 0.217 USER MOD Set 2.2: A 71 ASN : amide:sc= 0.211 K(o=0.43,f=-0.71) USER MOD Set 3.1: A 54 SER OG : rot -66:sc= 1.2 USER MOD Set 3.2: A 63 HIS : no HD1:sc= 0.822 K(o=2,f=-6.6!) USER MOD Set 4.1: A 36 GLN : amide:sc= -0.294 X(o=0.32,f=0.68) USER MOD Set 4.2: A 57 SER OG : rot 180:sc= 0.616 USER MOD Set 5.1: A 11 MET CE :methyl -173:sc= 0 (180deg=-0.0236) USER MOD Set 5.2: A 17 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.71) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= -0.424! (180deg=-1.32!) USER MOD Single : A 3 HIS : no HD1:sc= -0.0074 X(o=-0.0074,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0469 X(o=-0.047,f=-0.28) USER MOD Single : A 5 HIS : no HD1:sc=-0.00517 X(o=-0.0052,f=-0.0052) USER MOD Single : A 6 HIS : no HD1:sc=-0.00361 X(o=-0.0036,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 8 HIS : no HE2:sc= -0.62 K(o=-0.62,f=-2.2) USER MOD Single : A 9 SER OG : rot -109:sc= 0.18 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -131:sc= 1.04 (180deg=-0.454) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : +bothHN:sc= -1.17! C(o=-1.2!,f=-4.7!) USER MOD Single : A 30 GLN : amide:sc= 0.467 K(o=0.47,f=-0.27) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.273 USER MOD Single : A 45 HIS : no HD1:sc= -0.248 K(o=-0.25,f=-5.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -103:sc= 0.973 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0.0598 K(o=0.06,f=-7.8!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.027) USER MOD Single : A 89 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.00099) USER MOD Single : A 90 HIS : no HE2:sc= 0.515 K(o=0.52,f=-2.9!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 93 THR OG1 : rot -93:sc= 1.18 USER MOD Single : A 94 LYS NZ :NH3+ 172:sc= -0.0702 (180deg=-0.149) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.0591 F(o=-0.83,f=-0.059) USER MOD Single : A 98 THR OG1 : rot -130:sc= 0.9 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 155:sc= 1.24 (180deg=0.448) USER MOD Single : A 101 SER OG : rot 160:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.685 X(o=-0.68,f=-0.67) USER MOD Single : A 111 LYS NZ :NH3+ -156:sc= 1.18 (180deg=0.0743) USER MOD Single : A 113 LYS NZ :NH3+ 137:sc= -2.12! (180deg=-4.4!) USER MOD Single : A 114 LYS NZ :NH3+ -102:sc= -1.14 (180deg=-3.58!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.451 -24.965 -32.475 1.00 21.24 N ATOM 2 CA MET A 1 8.567 -25.462 -31.077 1.00 24.41 C ATOM 3 C MET A 1 9.935 -25.092 -30.494 1.00 1.34 C ATOM 4 O MET A 1 10.848 -24.727 -31.235 1.00 33.02 O ATOM 5 CB MET A 1 8.378 -26.986 -31.038 1.00 3.21 C ATOM 6 CG MET A 1 7.113 -27.463 -31.735 1.00 22.11 C ATOM 7 SD MET A 1 7.108 -27.050 -33.494 1.00 33.53 S ATOM 8 CE MET A 1 5.530 -27.726 -34.007 1.00 73.11 C ATOM 0 H1 MET A 1 7.812 -25.585 -33.012 1.00 21.24 H new ATOM 0 H2 MET A 1 8.070 -23.997 -32.469 1.00 21.24 H new ATOM 0 H3 MET A 1 9.390 -24.965 -32.922 1.00 21.24 H new ATOM 0 HA MET A 1 7.788 -24.993 -30.476 1.00 24.41 H new ATOM 0 HB2 MET A 1 9.241 -27.462 -31.504 1.00 3.21 H new ATOM 0 HB3 MET A 1 8.355 -27.314 -29.999 1.00 3.21 H new ATOM 0 HG2 MET A 1 7.020 -28.542 -31.616 1.00 22.11 H new ATOM 0 HG3 MET A 1 6.244 -27.013 -31.255 1.00 22.11 H new ATOM 0 HE1 MET A 1 5.387 -27.547 -35.073 1.00 73.11 H new ATOM 0 HE2 MET A 1 5.514 -28.799 -33.814 1.00 73.11 H new ATOM 0 HE3 MET A 1 4.728 -27.244 -33.447 1.00 73.11 H new ATOM 20 N GLY A 2 10.077 -25.177 -29.171 1.00 44.00 N ATOM 21 CA GLY A 2 11.362 -24.883 -28.540 1.00 14.24 C ATOM 22 C GLY A 2 11.231 -24.209 -27.177 1.00 42.32 C ATOM 23 O GLY A 2 10.490 -24.676 -26.313 1.00 41.23 O ATOM 0 H GLY A 2 9.332 -25.442 -28.526 1.00 44.00 H new ATOM 0 HA2 GLY A 2 11.922 -25.811 -28.425 1.00 14.24 H new ATOM 0 HA3 GLY A 2 11.943 -24.239 -29.200 1.00 14.24 H new ATOM 27 N HIS A 3 11.958 -23.109 -26.984 1.00 62.23 N ATOM 28 CA HIS A 3 11.986 -22.404 -25.696 1.00 44.00 C ATOM 29 C HIS A 3 11.249 -21.057 -25.775 1.00 53.52 C ATOM 30 O HIS A 3 11.439 -20.289 -26.721 1.00 54.54 O ATOM 31 CB HIS A 3 13.440 -22.184 -25.260 1.00 32.44 C ATOM 32 CG HIS A 3 14.220 -23.457 -25.111 1.00 61.11 C ATOM 33 ND1 HIS A 3 14.457 -24.061 -23.893 1.00 43.20 N ATOM 34 CD2 HIS A 3 14.817 -24.245 -26.038 1.00 43.21 C ATOM 35 CE1 HIS A 3 15.160 -25.161 -24.076 1.00 54.14 C ATOM 36 NE2 HIS A 3 15.388 -25.294 -25.366 1.00 63.34 N ATOM 0 H HIS A 3 12.539 -22.682 -27.705 1.00 62.23 H new ATOM 0 HA HIS A 3 11.472 -23.021 -24.959 1.00 44.00 H new ATOM 0 HB2 HIS A 3 13.937 -21.546 -25.991 1.00 32.44 H new ATOM 0 HB3 HIS A 3 13.449 -21.649 -24.311 1.00 32.44 H new ATOM 0 HD2 HIS A 3 14.839 -24.078 -27.105 1.00 43.21 H new ATOM 0 HE1 HIS A 3 15.492 -25.837 -23.301 1.00 54.14 H new ATOM 0 HE2 HIS A 3 15.908 -26.058 -25.797 1.00 63.34 H new ATOM 45 N HIS A 4 10.417 -20.766 -24.776 1.00 70.12 N ATOM 46 CA HIS A 4 9.645 -19.516 -24.749 1.00 31.14 C ATOM 47 C HIS A 4 10.444 -18.375 -24.094 1.00 70.10 C ATOM 48 O HIS A 4 11.155 -18.581 -23.110 1.00 74.11 O ATOM 49 CB HIS A 4 8.315 -19.729 -24.011 1.00 74.53 C ATOM 50 CG HIS A 4 7.476 -18.487 -23.910 1.00 31.15 C ATOM 51 ND1 HIS A 4 6.708 -18.008 -24.950 1.00 72.34 N ATOM 52 CD2 HIS A 4 7.301 -17.613 -22.889 1.00 52.11 C ATOM 53 CE1 HIS A 4 6.104 -16.898 -24.574 1.00 74.25 C ATOM 54 NE2 HIS A 4 6.447 -16.637 -23.331 1.00 13.53 N ATOM 0 H HIS A 4 10.258 -21.375 -23.974 1.00 70.12 H new ATOM 0 HA HIS A 4 9.438 -19.228 -25.780 1.00 31.14 H new ATOM 0 HB2 HIS A 4 7.744 -20.502 -24.525 1.00 74.53 H new ATOM 0 HB3 HIS A 4 8.522 -20.100 -23.007 1.00 74.53 H new ATOM 0 HD2 HIS A 4 7.751 -17.674 -21.909 1.00 52.11 H new ATOM 0 HE1 HIS A 4 5.440 -16.303 -25.184 1.00 74.25 H new ATOM 0 HE2 HIS A 4 6.128 -15.837 -22.784 1.00 13.53 H new ATOM 63 N HIS A 5 10.311 -17.169 -24.642 1.00 53.51 N ATOM 64 CA HIS A 5 11.041 -15.996 -24.146 1.00 13.03 C ATOM 65 C HIS A 5 10.178 -15.164 -23.175 1.00 65.51 C ATOM 66 O HIS A 5 8.959 -15.101 -23.309 1.00 15.12 O ATOM 67 CB HIS A 5 11.490 -15.137 -25.341 1.00 52.30 C ATOM 68 CG HIS A 5 12.298 -13.926 -24.975 1.00 54.21 C ATOM 69 ND1 HIS A 5 13.672 -13.938 -24.868 1.00 70.11 N ATOM 70 CD2 HIS A 5 11.919 -12.655 -24.706 1.00 21.34 C ATOM 71 CE1 HIS A 5 14.100 -12.733 -24.551 1.00 42.41 C ATOM 72 NE2 HIS A 5 13.059 -11.936 -24.447 1.00 4.34 N ATOM 0 H HIS A 5 9.701 -16.974 -25.436 1.00 53.51 H new ATOM 0 HA HIS A 5 11.915 -16.337 -23.592 1.00 13.03 H new ATOM 0 HB2 HIS A 5 12.078 -15.758 -26.017 1.00 52.30 H new ATOM 0 HB3 HIS A 5 10.606 -14.814 -25.892 1.00 52.30 H new ATOM 0 HD2 HIS A 5 10.907 -12.277 -24.697 1.00 21.34 H new ATOM 0 HE1 HIS A 5 15.131 -12.448 -24.402 1.00 42.41 H new ATOM 0 HE2 HIS A 5 13.093 -10.944 -24.212 1.00 4.34 H new ATOM 81 N HIS A 6 10.820 -14.553 -22.175 1.00 10.33 N ATOM 82 CA HIS A 6 10.144 -13.616 -21.262 1.00 41.24 C ATOM 83 C HIS A 6 10.631 -12.177 -21.498 1.00 52.32 C ATOM 84 O HIS A 6 11.832 -11.905 -21.452 1.00 52.11 O ATOM 85 CB HIS A 6 10.384 -14.022 -19.798 1.00 35.24 C ATOM 86 CG HIS A 6 9.582 -15.211 -19.362 1.00 64.15 C ATOM 87 ND1 HIS A 6 8.892 -15.252 -18.171 1.00 2.32 N ATOM 88 CD2 HIS A 6 9.356 -16.402 -19.960 1.00 52.54 C ATOM 89 CE1 HIS A 6 8.278 -16.411 -18.057 1.00 22.25 C ATOM 90 NE2 HIS A 6 8.540 -17.128 -19.129 1.00 1.43 N ATOM 0 H HIS A 6 11.811 -14.689 -21.974 1.00 10.33 H new ATOM 0 HA HIS A 6 9.074 -13.657 -21.467 1.00 41.24 H new ATOM 0 HB2 HIS A 6 11.443 -14.239 -19.660 1.00 35.24 H new ATOM 0 HB3 HIS A 6 10.145 -13.177 -19.152 1.00 35.24 H new ATOM 0 HD2 HIS A 6 9.745 -16.723 -20.915 1.00 52.54 H new ATOM 0 HE1 HIS A 6 7.663 -16.721 -17.225 1.00 22.25 H new ATOM 0 HE2 HIS A 6 8.193 -18.070 -19.312 1.00 1.43 H new ATOM 99 N HIS A 7 9.702 -11.258 -21.758 1.00 74.40 N ATOM 100 CA HIS A 7 10.059 -9.865 -22.060 1.00 61.52 C ATOM 101 C HIS A 7 9.699 -8.902 -20.912 1.00 14.13 C ATOM 102 O HIS A 7 8.549 -8.485 -20.768 1.00 55.23 O ATOM 103 CB HIS A 7 9.375 -9.413 -23.358 1.00 54.32 C ATOM 104 CG HIS A 7 9.652 -7.985 -23.718 1.00 33.10 C ATOM 105 ND1 HIS A 7 8.676 -7.013 -23.757 1.00 30.52 N ATOM 106 CD2 HIS A 7 10.806 -7.364 -24.060 1.00 0.22 C ATOM 107 CE1 HIS A 7 9.214 -5.864 -24.110 1.00 73.44 C ATOM 108 NE2 HIS A 7 10.504 -6.047 -24.298 1.00 10.05 N ATOM 0 H HIS A 7 8.700 -11.448 -21.767 1.00 74.40 H new ATOM 0 HA HIS A 7 11.141 -9.831 -22.183 1.00 61.52 H new ATOM 0 HB2 HIS A 7 9.705 -10.055 -24.175 1.00 54.32 H new ATOM 0 HB3 HIS A 7 8.298 -9.551 -23.258 1.00 54.32 H new ATOM 0 HD2 HIS A 7 11.782 -7.820 -24.132 1.00 0.22 H new ATOM 0 HE1 HIS A 7 8.686 -4.929 -24.226 1.00 73.44 H new ATOM 0 HE2 HIS A 7 11.171 -5.327 -24.576 1.00 10.05 H new ATOM 117 N HIS A 8 10.691 -8.565 -20.095 1.00 40.53 N ATOM 118 CA HIS A 8 10.532 -7.557 -19.041 1.00 73.33 C ATOM 119 C HIS A 8 10.917 -6.161 -19.561 1.00 32.52 C ATOM 120 O HIS A 8 12.101 -5.862 -19.739 1.00 1.10 O ATOM 121 CB HIS A 8 11.405 -7.925 -17.831 1.00 1.04 C ATOM 122 CG HIS A 8 11.358 -6.928 -16.706 1.00 22.03 C ATOM 123 ND1 HIS A 8 12.031 -5.725 -16.734 1.00 0.20 N ATOM 124 CD2 HIS A 8 10.722 -6.963 -15.509 1.00 52.14 C ATOM 125 CE1 HIS A 8 11.815 -5.071 -15.613 1.00 42.44 C ATOM 126 NE2 HIS A 8 11.024 -5.797 -14.847 1.00 71.21 N ATOM 0 H HIS A 8 11.623 -8.977 -20.140 1.00 40.53 H new ATOM 0 HA HIS A 8 9.485 -7.535 -18.737 1.00 73.33 H new ATOM 0 HB2 HIS A 8 11.089 -8.897 -17.452 1.00 1.04 H new ATOM 0 HB3 HIS A 8 12.438 -8.032 -18.162 1.00 1.04 H new ATOM 0 HD1 HIS A 8 12.608 -5.393 -17.506 1.00 0.20 H new ATOM 0 HD2 HIS A 8 10.093 -7.761 -15.143 1.00 52.14 H new ATOM 0 HE1 HIS A 8 12.218 -4.101 -15.362 1.00 42.44 H new ATOM 135 N SER A 9 9.920 -5.316 -19.818 1.00 4.53 N ATOM 136 CA SER A 9 10.175 -3.936 -20.253 1.00 1.40 C ATOM 137 C SER A 9 10.572 -3.050 -19.061 1.00 12.40 C ATOM 138 O SER A 9 10.782 -3.544 -17.955 1.00 44.50 O ATOM 139 CB SER A 9 8.940 -3.356 -20.958 1.00 41.10 C ATOM 140 OG SER A 9 9.182 -2.034 -21.419 1.00 34.23 O ATOM 0 H SER A 9 8.932 -5.557 -19.734 1.00 4.53 H new ATOM 0 HA SER A 9 11.005 -3.953 -20.959 1.00 1.40 H new ATOM 0 HB2 SER A 9 8.667 -3.993 -21.800 1.00 41.10 H new ATOM 0 HB3 SER A 9 8.094 -3.355 -20.271 1.00 41.10 H new ATOM 0 HG SER A 9 8.671 -1.399 -20.875 1.00 34.23 H new ATOM 146 N HIS A 10 10.665 -1.742 -19.286 1.00 25.21 N ATOM 147 CA HIS A 10 11.099 -0.802 -18.242 1.00 4.14 C ATOM 148 C HIS A 10 10.108 -0.735 -17.070 1.00 41.34 C ATOM 149 O HIS A 10 8.909 -0.974 -17.239 1.00 1.11 O ATOM 150 CB HIS A 10 11.292 0.594 -18.837 1.00 71.52 C ATOM 151 CG HIS A 10 12.402 0.652 -19.839 1.00 54.02 C ATOM 152 ND1 HIS A 10 13.725 0.779 -19.482 1.00 33.05 N ATOM 153 CD2 HIS A 10 12.386 0.573 -21.192 1.00 74.23 C ATOM 154 CE1 HIS A 10 14.473 0.779 -20.566 1.00 10.33 C ATOM 155 NE2 HIS A 10 13.689 0.656 -21.617 1.00 31.14 N ATOM 0 H HIS A 10 10.447 -1.303 -20.181 1.00 25.21 H new ATOM 0 HA HIS A 10 12.047 -1.171 -17.851 1.00 4.14 H new ATOM 0 HB2 HIS A 10 10.364 0.913 -19.312 1.00 71.52 H new ATOM 0 HB3 HIS A 10 11.498 1.301 -18.033 1.00 71.52 H new ATOM 0 HD2 HIS A 10 11.513 0.465 -21.818 1.00 74.23 H new ATOM 0 HE1 HIS A 10 15.549 0.865 -20.589 1.00 10.33 H new ATOM 0 HE2 HIS A 10 13.999 0.627 -22.588 1.00 31.14 H new ATOM 164 N MET A 11 10.626 -0.394 -15.887 1.00 44.53 N ATOM 165 CA MET A 11 9.805 -0.304 -14.672 1.00 70.25 C ATOM 166 C MET A 11 8.706 0.760 -14.817 1.00 35.33 C ATOM 167 O MET A 11 8.984 1.950 -14.997 1.00 34.30 O ATOM 168 CB MET A 11 10.683 0.001 -13.448 1.00 11.20 C ATOM 169 CG MET A 11 9.894 0.108 -12.149 1.00 13.12 C ATOM 170 SD MET A 11 8.856 -1.339 -11.853 1.00 52.31 S ATOM 171 CE MET A 11 8.099 -0.904 -10.285 1.00 45.42 C ATOM 0 H MET A 11 11.612 -0.175 -15.743 1.00 44.53 H new ATOM 0 HA MET A 11 9.322 -1.270 -14.526 1.00 70.25 H new ATOM 0 HB2 MET A 11 11.434 -0.782 -13.345 1.00 11.20 H new ATOM 0 HB3 MET A 11 11.218 0.935 -13.618 1.00 11.20 H new ATOM 0 HG2 MET A 11 10.586 0.232 -11.316 1.00 13.12 H new ATOM 0 HG3 MET A 11 9.269 1.000 -12.179 1.00 13.12 H new ATOM 0 HE1 MET A 11 7.527 -1.752 -9.910 1.00 45.42 H new ATOM 0 HE2 MET A 11 8.876 -0.644 -9.566 1.00 45.42 H new ATOM 0 HE3 MET A 11 7.434 -0.052 -10.426 1.00 45.42 H new ATOM 181 N LYS A 12 7.459 0.316 -14.727 1.00 61.41 N ATOM 182 CA LYS A 12 6.299 1.187 -14.932 1.00 43.15 C ATOM 183 C LYS A 12 6.113 2.196 -13.787 1.00 5.34 C ATOM 184 O LYS A 12 6.363 1.881 -12.622 1.00 64.13 O ATOM 185 CB LYS A 12 5.039 0.327 -15.072 1.00 63.02 C ATOM 186 CG LYS A 12 5.096 -0.653 -16.237 1.00 31.42 C ATOM 187 CD LYS A 12 5.271 0.067 -17.571 1.00 45.30 C ATOM 188 CE LYS A 12 5.462 -0.916 -18.715 1.00 42.42 C ATOM 189 NZ LYS A 12 6.697 -1.727 -18.550 1.00 73.43 N ATOM 0 H LYS A 12 7.219 -0.652 -14.511 1.00 61.41 H new ATOM 0 HA LYS A 12 6.473 1.760 -15.842 1.00 43.15 H new ATOM 0 HB2 LYS A 12 4.884 -0.229 -14.147 1.00 63.02 H new ATOM 0 HB3 LYS A 12 4.176 0.980 -15.199 1.00 63.02 H new ATOM 0 HG2 LYS A 12 5.922 -1.349 -16.088 1.00 31.42 H new ATOM 0 HG3 LYS A 12 4.181 -1.245 -16.260 1.00 31.42 H new ATOM 0 HD2 LYS A 12 4.398 0.689 -17.767 1.00 45.30 H new ATOM 0 HD3 LYS A 12 6.132 0.734 -17.515 1.00 45.30 H new ATOM 0 HE2 LYS A 12 4.598 -1.578 -18.772 1.00 42.42 H new ATOM 0 HE3 LYS A 12 5.509 -0.371 -19.658 1.00 42.42 H new ATOM 0 HZ1 LYS A 12 7.242 -1.714 -19.436 1.00 73.43 H new ATOM 0 HZ2 LYS A 12 7.274 -1.328 -17.782 1.00 73.43 H new ATOM 0 HZ3 LYS A 12 6.440 -2.707 -18.317 1.00 73.43 H new ATOM 203 N PRO A 13 5.671 3.427 -14.109 1.00 32.20 N ATOM 204 CA PRO A 13 5.320 4.433 -13.089 1.00 55.43 C ATOM 205 C PRO A 13 4.103 4.012 -12.239 1.00 30.45 C ATOM 206 O PRO A 13 3.476 2.981 -12.499 1.00 25.45 O ATOM 207 CB PRO A 13 4.999 5.687 -13.919 1.00 3.43 C ATOM 208 CG PRO A 13 4.649 5.171 -15.274 1.00 24.42 C ATOM 209 CD PRO A 13 5.499 3.947 -15.478 1.00 71.12 C ATOM 0 HA PRO A 13 6.124 4.581 -12.368 1.00 55.43 H new ATOM 0 HB2 PRO A 13 4.172 6.248 -13.484 1.00 3.43 H new ATOM 0 HB3 PRO A 13 5.854 6.362 -13.962 1.00 3.43 H new ATOM 0 HG2 PRO A 13 3.589 4.926 -15.337 1.00 24.42 H new ATOM 0 HG3 PRO A 13 4.850 5.919 -16.041 1.00 24.42 H new ATOM 0 HD2 PRO A 13 5.010 3.220 -16.127 1.00 71.12 H new ATOM 0 HD3 PRO A 13 6.456 4.193 -15.939 1.00 71.12 H new ATOM 217 N LEU A 14 3.765 4.823 -11.237 1.00 75.53 N ATOM 218 CA LEU A 14 2.679 4.499 -10.297 1.00 12.14 C ATOM 219 C LEU A 14 1.338 4.226 -11.012 1.00 24.41 C ATOM 220 O LEU A 14 0.676 3.223 -10.744 1.00 75.25 O ATOM 221 CB LEU A 14 2.517 5.639 -9.281 1.00 13.43 C ATOM 222 CG LEU A 14 1.491 5.392 -8.162 1.00 70.21 C ATOM 223 CD1 LEU A 14 1.867 4.160 -7.343 1.00 13.12 C ATOM 224 CD2 LEU A 14 1.375 6.621 -7.266 1.00 4.34 C ATOM 0 H LEU A 14 4.226 5.713 -11.050 1.00 75.53 H new ATOM 0 HA LEU A 14 2.956 3.579 -9.782 1.00 12.14 H new ATOM 0 HB2 LEU A 14 3.487 5.834 -8.823 1.00 13.43 H new ATOM 0 HB3 LEU A 14 2.231 6.543 -9.819 1.00 13.43 H new ATOM 0 HG LEU A 14 0.520 5.207 -8.622 1.00 70.21 H new ATOM 0 HD11 LEU A 14 1.127 4.005 -6.558 1.00 13.12 H new ATOM 0 HD12 LEU A 14 1.894 3.285 -7.993 1.00 13.12 H new ATOM 0 HD13 LEU A 14 2.848 4.308 -6.893 1.00 13.12 H new ATOM 0 HD21 LEU A 14 0.645 6.430 -6.479 1.00 4.34 H new ATOM 0 HD22 LEU A 14 2.345 6.837 -6.817 1.00 4.34 H new ATOM 0 HD23 LEU A 14 1.052 7.476 -7.861 1.00 4.34 H new ATOM 236 N ALA A 15 0.949 5.119 -11.922 1.00 53.01 N ATOM 237 CA ALA A 15 -0.320 4.982 -12.658 1.00 3.24 C ATOM 238 C ALA A 15 -0.406 3.665 -13.454 1.00 53.23 C ATOM 239 O ALA A 15 -1.491 3.111 -13.647 1.00 1.50 O ATOM 240 CB ALA A 15 -0.511 6.173 -13.591 1.00 63.22 C ATOM 0 H ALA A 15 1.490 5.947 -12.171 1.00 53.01 H new ATOM 0 HA ALA A 15 -1.120 4.959 -11.918 1.00 3.24 H new ATOM 0 HB1 ALA A 15 -1.451 6.065 -14.132 1.00 63.22 H new ATOM 0 HB2 ALA A 15 -0.532 7.093 -13.007 1.00 63.22 H new ATOM 0 HB3 ALA A 15 0.314 6.214 -14.302 1.00 63.22 H new ATOM 246 N GLU A 16 0.742 3.153 -13.895 1.00 13.22 N ATOM 247 CA GLU A 16 0.783 1.935 -14.719 1.00 61.22 C ATOM 248 C GLU A 16 0.785 0.652 -13.868 1.00 2.25 C ATOM 249 O GLU A 16 0.877 -0.456 -14.404 1.00 11.21 O ATOM 250 CB GLU A 16 2.026 1.954 -15.619 1.00 14.21 C ATOM 251 CG GLU A 16 2.096 3.141 -16.572 1.00 54.12 C ATOM 252 CD GLU A 16 0.965 3.161 -17.583 1.00 50.43 C ATOM 253 OE1 GLU A 16 1.079 2.479 -18.623 1.00 73.14 O ATOM 254 OE2 GLU A 16 -0.043 3.858 -17.345 1.00 14.23 O ATOM 0 H GLU A 16 1.657 3.558 -13.699 1.00 13.22 H new ATOM 0 HA GLU A 16 -0.122 1.927 -15.327 1.00 61.22 H new ATOM 0 HB2 GLU A 16 2.916 1.957 -14.989 1.00 14.21 H new ATOM 0 HB3 GLU A 16 2.051 1.034 -16.202 1.00 14.21 H new ATOM 0 HG2 GLU A 16 2.075 4.065 -15.994 1.00 54.12 H new ATOM 0 HG3 GLU A 16 3.048 3.118 -17.102 1.00 54.12 H new ATOM 261 N GLN A 17 0.680 0.799 -12.546 1.00 53.41 N ATOM 262 CA GLN A 17 0.686 -0.352 -11.632 1.00 21.24 C ATOM 263 C GLN A 17 -0.730 -0.924 -11.428 1.00 0.23 C ATOM 264 O GLN A 17 -1.701 -0.178 -11.258 1.00 41.44 O ATOM 265 CB GLN A 17 1.282 0.056 -10.277 1.00 44.34 C ATOM 266 CG GLN A 17 2.703 0.609 -10.366 1.00 12.13 C ATOM 267 CD GLN A 17 3.710 -0.396 -10.906 1.00 71.42 C ATOM 268 OE1 GLN A 17 3.575 -1.602 -10.722 1.00 0.14 O ATOM 269 NE2 GLN A 17 4.728 0.091 -11.581 1.00 62.03 N ATOM 0 H GLN A 17 0.590 1.702 -12.081 1.00 53.41 H new ATOM 0 HA GLN A 17 1.301 -1.131 -12.084 1.00 21.24 H new ATOM 0 HB2 GLN A 17 0.638 0.808 -9.820 1.00 44.34 H new ATOM 0 HB3 GLN A 17 1.281 -0.810 -9.615 1.00 44.34 H new ATOM 0 HG2 GLN A 17 2.702 1.491 -11.006 1.00 12.13 H new ATOM 0 HG3 GLN A 17 3.021 0.934 -9.375 1.00 12.13 H new ATOM 0 HE21 GLN A 17 4.814 1.098 -11.718 1.00 62.03 H new ATOM 0 HE22 GLN A 17 5.432 -0.538 -11.968 1.00 62.03 H new ATOM 278 N ASP A 18 -0.838 -2.253 -11.438 1.00 4.33 N ATOM 279 CA ASP A 18 -2.125 -2.936 -11.259 1.00 21.31 C ATOM 280 C ASP A 18 -2.680 -2.749 -9.836 1.00 13.24 C ATOM 281 O ASP A 18 -3.890 -2.682 -9.639 1.00 14.04 O ATOM 282 CB ASP A 18 -1.983 -4.429 -11.575 1.00 52.22 C ATOM 283 CG ASP A 18 -1.697 -4.686 -13.045 1.00 24.42 C ATOM 284 OD1 ASP A 18 -0.524 -4.555 -13.462 1.00 21.52 O ATOM 285 OD2 ASP A 18 -2.639 -5.011 -13.795 1.00 63.43 O ATOM 0 H ASP A 18 -0.047 -2.883 -11.569 1.00 4.33 H new ATOM 0 HA ASP A 18 -2.834 -2.485 -11.954 1.00 21.31 H new ATOM 0 HB2 ASP A 18 -1.178 -4.850 -10.972 1.00 52.22 H new ATOM 0 HB3 ASP A 18 -2.899 -4.946 -11.290 1.00 52.22 H new ATOM 290 N TRP A 19 -1.792 -2.666 -8.851 1.00 64.31 N ATOM 291 CA TRP A 19 -2.210 -2.466 -7.456 1.00 23.25 C ATOM 292 C TRP A 19 -2.636 -1.010 -7.174 1.00 64.22 C ATOM 293 O TRP A 19 -3.191 -0.709 -6.115 1.00 41.11 O ATOM 294 CB TRP A 19 -1.097 -2.914 -6.490 1.00 44.31 C ATOM 295 CG TRP A 19 0.285 -2.461 -6.878 1.00 13.13 C ATOM 296 CD1 TRP A 19 1.190 -3.157 -7.631 1.00 35.01 C ATOM 297 CD2 TRP A 19 0.923 -1.224 -6.529 1.00 21.11 C ATOM 298 NE1 TRP A 19 2.344 -2.430 -7.774 1.00 55.10 N ATOM 299 CE2 TRP A 19 2.208 -1.242 -7.106 1.00 21.23 C ATOM 300 CE3 TRP A 19 0.536 -0.104 -5.789 1.00 12.12 C ATOM 301 CZ2 TRP A 19 3.105 -0.185 -6.966 1.00 52.24 C ATOM 302 CZ3 TRP A 19 1.427 0.945 -5.651 1.00 11.51 C ATOM 303 CH2 TRP A 19 2.699 0.898 -6.236 1.00 22.55 C ATOM 0 H TRP A 19 -0.783 -2.733 -8.985 1.00 64.31 H new ATOM 0 HA TRP A 19 -3.089 -3.088 -7.289 1.00 23.25 H new ATOM 0 HB2 TRP A 19 -1.324 -2.535 -5.494 1.00 44.31 H new ATOM 0 HB3 TRP A 19 -1.105 -4.002 -6.426 1.00 44.31 H new ATOM 0 HD1 TRP A 19 1.020 -4.137 -8.052 1.00 35.01 H new ATOM 0 HE1 TRP A 19 3.170 -2.726 -8.294 1.00 55.10 H new ATOM 0 HE3 TRP A 19 -0.442 -0.058 -5.333 1.00 12.12 H new ATOM 0 HZ2 TRP A 19 4.085 -0.220 -7.418 1.00 52.24 H new ATOM 0 HZ3 TRP A 19 1.137 1.816 -5.082 1.00 11.51 H new ATOM 0 HH2 TRP A 19 3.372 1.733 -6.108 1.00 22.55 H new ATOM 314 N TYR A 20 -2.397 -0.109 -8.126 1.00 13.22 N ATOM 315 CA TYR A 20 -2.810 1.293 -7.988 1.00 22.51 C ATOM 316 C TYR A 20 -4.166 1.539 -8.675 1.00 14.43 C ATOM 317 O TYR A 20 -4.247 1.607 -9.901 1.00 74.34 O ATOM 318 CB TYR A 20 -1.738 2.225 -8.572 1.00 34.00 C ATOM 319 CG TYR A 20 -2.120 3.696 -8.557 1.00 23.03 C ATOM 320 CD1 TYR A 20 -2.174 4.408 -7.364 1.00 72.44 C ATOM 321 CD2 TYR A 20 -2.431 4.370 -9.735 1.00 34.14 C ATOM 322 CE1 TYR A 20 -2.526 5.745 -7.348 1.00 73.13 C ATOM 323 CE2 TYR A 20 -2.781 5.706 -9.725 1.00 55.41 C ATOM 324 CZ TYR A 20 -2.828 6.390 -8.530 1.00 13.13 C ATOM 325 OH TYR A 20 -3.181 7.725 -8.515 1.00 40.40 O ATOM 0 H TYR A 20 -1.920 -0.322 -9.002 1.00 13.22 H new ATOM 0 HA TYR A 20 -2.924 1.510 -6.926 1.00 22.51 H new ATOM 0 HB2 TYR A 20 -0.813 2.095 -8.010 1.00 34.00 H new ATOM 0 HB3 TYR A 20 -1.531 1.925 -9.599 1.00 34.00 H new ATOM 0 HD1 TYR A 20 -1.937 3.909 -6.436 1.00 72.44 H new ATOM 0 HD2 TYR A 20 -2.398 3.838 -10.674 1.00 34.14 H new ATOM 0 HE1 TYR A 20 -2.565 6.283 -6.413 1.00 73.13 H new ATOM 0 HE2 TYR A 20 -3.017 6.212 -10.650 1.00 55.41 H new ATOM 0 HH TYR A 20 -3.361 8.026 -9.430 1.00 40.40 H new ATOM 335 N HIS A 21 -5.228 1.672 -7.875 1.00 51.21 N ATOM 336 CA HIS A 21 -6.591 1.848 -8.410 1.00 35.42 C ATOM 337 C HIS A 21 -6.950 3.330 -8.623 1.00 43.41 C ATOM 338 O HIS A 21 -7.981 3.649 -9.217 1.00 65.33 O ATOM 339 CB HIS A 21 -7.618 1.187 -7.476 1.00 4.53 C ATOM 340 CG HIS A 21 -7.569 -0.316 -7.481 1.00 23.44 C ATOM 341 ND1 HIS A 21 -8.656 -1.102 -7.794 1.00 71.34 N ATOM 342 CD2 HIS A 21 -6.558 -1.180 -7.202 1.00 32.40 C ATOM 343 CE1 HIS A 21 -8.324 -2.372 -7.704 1.00 62.42 C ATOM 344 NE2 HIS A 21 -7.056 -2.454 -7.350 1.00 63.32 N ATOM 0 H HIS A 21 -5.176 1.662 -6.856 1.00 51.21 H new ATOM 0 HA HIS A 21 -6.618 1.363 -9.386 1.00 35.42 H new ATOM 0 HB2 HIS A 21 -7.451 1.543 -6.459 1.00 4.53 H new ATOM 0 HB3 HIS A 21 -8.618 1.509 -7.766 1.00 4.53 H new ATOM 0 HD1 HIS A 21 -9.578 -0.753 -8.056 1.00 71.34 H new ATOM 0 HD2 HIS A 21 -5.550 -0.916 -6.917 1.00 32.40 H new ATOM 0 HE1 HIS A 21 -8.981 -3.209 -7.889 1.00 62.42 H new ATOM 0 HE2 HIS A 21 -6.532 -3.318 -7.209 1.00 63.32 H new ATOM 353 N GLY A 22 -6.103 4.228 -8.135 1.00 4.04 N ATOM 354 CA GLY A 22 -6.342 5.658 -8.311 1.00 40.21 C ATOM 355 C GLY A 22 -7.133 6.288 -7.169 1.00 34.32 C ATOM 356 O GLY A 22 -7.211 5.735 -6.069 1.00 23.52 O ATOM 0 H GLY A 22 -5.254 3.997 -7.620 1.00 4.04 H new ATOM 0 HA2 GLY A 22 -5.384 6.170 -8.404 1.00 40.21 H new ATOM 0 HA3 GLY A 22 -6.880 5.816 -9.246 1.00 40.21 H new ATOM 360 N ALA A 23 -7.714 7.454 -7.423 1.00 43.10 N ATOM 361 CA ALA A 23 -8.484 8.169 -6.403 1.00 72.34 C ATOM 362 C ALA A 23 -9.885 7.559 -6.200 1.00 62.22 C ATOM 363 O ALA A 23 -10.894 8.107 -6.655 1.00 70.43 O ATOM 364 CB ALA A 23 -8.575 9.649 -6.756 1.00 32.52 C ATOM 0 H ALA A 23 -7.669 7.928 -8.325 1.00 43.10 H new ATOM 0 HA ALA A 23 -7.957 8.065 -5.455 1.00 72.34 H new ATOM 0 HB1 ALA A 23 -9.150 10.171 -5.991 1.00 32.52 H new ATOM 0 HB2 ALA A 23 -7.572 10.073 -6.809 1.00 32.52 H new ATOM 0 HB3 ALA A 23 -9.068 9.763 -7.721 1.00 32.52 H new ATOM 370 N ILE A 24 -9.939 6.412 -5.523 1.00 24.10 N ATOM 371 CA ILE A 24 -11.211 5.739 -5.225 1.00 72.22 C ATOM 372 C ILE A 24 -11.609 5.928 -3.747 1.00 42.35 C ATOM 373 O ILE A 24 -10.753 6.185 -2.895 1.00 43.12 O ATOM 374 CB ILE A 24 -11.141 4.220 -5.543 1.00 71.23 C ATOM 375 CG1 ILE A 24 -10.136 3.512 -4.618 1.00 41.24 C ATOM 376 CG2 ILE A 24 -10.779 3.995 -7.011 1.00 70.14 C ATOM 377 CD1 ILE A 24 -10.127 2.006 -4.769 1.00 73.51 C ATOM 0 H ILE A 24 -9.116 5.925 -5.168 1.00 24.10 H new ATOM 0 HA ILE A 24 -11.966 6.199 -5.862 1.00 72.22 H new ATOM 0 HB ILE A 24 -12.126 3.788 -5.363 1.00 71.23 H new ATOM 0 HG12 ILE A 24 -9.136 3.895 -4.822 1.00 41.24 H new ATOM 0 HG13 ILE A 24 -10.369 3.763 -3.583 1.00 41.24 H new ATOM 0 HG21 ILE A 24 -10.735 2.925 -7.215 1.00 70.14 H new ATOM 0 HG22 ILE A 24 -11.536 4.455 -7.647 1.00 70.14 H new ATOM 0 HG23 ILE A 24 -9.808 4.445 -7.219 1.00 70.14 H new ATOM 0 HD11 ILE A 24 -9.395 1.576 -4.086 1.00 73.51 H new ATOM 0 HD12 ILE A 24 -11.116 1.611 -4.536 1.00 73.51 H new ATOM 0 HD13 ILE A 24 -9.864 1.745 -5.794 1.00 73.51 H new ATOM 389 N PRO A 25 -12.914 5.808 -3.419 1.00 41.12 N ATOM 390 CA PRO A 25 -13.402 5.940 -2.031 1.00 13.30 C ATOM 391 C PRO A 25 -12.988 4.764 -1.124 1.00 43.41 C ATOM 392 O PRO A 25 -12.694 3.661 -1.599 1.00 71.41 O ATOM 393 CB PRO A 25 -14.929 5.986 -2.198 1.00 64.11 C ATOM 394 CG PRO A 25 -15.192 5.258 -3.474 1.00 62.11 C ATOM 395 CD PRO A 25 -14.019 5.557 -4.370 1.00 3.12 C ATOM 0 HA PRO A 25 -12.981 6.817 -1.540 1.00 13.30 H new ATOM 0 HB2 PRO A 25 -15.434 5.509 -1.358 1.00 64.11 H new ATOM 0 HB3 PRO A 25 -15.292 7.013 -2.246 1.00 64.11 H new ATOM 0 HG2 PRO A 25 -15.287 4.186 -3.300 1.00 62.11 H new ATOM 0 HG3 PRO A 25 -16.125 5.591 -3.928 1.00 62.11 H new ATOM 0 HD2 PRO A 25 -13.796 4.721 -5.032 1.00 3.12 H new ATOM 0 HD3 PRO A 25 -14.208 6.424 -5.003 1.00 3.12 H new ATOM 403 N ARG A 26 -12.988 5.009 0.191 1.00 13.03 N ATOM 404 CA ARG A 26 -12.603 3.994 1.186 1.00 34.12 C ATOM 405 C ARG A 26 -13.445 2.711 1.050 1.00 11.44 C ATOM 406 O ARG A 26 -12.938 1.599 1.227 1.00 1.33 O ATOM 407 CB ARG A 26 -12.750 4.573 2.604 1.00 32.31 C ATOM 408 CG ARG A 26 -12.306 3.628 3.723 1.00 21.12 C ATOM 409 CD ARG A 26 -12.503 4.250 5.105 1.00 12.01 C ATOM 410 NE ARG A 26 -11.740 5.490 5.271 1.00 1.13 N ATOM 411 CZ ARG A 26 -11.910 6.328 6.260 1.00 71.42 C ATOM 412 NH1 ARG A 26 -12.791 6.097 7.183 1.00 20.01 N ATOM 413 NH2 ARG A 26 -11.193 7.399 6.323 1.00 24.35 N ATOM 0 H ARG A 26 -13.252 5.907 0.596 1.00 13.03 H new ATOM 0 HA ARG A 26 -11.562 3.726 1.004 1.00 34.12 H new ATOM 0 HB2 ARG A 26 -12.168 5.493 2.670 1.00 32.31 H new ATOM 0 HB3 ARG A 26 -13.793 4.843 2.766 1.00 32.31 H new ATOM 0 HG2 ARG A 26 -12.872 2.698 3.659 1.00 21.12 H new ATOM 0 HG3 ARG A 26 -11.255 3.372 3.586 1.00 21.12 H new ATOM 0 HD2 ARG A 26 -13.562 4.454 5.261 1.00 12.01 H new ATOM 0 HD3 ARG A 26 -12.200 3.535 5.869 1.00 12.01 H new ATOM 0 HE ARG A 26 -11.032 5.713 4.571 1.00 1.13 H new ATOM 0 HH11 ARG A 26 -13.362 5.253 7.143 1.00 20.01 H new ATOM 0 HH12 ARG A 26 -12.913 6.760 7.949 1.00 20.01 H new ATOM 0 HH21 ARG A 26 -10.496 7.589 5.603 1.00 24.35 H new ATOM 0 HH22 ARG A 26 -11.323 8.055 7.093 1.00 24.35 H new ATOM 427 N ILE A 27 -14.730 2.874 0.728 1.00 55.35 N ATOM 428 CA ILE A 27 -15.638 1.733 0.547 1.00 31.41 C ATOM 429 C ILE A 27 -15.120 0.765 -0.532 1.00 34.55 C ATOM 430 O ILE A 27 -14.877 -0.408 -0.260 1.00 2.10 O ATOM 431 CB ILE A 27 -17.064 2.204 0.159 1.00 2.52 C ATOM 432 CG1 ILE A 27 -17.613 3.187 1.209 1.00 4.32 C ATOM 433 CG2 ILE A 27 -18.003 1.004 -0.001 1.00 72.04 C ATOM 434 CD1 ILE A 27 -18.991 3.736 0.881 1.00 22.45 C ATOM 0 H ILE A 27 -15.168 3.784 0.587 1.00 55.35 H new ATOM 0 HA ILE A 27 -15.679 1.212 1.503 1.00 31.41 H new ATOM 0 HB ILE A 27 -17.006 2.722 -0.798 1.00 2.52 H new ATOM 0 HG12 ILE A 27 -17.654 2.685 2.175 1.00 4.32 H new ATOM 0 HG13 ILE A 27 -16.917 4.019 1.312 1.00 4.32 H new ATOM 0 HG21 ILE A 27 -18.998 1.355 -0.273 1.00 72.04 H new ATOM 0 HG22 ILE A 27 -17.623 0.347 -0.783 1.00 72.04 H new ATOM 0 HG23 ILE A 27 -18.056 0.456 0.940 1.00 72.04 H new ATOM 0 HD11 ILE A 27 -19.307 4.420 1.668 1.00 22.45 H new ATOM 0 HD12 ILE A 27 -18.954 4.269 -0.069 1.00 22.45 H new ATOM 0 HD13 ILE A 27 -19.702 2.913 0.808 1.00 22.45 H new ATOM 446 N GLU A 28 -14.921 1.269 -1.748 1.00 41.22 N ATOM 447 CA GLU A 28 -14.428 0.443 -2.856 1.00 51.14 C ATOM 448 C GLU A 28 -13.067 -0.191 -2.537 1.00 61.55 C ATOM 449 O GLU A 28 -12.757 -1.289 -3.009 1.00 72.44 O ATOM 450 CB GLU A 28 -14.334 1.272 -4.143 1.00 13.42 C ATOM 451 CG GLU A 28 -15.688 1.725 -4.673 1.00 11.11 C ATOM 452 CD GLU A 28 -16.633 0.562 -4.941 1.00 55.32 C ATOM 453 OE1 GLU A 28 -16.239 -0.373 -5.673 1.00 71.31 O ATOM 454 OE2 GLU A 28 -17.775 0.583 -4.437 1.00 31.51 O ATOM 0 H GLU A 28 -15.092 2.244 -1.994 1.00 41.22 H new ATOM 0 HA GLU A 28 -15.145 -0.365 -3.001 1.00 51.14 H new ATOM 0 HB2 GLU A 28 -13.714 2.149 -3.957 1.00 13.42 H new ATOM 0 HB3 GLU A 28 -13.831 0.683 -4.910 1.00 13.42 H new ATOM 0 HG2 GLU A 28 -16.147 2.402 -3.953 1.00 11.11 H new ATOM 0 HG3 GLU A 28 -15.543 2.289 -5.594 1.00 11.11 H new ATOM 461 N ALA A 29 -12.264 0.502 -1.729 1.00 4.40 N ATOM 462 CA ALA A 29 -10.942 0.011 -1.338 1.00 20.44 C ATOM 463 C ALA A 29 -11.044 -1.262 -0.482 1.00 63.31 C ATOM 464 O ALA A 29 -10.235 -2.178 -0.614 1.00 71.44 O ATOM 465 CB ALA A 29 -10.175 1.097 -0.585 1.00 64.04 C ATOM 0 H ALA A 29 -12.507 1.409 -1.331 1.00 4.40 H new ATOM 0 HA ALA A 29 -10.398 -0.243 -2.248 1.00 20.44 H new ATOM 0 HB1 ALA A 29 -9.193 0.718 -0.300 1.00 64.04 H new ATOM 0 HB2 ALA A 29 -10.055 1.969 -1.227 1.00 64.04 H new ATOM 0 HB3 ALA A 29 -10.729 1.379 0.310 1.00 64.04 H new ATOM 471 N GLN A 30 -12.047 -1.318 0.397 1.00 53.24 N ATOM 472 CA GLN A 30 -12.234 -2.477 1.280 1.00 64.32 C ATOM 473 C GLN A 30 -13.055 -3.591 0.608 1.00 45.14 C ATOM 474 O GLN A 30 -12.787 -4.777 0.813 1.00 11.30 O ATOM 475 CB GLN A 30 -12.924 -2.055 2.586 1.00 41.35 C ATOM 476 CG GLN A 30 -14.353 -1.559 2.392 1.00 32.22 C ATOM 477 CD GLN A 30 -15.092 -1.324 3.695 1.00 71.10 C ATOM 478 OE1 GLN A 30 -14.500 -0.958 4.703 1.00 3.23 O ATOM 479 NE2 GLN A 30 -16.391 -1.548 3.691 1.00 33.44 N ATOM 0 H GLN A 30 -12.740 -0.580 0.518 1.00 53.24 H new ATOM 0 HA GLN A 30 -11.241 -2.871 1.498 1.00 64.32 H new ATOM 0 HB2 GLN A 30 -12.933 -2.902 3.272 1.00 41.35 H new ATOM 0 HB3 GLN A 30 -12.337 -1.268 3.059 1.00 41.35 H new ATOM 0 HG2 GLN A 30 -14.333 -0.630 1.822 1.00 32.22 H new ATOM 0 HG3 GLN A 30 -14.904 -2.287 1.796 1.00 32.22 H new ATOM 0 HE21 GLN A 30 -16.853 -1.852 2.834 1.00 33.44 H new ATOM 0 HE22 GLN A 30 -16.934 -1.417 4.545 1.00 33.44 H new ATOM 488 N GLU A 31 -14.047 -3.201 -0.196 1.00 45.15 N ATOM 489 CA GLU A 31 -14.993 -4.154 -0.803 1.00 21.01 C ATOM 490 C GLU A 31 -14.314 -5.151 -1.758 1.00 23.05 C ATOM 491 O GLU A 31 -14.864 -6.219 -2.038 1.00 14.33 O ATOM 492 CB GLU A 31 -16.099 -3.398 -1.553 1.00 2.34 C ATOM 493 CG GLU A 31 -16.969 -2.513 -0.663 1.00 13.51 C ATOM 494 CD GLU A 31 -17.748 -3.299 0.382 1.00 54.33 C ATOM 495 OE1 GLU A 31 -18.809 -3.865 0.037 1.00 24.32 O ATOM 496 OE2 GLU A 31 -17.310 -3.348 1.551 1.00 74.15 O ATOM 0 H GLU A 31 -14.220 -2.227 -0.446 1.00 45.15 H new ATOM 0 HA GLU A 31 -15.420 -4.732 0.017 1.00 21.01 H new ATOM 0 HB2 GLU A 31 -15.641 -2.779 -2.325 1.00 2.34 H new ATOM 0 HB3 GLU A 31 -16.737 -4.121 -2.061 1.00 2.34 H new ATOM 0 HG2 GLU A 31 -16.337 -1.780 -0.161 1.00 13.51 H new ATOM 0 HG3 GLU A 31 -17.669 -1.957 -1.287 1.00 13.51 H new ATOM 503 N LEU A 32 -13.138 -4.800 -2.273 1.00 50.13 N ATOM 504 CA LEU A 32 -12.403 -5.692 -3.183 1.00 74.41 C ATOM 505 C LEU A 32 -11.415 -6.592 -2.420 1.00 32.34 C ATOM 506 O LEU A 32 -10.907 -7.572 -2.963 1.00 4.22 O ATOM 507 CB LEU A 32 -11.687 -4.866 -4.273 1.00 42.13 C ATOM 508 CG LEU A 32 -10.555 -3.927 -3.807 1.00 31.41 C ATOM 509 CD1 LEU A 32 -9.223 -4.669 -3.715 1.00 54.30 C ATOM 510 CD2 LEU A 32 -10.441 -2.726 -4.744 1.00 23.11 C ATOM 0 H LEU A 32 -12.672 -3.913 -2.081 1.00 50.13 H new ATOM 0 HA LEU A 32 -13.122 -6.352 -3.667 1.00 74.41 H new ATOM 0 HB2 LEU A 32 -11.273 -5.558 -5.006 1.00 42.13 H new ATOM 0 HB3 LEU A 32 -12.435 -4.265 -4.789 1.00 42.13 H new ATOM 0 HG LEU A 32 -10.804 -3.567 -2.809 1.00 31.41 H new ATOM 0 HD11 LEU A 32 -8.445 -3.981 -3.384 1.00 54.30 H new ATOM 0 HD12 LEU A 32 -9.311 -5.488 -3.001 1.00 54.30 H new ATOM 0 HD13 LEU A 32 -8.961 -5.069 -4.695 1.00 54.30 H new ATOM 0 HD21 LEU A 32 -9.638 -2.073 -4.402 1.00 23.11 H new ATOM 0 HD22 LEU A 32 -10.222 -3.072 -5.754 1.00 23.11 H new ATOM 0 HD23 LEU A 32 -11.381 -2.175 -4.745 1.00 23.11 H new ATOM 522 N LEU A 33 -11.153 -6.251 -1.158 1.00 42.42 N ATOM 523 CA LEU A 33 -10.251 -7.033 -0.306 1.00 34.13 C ATOM 524 C LEU A 33 -10.996 -8.218 0.330 1.00 44.23 C ATOM 525 O LEU A 33 -11.902 -8.021 1.147 1.00 61.12 O ATOM 526 CB LEU A 33 -9.654 -6.135 0.785 1.00 3.35 C ATOM 527 CG LEU A 33 -8.841 -4.933 0.273 1.00 2.02 C ATOM 528 CD1 LEU A 33 -8.373 -4.061 1.434 1.00 60.12 C ATOM 529 CD2 LEU A 33 -7.650 -5.401 -0.559 1.00 40.24 C ATOM 0 H LEU A 33 -11.555 -5.433 -0.699 1.00 42.42 H new ATOM 0 HA LEU A 33 -9.444 -7.428 -0.924 1.00 34.13 H new ATOM 0 HB2 LEU A 33 -10.465 -5.764 1.412 1.00 3.35 H new ATOM 0 HB3 LEU A 33 -9.011 -6.743 1.422 1.00 3.35 H new ATOM 0 HG LEU A 33 -9.490 -4.333 -0.365 1.00 2.02 H new ATOM 0 HD11 LEU A 33 -7.800 -3.218 1.048 1.00 60.12 H new ATOM 0 HD12 LEU A 33 -9.239 -3.691 1.983 1.00 60.12 H new ATOM 0 HD13 LEU A 33 -7.745 -4.651 2.102 1.00 60.12 H new ATOM 0 HD21 LEU A 33 -7.089 -4.535 -0.911 1.00 40.24 H new ATOM 0 HD22 LEU A 33 -7.002 -6.028 0.053 1.00 40.24 H new ATOM 0 HD23 LEU A 33 -8.007 -5.974 -1.415 1.00 40.24 H new ATOM 541 N LYS A 34 -10.612 -9.444 -0.035 1.00 31.30 N ATOM 542 CA LYS A 34 -11.364 -10.644 0.373 1.00 61.03 C ATOM 543 C LYS A 34 -10.502 -11.673 1.138 1.00 43.31 C ATOM 544 O LYS A 34 -10.960 -12.265 2.122 1.00 11.44 O ATOM 545 CB LYS A 34 -11.996 -11.294 -0.869 1.00 73.04 C ATOM 546 CG LYS A 34 -10.980 -11.686 -1.942 1.00 24.52 C ATOM 547 CD LYS A 34 -11.648 -12.135 -3.238 1.00 73.20 C ATOM 548 CE LYS A 34 -12.559 -13.341 -3.032 1.00 23.54 C ATOM 549 NZ LYS A 34 -13.142 -13.814 -4.314 1.00 71.54 N ATOM 0 H LYS A 34 -9.791 -9.636 -0.609 1.00 31.30 H new ATOM 0 HA LYS A 34 -12.139 -10.320 1.068 1.00 61.03 H new ATOM 0 HB2 LYS A 34 -12.548 -12.182 -0.562 1.00 73.04 H new ATOM 0 HB3 LYS A 34 -12.719 -10.603 -1.301 1.00 73.04 H new ATOM 0 HG2 LYS A 34 -10.327 -10.838 -2.148 1.00 24.52 H new ATOM 0 HG3 LYS A 34 -10.348 -12.490 -1.564 1.00 24.52 H new ATOM 0 HD2 LYS A 34 -12.229 -11.310 -3.650 1.00 73.20 H new ATOM 0 HD3 LYS A 34 -10.882 -12.383 -3.972 1.00 73.20 H new ATOM 0 HE2 LYS A 34 -11.993 -14.150 -2.569 1.00 23.54 H new ATOM 0 HE3 LYS A 34 -13.361 -13.078 -2.343 1.00 23.54 H new ATOM 0 HZ1 LYS A 34 -13.755 -14.635 -4.135 1.00 71.54 H new ATOM 0 HZ2 LYS A 34 -13.702 -13.050 -4.743 1.00 71.54 H new ATOM 0 HZ3 LYS A 34 -12.377 -14.089 -4.963 1.00 71.54 H new ATOM 563 N LYS A 35 -9.268 -11.899 0.684 1.00 21.32 N ATOM 564 CA LYS A 35 -8.380 -12.887 1.316 1.00 71.21 C ATOM 565 C LYS A 35 -7.153 -12.216 1.950 1.00 1.13 C ATOM 566 O LYS A 35 -6.750 -11.121 1.552 1.00 32.21 O ATOM 567 CB LYS A 35 -7.926 -13.941 0.293 1.00 33.05 C ATOM 568 CG LYS A 35 -7.082 -13.376 -0.846 1.00 73.54 C ATOM 569 CD LYS A 35 -6.595 -14.461 -1.806 1.00 72.25 C ATOM 570 CE LYS A 35 -7.751 -15.195 -2.477 1.00 62.25 C ATOM 571 NZ LYS A 35 -7.268 -16.222 -3.438 1.00 35.21 N ATOM 0 H LYS A 35 -8.858 -11.416 -0.115 1.00 21.32 H new ATOM 0 HA LYS A 35 -8.949 -13.377 2.106 1.00 71.21 H new ATOM 0 HB2 LYS A 35 -7.352 -14.711 0.810 1.00 33.05 H new ATOM 0 HB3 LYS A 35 -8.806 -14.428 -0.127 1.00 33.05 H new ATOM 0 HG2 LYS A 35 -7.668 -12.642 -1.399 1.00 73.54 H new ATOM 0 HG3 LYS A 35 -6.222 -12.850 -0.431 1.00 73.54 H new ATOM 0 HD2 LYS A 35 -5.960 -14.011 -2.569 1.00 72.25 H new ATOM 0 HD3 LYS A 35 -5.979 -15.177 -1.261 1.00 72.25 H new ATOM 0 HE2 LYS A 35 -8.370 -15.671 -1.716 1.00 62.25 H new ATOM 0 HE3 LYS A 35 -8.383 -14.477 -2.999 1.00 62.25 H new ATOM 0 HZ1 LYS A 35 -8.082 -16.700 -3.874 1.00 35.21 H new ATOM 0 HZ2 LYS A 35 -6.698 -15.764 -4.178 1.00 35.21 H new ATOM 0 HZ3 LYS A 35 -6.685 -16.921 -2.935 1.00 35.21 H new ATOM 585 N GLN A 36 -6.564 -12.885 2.938 1.00 55.04 N ATOM 586 CA GLN A 36 -5.395 -12.348 3.639 1.00 12.52 C ATOM 587 C GLN A 36 -4.194 -12.197 2.692 1.00 2.04 C ATOM 588 O GLN A 36 -3.517 -13.173 2.353 1.00 51.23 O ATOM 589 CB GLN A 36 -5.038 -13.233 4.841 1.00 43.33 C ATOM 590 CG GLN A 36 -3.850 -12.730 5.658 1.00 15.52 C ATOM 591 CD GLN A 36 -3.752 -13.397 7.020 1.00 21.30 C ATOM 592 OE1 GLN A 36 -4.161 -14.542 7.196 1.00 41.24 O ATOM 593 NE2 GLN A 36 -3.220 -12.690 7.996 1.00 31.44 N ATOM 0 H GLN A 36 -6.874 -13.797 3.272 1.00 55.04 H new ATOM 0 HA GLN A 36 -5.649 -11.354 4.006 1.00 12.52 H new ATOM 0 HB2 GLN A 36 -5.908 -13.308 5.494 1.00 43.33 H new ATOM 0 HB3 GLN A 36 -4.819 -14.240 4.485 1.00 43.33 H new ATOM 0 HG2 GLN A 36 -2.930 -12.910 5.102 1.00 15.52 H new ATOM 0 HG3 GLN A 36 -3.936 -11.652 5.791 1.00 15.52 H new ATOM 0 HE21 GLN A 36 -2.890 -11.742 7.817 1.00 31.44 H new ATOM 0 HE22 GLN A 36 -3.138 -13.091 8.930 1.00 31.44 H new ATOM 602 N GLY A 37 -3.954 -10.963 2.264 1.00 75.35 N ATOM 603 CA GLY A 37 -2.871 -10.670 1.340 1.00 4.44 C ATOM 604 C GLY A 37 -3.205 -9.527 0.392 1.00 64.43 C ATOM 605 O GLY A 37 -2.362 -8.672 0.124 1.00 12.13 O ATOM 0 H GLY A 37 -4.499 -10.148 2.545 1.00 75.35 H new ATOM 0 HA2 GLY A 37 -1.974 -10.418 1.905 1.00 4.44 H new ATOM 0 HA3 GLY A 37 -2.642 -11.564 0.760 1.00 4.44 H new ATOM 609 N ASP A 38 -4.450 -9.504 -0.098 1.00 2.41 N ATOM 610 CA ASP A 38 -4.892 -8.492 -1.068 1.00 72.03 C ATOM 611 C ASP A 38 -4.543 -7.067 -0.606 1.00 11.50 C ATOM 612 O ASP A 38 -4.820 -6.689 0.535 1.00 13.12 O ATOM 613 CB ASP A 38 -6.410 -8.586 -1.287 1.00 4.02 C ATOM 614 CG ASP A 38 -6.877 -9.943 -1.781 1.00 71.54 C ATOM 615 OD1 ASP A 38 -6.140 -10.599 -2.549 1.00 22.40 O ATOM 616 OD2 ASP A 38 -8.000 -10.353 -1.415 1.00 43.24 O ATOM 0 H ASP A 38 -5.172 -10.176 0.161 1.00 2.41 H new ATOM 0 HA ASP A 38 -4.367 -8.694 -2.001 1.00 72.03 H new ATOM 0 HB2 ASP A 38 -6.917 -8.357 -0.350 1.00 4.02 H new ATOM 0 HB3 ASP A 38 -6.711 -7.825 -2.007 1.00 4.02 H new ATOM 621 N PHE A 39 -3.945 -6.274 -1.497 1.00 5.21 N ATOM 622 CA PHE A 39 -3.612 -4.881 -1.180 1.00 62.05 C ATOM 623 C PHE A 39 -3.738 -3.964 -2.404 1.00 42.53 C ATOM 624 O PHE A 39 -3.539 -4.389 -3.546 1.00 53.25 O ATOM 625 CB PHE A 39 -2.192 -4.782 -0.592 1.00 52.23 C ATOM 626 CG PHE A 39 -1.085 -5.178 -1.540 1.00 24.42 C ATOM 627 CD1 PHE A 39 -0.718 -6.509 -1.689 1.00 12.54 C ATOM 628 CD2 PHE A 39 -0.400 -4.217 -2.274 1.00 53.54 C ATOM 629 CE1 PHE A 39 0.302 -6.869 -2.545 1.00 60.14 C ATOM 630 CE2 PHE A 39 0.619 -4.574 -3.133 1.00 21.54 C ATOM 631 CZ PHE A 39 0.972 -5.903 -3.269 1.00 34.54 C ATOM 0 H PHE A 39 -3.682 -6.568 -2.438 1.00 5.21 H new ATOM 0 HA PHE A 39 -4.333 -4.542 -0.436 1.00 62.05 H new ATOM 0 HB2 PHE A 39 -2.021 -3.757 -0.264 1.00 52.23 H new ATOM 0 HB3 PHE A 39 -2.136 -5.414 0.294 1.00 52.23 H new ATOM 0 HD1 PHE A 39 -1.238 -7.272 -1.128 1.00 12.54 H new ATOM 0 HD2 PHE A 39 -0.669 -3.176 -2.171 1.00 53.54 H new ATOM 0 HE1 PHE A 39 0.577 -7.908 -2.649 1.00 60.14 H new ATOM 0 HE2 PHE A 39 1.140 -3.816 -3.698 1.00 21.54 H new ATOM 0 HZ PHE A 39 1.770 -6.185 -3.940 1.00 34.54 H new ATOM 641 N LEU A 40 -4.084 -2.702 -2.151 1.00 12.32 N ATOM 642 CA LEU A 40 -4.156 -1.680 -3.201 1.00 33.12 C ATOM 643 C LEU A 40 -3.763 -0.297 -2.659 1.00 65.15 C ATOM 644 O LEU A 40 -3.860 -0.038 -1.459 1.00 24.41 O ATOM 645 CB LEU A 40 -5.575 -1.592 -3.794 1.00 44.34 C ATOM 646 CG LEU A 40 -6.652 -0.989 -2.865 1.00 42.55 C ATOM 647 CD1 LEU A 40 -7.832 -0.456 -3.673 1.00 13.54 C ATOM 648 CD2 LEU A 40 -7.133 -2.015 -1.840 1.00 13.35 C ATOM 0 H LEU A 40 -4.321 -2.359 -1.220 1.00 12.32 H new ATOM 0 HA LEU A 40 -3.454 -1.977 -3.980 1.00 33.12 H new ATOM 0 HB2 LEU A 40 -5.532 -0.995 -4.705 1.00 44.34 H new ATOM 0 HB3 LEU A 40 -5.891 -2.594 -4.084 1.00 44.34 H new ATOM 0 HG LEU A 40 -6.196 -0.157 -2.328 1.00 42.55 H new ATOM 0 HD11 LEU A 40 -8.577 -0.037 -2.996 1.00 13.54 H new ATOM 0 HD12 LEU A 40 -7.485 0.319 -4.356 1.00 13.54 H new ATOM 0 HD13 LEU A 40 -8.279 -1.270 -4.245 1.00 13.54 H new ATOM 0 HD21 LEU A 40 -7.890 -1.562 -1.200 1.00 13.35 H new ATOM 0 HD22 LEU A 40 -7.561 -2.873 -2.358 1.00 13.35 H new ATOM 0 HD23 LEU A 40 -6.291 -2.342 -1.230 1.00 13.35 H new ATOM 660 N VAL A 41 -3.325 0.590 -3.547 1.00 72.22 N ATOM 661 CA VAL A 41 -3.037 1.981 -3.181 1.00 44.34 C ATOM 662 C VAL A 41 -4.044 2.939 -3.838 1.00 54.30 C ATOM 663 O VAL A 41 -4.317 2.848 -5.039 1.00 3.02 O ATOM 664 CB VAL A 41 -1.594 2.384 -3.580 1.00 21.40 C ATOM 665 CG1 VAL A 41 -1.333 3.864 -3.288 1.00 40.34 C ATOM 666 CG2 VAL A 41 -0.577 1.503 -2.856 1.00 51.24 C ATOM 0 H VAL A 41 -3.160 0.373 -4.530 1.00 72.22 H new ATOM 0 HA VAL A 41 -3.129 2.057 -2.098 1.00 44.34 H new ATOM 0 HB VAL A 41 -1.484 2.232 -4.654 1.00 21.40 H new ATOM 0 HG11 VAL A 41 -0.313 4.118 -3.578 1.00 40.34 H new ATOM 0 HG12 VAL A 41 -2.034 4.476 -3.855 1.00 40.34 H new ATOM 0 HG13 VAL A 41 -1.465 4.053 -2.223 1.00 40.34 H new ATOM 0 HG21 VAL A 41 0.431 1.798 -3.146 1.00 51.24 H new ATOM 0 HG22 VAL A 41 -0.694 1.622 -1.779 1.00 51.24 H new ATOM 0 HG23 VAL A 41 -0.742 0.460 -3.126 1.00 51.24 H new ATOM 676 N ARG A 42 -4.608 3.848 -3.045 1.00 13.04 N ATOM 677 CA ARG A 42 -5.574 4.828 -3.557 1.00 72.24 C ATOM 678 C ARG A 42 -5.125 6.264 -3.242 1.00 70.51 C ATOM 679 O ARG A 42 -4.303 6.484 -2.351 1.00 45.40 O ATOM 680 CB ARG A 42 -6.966 4.578 -2.951 1.00 31.51 C ATOM 681 CG ARG A 42 -7.081 4.989 -1.486 1.00 52.45 C ATOM 682 CD ARG A 42 -8.512 4.866 -0.967 1.00 24.31 C ATOM 683 NE ARG A 42 -8.701 5.626 0.270 1.00 62.11 N ATOM 684 CZ ARG A 42 -9.286 6.797 0.333 1.00 1.31 C ATOM 685 NH1 ARG A 42 -9.804 7.337 -0.725 1.00 33.51 N ATOM 686 NH2 ARG A 42 -9.367 7.428 1.457 1.00 63.02 N ATOM 0 H ARG A 42 -4.416 3.929 -2.047 1.00 13.04 H new ATOM 0 HA ARG A 42 -5.626 4.709 -4.639 1.00 72.24 H new ATOM 0 HB2 ARG A 42 -7.709 5.125 -3.532 1.00 31.51 H new ATOM 0 HB3 ARG A 42 -7.207 3.519 -3.042 1.00 31.51 H new ATOM 0 HG2 ARG A 42 -6.422 4.366 -0.882 1.00 52.45 H new ATOM 0 HG3 ARG A 42 -6.741 6.018 -1.371 1.00 52.45 H new ATOM 0 HD2 ARG A 42 -9.207 5.225 -1.726 1.00 24.31 H new ATOM 0 HD3 ARG A 42 -8.747 3.816 -0.790 1.00 24.31 H new ATOM 0 HE ARG A 42 -8.355 5.218 1.138 1.00 62.11 H new ATOM 0 HH11 ARG A 42 -9.759 6.850 -1.620 1.00 33.51 H new ATOM 0 HH12 ARG A 42 -10.257 8.249 -0.663 1.00 33.51 H new ATOM 0 HH21 ARG A 42 -8.974 7.015 2.303 1.00 63.02 H new ATOM 0 HH22 ARG A 42 -9.824 8.339 1.499 1.00 63.02 H new ATOM 700 N GLU A 43 -5.676 7.235 -3.963 1.00 74.21 N ATOM 701 CA GLU A 43 -5.351 8.651 -3.737 1.00 50.32 C ATOM 702 C GLU A 43 -6.546 9.393 -3.109 1.00 21.01 C ATOM 703 O GLU A 43 -7.693 9.202 -3.516 1.00 43.43 O ATOM 704 CB GLU A 43 -4.949 9.314 -5.064 1.00 33.34 C ATOM 705 CG GLU A 43 -4.393 10.731 -4.917 1.00 21.24 C ATOM 706 CD GLU A 43 -4.147 11.404 -6.261 1.00 31.41 C ATOM 707 OE1 GLU A 43 -5.084 12.029 -6.799 1.00 2.13 O ATOM 708 OE2 GLU A 43 -3.019 11.305 -6.791 1.00 2.43 O ATOM 0 H GLU A 43 -6.351 7.074 -4.711 1.00 74.21 H new ATOM 0 HA GLU A 43 -4.513 8.708 -3.042 1.00 50.32 H new ATOM 0 HB2 GLU A 43 -4.201 8.692 -5.555 1.00 33.34 H new ATOM 0 HB3 GLU A 43 -5.819 9.344 -5.720 1.00 33.34 H new ATOM 0 HG2 GLU A 43 -5.091 11.333 -4.335 1.00 21.24 H new ATOM 0 HG3 GLU A 43 -3.459 10.695 -4.356 1.00 21.24 H new ATOM 715 N SER A 44 -6.277 10.231 -2.109 1.00 30.32 N ATOM 716 CA SER A 44 -7.335 11.002 -1.435 1.00 42.34 C ATOM 717 C SER A 44 -7.785 12.208 -2.272 1.00 53.42 C ATOM 718 O SER A 44 -6.993 12.798 -3.011 1.00 41.52 O ATOM 719 CB SER A 44 -6.868 11.493 -0.056 1.00 1.04 C ATOM 720 OG SER A 44 -7.839 12.345 0.541 1.00 44.53 O ATOM 0 H SER A 44 -5.339 10.397 -1.744 1.00 30.32 H new ATOM 0 HA SER A 44 -8.182 10.327 -1.313 1.00 42.34 H new ATOM 0 HB2 SER A 44 -6.681 10.638 0.594 1.00 1.04 H new ATOM 0 HB3 SER A 44 -5.924 12.028 -0.158 1.00 1.04 H new ATOM 0 HG SER A 44 -7.518 12.642 1.418 1.00 44.53 H new ATOM 726 N HIS A 45 -9.063 12.574 -2.148 1.00 52.40 N ATOM 727 CA HIS A 45 -9.607 13.747 -2.844 1.00 3.01 C ATOM 728 C HIS A 45 -9.530 14.999 -1.959 1.00 11.15 C ATOM 729 O HIS A 45 -9.245 16.096 -2.443 1.00 12.52 O ATOM 730 CB HIS A 45 -11.060 13.495 -3.267 1.00 10.22 C ATOM 731 CG HIS A 45 -11.216 12.467 -4.347 1.00 40.43 C ATOM 732 ND1 HIS A 45 -11.534 12.786 -5.650 1.00 25.41 N ATOM 733 CD2 HIS A 45 -11.130 11.118 -4.305 1.00 23.32 C ATOM 734 CE1 HIS A 45 -11.641 11.680 -6.360 1.00 34.51 C ATOM 735 NE2 HIS A 45 -11.402 10.653 -5.569 1.00 20.45 N ATOM 0 H HIS A 45 -9.742 12.076 -1.572 1.00 52.40 H new ATOM 0 HA HIS A 45 -9.002 13.917 -3.735 1.00 3.01 H new ATOM 0 HB2 HIS A 45 -11.631 13.178 -2.394 1.00 10.22 H new ATOM 0 HB3 HIS A 45 -11.495 14.434 -3.609 1.00 10.22 H new ATOM 0 HD2 HIS A 45 -10.892 10.518 -3.439 1.00 23.32 H new ATOM 0 HE1 HIS A 45 -11.883 11.625 -7.411 1.00 34.51 H new ATOM 0 HE2 HIS A 45 -11.417 9.672 -5.850 1.00 20.45 H new ATOM 744 N GLY A 46 -9.797 14.828 -0.666 1.00 32.35 N ATOM 745 CA GLY A 46 -9.689 15.935 0.275 1.00 74.31 C ATOM 746 C GLY A 46 -8.248 16.387 0.469 1.00 44.42 C ATOM 747 O GLY A 46 -7.970 17.585 0.587 1.00 53.14 O ATOM 0 H GLY A 46 -10.087 13.942 -0.251 1.00 32.35 H new ATOM 0 HA2 GLY A 46 -10.286 16.774 -0.083 1.00 74.31 H new ATOM 0 HA3 GLY A 46 -10.106 15.635 1.236 1.00 74.31 H new ATOM 751 N LYS A 47 -7.329 15.425 0.497 1.00 71.33 N ATOM 752 CA LYS A 47 -5.895 15.710 0.571 1.00 52.24 C ATOM 753 C LYS A 47 -5.211 15.334 -0.759 1.00 72.41 C ATOM 754 O LYS A 47 -4.729 14.209 -0.925 1.00 15.13 O ATOM 755 CB LYS A 47 -5.269 14.927 1.739 1.00 33.14 C ATOM 756 CG LYS A 47 -3.792 15.227 1.992 1.00 72.30 C ATOM 757 CD LYS A 47 -3.575 16.613 2.589 1.00 13.41 C ATOM 758 CE LYS A 47 -2.110 16.850 2.930 1.00 42.40 C ATOM 759 NZ LYS A 47 -1.904 18.152 3.611 1.00 43.24 N ATOM 0 H LYS A 47 -7.554 14.430 0.469 1.00 71.33 H new ATOM 0 HA LYS A 47 -5.749 16.776 0.745 1.00 52.24 H new ATOM 0 HB2 LYS A 47 -5.831 15.146 2.647 1.00 33.14 H new ATOM 0 HB3 LYS A 47 -5.381 13.860 1.544 1.00 33.14 H new ATOM 0 HG2 LYS A 47 -3.382 14.475 2.666 1.00 72.30 H new ATOM 0 HG3 LYS A 47 -3.242 15.148 1.054 1.00 72.30 H new ATOM 0 HD2 LYS A 47 -3.913 17.372 1.883 1.00 13.41 H new ATOM 0 HD3 LYS A 47 -4.181 16.722 3.488 1.00 13.41 H new ATOM 0 HE2 LYS A 47 -1.752 16.044 3.571 1.00 42.40 H new ATOM 0 HE3 LYS A 47 -1.515 16.820 2.017 1.00 42.40 H new ATOM 0 HZ1 LYS A 47 -0.894 18.275 3.826 1.00 43.24 H new ATOM 0 HZ2 LYS A 47 -2.222 18.923 2.990 1.00 43.24 H new ATOM 0 HZ3 LYS A 47 -2.451 18.172 4.495 1.00 43.24 H new ATOM 773 N PRO A 48 -5.187 16.261 -1.743 1.00 75.20 N ATOM 774 CA PRO A 48 -4.619 15.988 -3.076 1.00 21.51 C ATOM 775 C PRO A 48 -3.143 15.571 -3.018 1.00 50.34 C ATOM 776 O PRO A 48 -2.254 16.399 -2.788 1.00 43.20 O ATOM 777 CB PRO A 48 -4.785 17.321 -3.825 1.00 2.20 C ATOM 778 CG PRO A 48 -5.866 18.040 -3.088 1.00 5.11 C ATOM 779 CD PRO A 48 -5.711 17.635 -1.646 1.00 23.51 C ATOM 0 HA PRO A 48 -5.121 15.152 -3.563 1.00 21.51 H new ATOM 0 HB2 PRO A 48 -3.857 17.893 -3.824 1.00 2.20 H new ATOM 0 HB3 PRO A 48 -5.058 17.158 -4.868 1.00 2.20 H new ATOM 0 HG2 PRO A 48 -5.769 19.119 -3.205 1.00 5.11 H new ATOM 0 HG3 PRO A 48 -6.850 17.765 -3.469 1.00 5.11 H new ATOM 0 HD2 PRO A 48 -5.024 18.293 -1.114 1.00 23.51 H new ATOM 0 HD3 PRO A 48 -6.661 17.668 -1.113 1.00 23.51 H new ATOM 787 N GLY A 49 -2.886 14.279 -3.209 1.00 12.02 N ATOM 788 CA GLY A 49 -1.522 13.761 -3.145 1.00 1.34 C ATOM 789 C GLY A 49 -1.316 12.740 -2.026 1.00 33.32 C ATOM 790 O GLY A 49 -0.248 12.126 -1.933 1.00 31.31 O ATOM 0 H GLY A 49 -3.598 13.577 -3.408 1.00 12.02 H new ATOM 0 HA2 GLY A 49 -1.271 13.299 -4.100 1.00 1.34 H new ATOM 0 HA3 GLY A 49 -0.831 14.592 -3.001 1.00 1.34 H new ATOM 794 N GLU A 50 -2.325 12.558 -1.173 1.00 10.44 N ATOM 795 CA GLU A 50 -2.258 11.557 -0.100 1.00 43.21 C ATOM 796 C GLU A 50 -2.591 10.156 -0.625 1.00 52.14 C ATOM 797 O GLU A 50 -3.719 9.889 -1.045 1.00 52.54 O ATOM 798 CB GLU A 50 -3.218 11.920 1.046 1.00 23.14 C ATOM 799 CG GLU A 50 -3.212 10.920 2.201 1.00 30.25 C ATOM 800 CD GLU A 50 -4.173 11.295 3.320 1.00 54.54 C ATOM 801 OE1 GLU A 50 -3.878 12.257 4.061 1.00 1.04 O ATOM 802 OE2 GLU A 50 -5.226 10.634 3.466 1.00 12.13 O ATOM 0 H GLU A 50 -3.197 13.087 -1.201 1.00 10.44 H new ATOM 0 HA GLU A 50 -1.236 11.553 0.278 1.00 43.21 H new ATOM 0 HB2 GLU A 50 -2.953 12.905 1.430 1.00 23.14 H new ATOM 0 HB3 GLU A 50 -4.230 11.995 0.649 1.00 23.14 H new ATOM 0 HG2 GLU A 50 -3.474 9.933 1.820 1.00 30.25 H new ATOM 0 HG3 GLU A 50 -2.203 10.848 2.606 1.00 30.25 H new ATOM 809 N TYR A 51 -1.605 9.269 -0.611 1.00 22.42 N ATOM 810 CA TYR A 51 -1.806 7.887 -1.047 1.00 53.14 C ATOM 811 C TYR A 51 -1.954 6.946 0.153 1.00 54.03 C ATOM 812 O TYR A 51 -1.089 6.889 1.030 1.00 73.41 O ATOM 813 CB TYR A 51 -0.652 7.437 -1.945 1.00 11.23 C ATOM 814 CG TYR A 51 -0.588 8.194 -3.258 1.00 22.53 C ATOM 815 CD1 TYR A 51 0.059 9.417 -3.345 1.00 25.33 C ATOM 816 CD2 TYR A 51 -1.183 7.683 -4.405 1.00 43.41 C ATOM 817 CE1 TYR A 51 0.116 10.110 -4.535 1.00 13.43 C ATOM 818 CE2 TYR A 51 -1.128 8.374 -5.601 1.00 2.23 C ATOM 819 CZ TYR A 51 -0.478 9.585 -5.660 1.00 53.24 C ATOM 820 OH TYR A 51 -0.413 10.277 -6.850 1.00 63.34 O ATOM 0 H TYR A 51 -0.656 9.479 -0.303 1.00 22.42 H new ATOM 0 HA TYR A 51 -2.731 7.845 -1.622 1.00 53.14 H new ATOM 0 HB2 TYR A 51 0.289 7.569 -1.411 1.00 11.23 H new ATOM 0 HB3 TYR A 51 -0.755 6.372 -2.152 1.00 11.23 H new ATOM 0 HD1 TYR A 51 0.526 9.834 -2.465 1.00 25.33 H new ATOM 0 HD2 TYR A 51 -1.695 6.733 -4.362 1.00 43.41 H new ATOM 0 HE1 TYR A 51 0.625 11.061 -4.584 1.00 13.43 H new ATOM 0 HE2 TYR A 51 -1.593 7.965 -6.485 1.00 2.23 H new ATOM 0 HH TYR A 51 -1.274 10.712 -7.023 1.00 63.34 H new ATOM 830 N VAL A 52 -3.066 6.222 0.189 1.00 41.33 N ATOM 831 CA VAL A 52 -3.362 5.299 1.287 1.00 44.11 C ATOM 832 C VAL A 52 -3.302 3.837 0.818 1.00 60.14 C ATOM 833 O VAL A 52 -4.008 3.439 -0.116 1.00 73.24 O ATOM 834 CB VAL A 52 -4.765 5.578 1.888 1.00 10.33 C ATOM 835 CG1 VAL A 52 -5.047 4.652 3.072 1.00 1.23 C ATOM 836 CG2 VAL A 52 -4.896 7.047 2.298 1.00 3.24 C ATOM 0 H VAL A 52 -3.785 6.254 -0.534 1.00 41.33 H new ATOM 0 HA VAL A 52 -2.602 5.461 2.052 1.00 44.11 H new ATOM 0 HB VAL A 52 -5.510 5.373 1.119 1.00 10.33 H new ATOM 0 HG11 VAL A 52 -6.036 4.868 3.475 1.00 1.23 H new ATOM 0 HG12 VAL A 52 -5.009 3.615 2.740 1.00 1.23 H new ATOM 0 HG13 VAL A 52 -4.297 4.813 3.846 1.00 1.23 H new ATOM 0 HG21 VAL A 52 -5.887 7.221 2.717 1.00 3.24 H new ATOM 0 HG22 VAL A 52 -4.139 7.285 3.046 1.00 3.24 H new ATOM 0 HG23 VAL A 52 -4.755 7.683 1.424 1.00 3.24 H new ATOM 846 N LEU A 53 -2.462 3.040 1.475 1.00 24.43 N ATOM 847 CA LEU A 53 -2.356 1.608 1.184 1.00 21.20 C ATOM 848 C LEU A 53 -3.391 0.822 1.996 1.00 21.22 C ATOM 849 O LEU A 53 -3.542 1.030 3.196 1.00 71.45 O ATOM 850 CB LEU A 53 -0.939 1.105 1.506 1.00 22.23 C ATOM 851 CG LEU A 53 -0.720 -0.414 1.358 1.00 42.14 C ATOM 852 CD1 LEU A 53 -0.918 -0.860 -0.089 1.00 44.40 C ATOM 853 CD2 LEU A 53 0.666 -0.809 1.865 1.00 22.14 C ATOM 0 H LEU A 53 -1.841 3.362 2.217 1.00 24.43 H new ATOM 0 HA LEU A 53 -2.553 1.453 0.123 1.00 21.20 H new ATOM 0 HB2 LEU A 53 -0.233 1.621 0.855 1.00 22.23 H new ATOM 0 HB3 LEU A 53 -0.695 1.391 2.529 1.00 22.23 H new ATOM 0 HG LEU A 53 -1.466 -0.924 1.968 1.00 42.14 H new ATOM 0 HD11 LEU A 53 -0.757 -1.936 -0.163 1.00 44.40 H new ATOM 0 HD12 LEU A 53 -1.933 -0.622 -0.408 1.00 44.40 H new ATOM 0 HD13 LEU A 53 -0.205 -0.341 -0.730 1.00 44.40 H new ATOM 0 HD21 LEU A 53 0.802 -1.885 1.752 1.00 22.14 H new ATOM 0 HD22 LEU A 53 1.428 -0.285 1.288 1.00 22.14 H new ATOM 0 HD23 LEU A 53 0.759 -0.540 2.917 1.00 22.14 H new ATOM 865 N SER A 54 -4.112 -0.071 1.331 1.00 72.14 N ATOM 866 CA SER A 54 -5.143 -0.877 1.990 1.00 73.31 C ATOM 867 C SER A 54 -4.891 -2.369 1.772 1.00 35.50 C ATOM 868 O SER A 54 -5.126 -2.896 0.685 1.00 33.31 O ATOM 869 CB SER A 54 -6.535 -0.498 1.466 1.00 34.34 C ATOM 870 OG SER A 54 -6.802 0.886 1.672 1.00 22.02 O ATOM 0 H SER A 54 -4.005 -0.259 0.334 1.00 72.14 H new ATOM 0 HA SER A 54 -5.099 -0.672 3.060 1.00 73.31 H new ATOM 0 HB2 SER A 54 -6.602 -0.730 0.403 1.00 34.34 H new ATOM 0 HB3 SER A 54 -7.293 -1.097 1.972 1.00 34.34 H new ATOM 0 HG SER A 54 -6.852 1.070 2.633 1.00 22.02 H new ATOM 876 N VAL A 55 -4.397 -3.037 2.809 1.00 74.54 N ATOM 877 CA VAL A 55 -4.080 -4.469 2.741 1.00 4.33 C ATOM 878 C VAL A 55 -4.930 -5.285 3.735 1.00 4.33 C ATOM 879 O VAL A 55 -5.094 -4.909 4.896 1.00 5.44 O ATOM 880 CB VAL A 55 -2.570 -4.714 3.006 1.00 61.11 C ATOM 881 CG1 VAL A 55 -2.142 -4.089 4.333 1.00 35.21 C ATOM 882 CG2 VAL A 55 -2.238 -6.211 2.964 1.00 34.14 C ATOM 0 H VAL A 55 -4.204 -2.611 3.715 1.00 74.54 H new ATOM 0 HA VAL A 55 -4.320 -4.806 1.733 1.00 4.33 H new ATOM 0 HB VAL A 55 -2.005 -4.228 2.210 1.00 61.11 H new ATOM 0 HG11 VAL A 55 -1.080 -4.274 4.497 1.00 35.21 H new ATOM 0 HG12 VAL A 55 -2.323 -3.015 4.304 1.00 35.21 H new ATOM 0 HG13 VAL A 55 -2.717 -4.532 5.146 1.00 35.21 H new ATOM 0 HG21 VAL A 55 -1.174 -6.353 3.153 1.00 34.14 H new ATOM 0 HG22 VAL A 55 -2.815 -6.733 3.727 1.00 34.14 H new ATOM 0 HG23 VAL A 55 -2.489 -6.612 1.982 1.00 34.14 H new ATOM 892 N TYR A 56 -5.470 -6.405 3.266 1.00 74.45 N ATOM 893 CA TYR A 56 -6.326 -7.268 4.086 1.00 45.03 C ATOM 894 C TYR A 56 -5.502 -8.346 4.805 1.00 20.05 C ATOM 895 O TYR A 56 -4.960 -9.248 4.172 1.00 5.44 O ATOM 896 CB TYR A 56 -7.384 -7.926 3.194 1.00 74.41 C ATOM 897 CG TYR A 56 -8.435 -8.734 3.940 1.00 51.13 C ATOM 898 CD1 TYR A 56 -8.208 -10.063 4.282 1.00 51.22 C ATOM 899 CD2 TYR A 56 -9.659 -8.173 4.289 1.00 65.15 C ATOM 900 CE1 TYR A 56 -9.163 -10.805 4.945 1.00 55.24 C ATOM 901 CE2 TYR A 56 -10.623 -8.913 4.950 1.00 15.23 C ATOM 902 CZ TYR A 56 -10.369 -10.227 5.277 1.00 63.21 C ATOM 903 OH TYR A 56 -11.332 -10.970 5.923 1.00 22.41 O ATOM 0 H TYR A 56 -5.331 -6.742 2.314 1.00 74.45 H new ATOM 0 HA TYR A 56 -6.811 -6.655 4.846 1.00 45.03 H new ATOM 0 HB2 TYR A 56 -7.886 -7.150 2.616 1.00 74.41 H new ATOM 0 HB3 TYR A 56 -6.882 -8.580 2.481 1.00 74.41 H new ATOM 0 HD1 TYR A 56 -7.266 -10.523 4.023 1.00 51.22 H new ATOM 0 HD2 TYR A 56 -9.860 -7.142 4.040 1.00 65.15 H new ATOM 0 HE1 TYR A 56 -8.966 -11.835 5.203 1.00 55.24 H new ATOM 0 HE2 TYR A 56 -11.570 -8.463 5.208 1.00 15.23 H new ATOM 0 HH TYR A 56 -12.121 -10.412 6.085 1.00 22.41 H new ATOM 913 N SER A 57 -5.405 -8.245 6.126 1.00 33.30 N ATOM 914 CA SER A 57 -4.675 -9.242 6.923 1.00 33.22 C ATOM 915 C SER A 57 -5.320 -9.440 8.299 1.00 42.21 C ATOM 916 O SER A 57 -5.785 -8.478 8.919 1.00 62.55 O ATOM 917 CB SER A 57 -3.206 -8.837 7.095 1.00 62.54 C ATOM 918 OG SER A 57 -2.470 -9.844 7.776 1.00 31.21 O ATOM 0 H SER A 57 -5.818 -7.489 6.672 1.00 33.30 H new ATOM 0 HA SER A 57 -4.722 -10.186 6.380 1.00 33.22 H new ATOM 0 HB2 SER A 57 -2.760 -8.655 6.117 1.00 62.54 H new ATOM 0 HB3 SER A 57 -3.147 -7.901 7.651 1.00 62.54 H new ATOM 0 HG SER A 57 -1.537 -9.560 7.870 1.00 31.21 H new ATOM 924 N ASP A 58 -5.376 -10.694 8.756 1.00 43.11 N ATOM 925 CA ASP A 58 -5.911 -11.025 10.083 1.00 53.31 C ATOM 926 C ASP A 58 -7.402 -10.632 10.196 1.00 55.44 C ATOM 927 O ASP A 58 -7.894 -10.275 11.266 1.00 42.42 O ATOM 928 CB ASP A 58 -5.059 -10.333 11.162 1.00 15.43 C ATOM 929 CG ASP A 58 -5.341 -10.843 12.561 1.00 22.20 C ATOM 930 OD1 ASP A 58 -5.155 -12.053 12.809 1.00 41.52 O ATOM 931 OD2 ASP A 58 -5.739 -10.040 13.427 1.00 30.40 O ATOM 0 H ASP A 58 -5.055 -11.503 8.224 1.00 43.11 H new ATOM 0 HA ASP A 58 -5.857 -12.103 10.233 1.00 53.31 H new ATOM 0 HB2 ASP A 58 -4.004 -10.482 10.934 1.00 15.43 H new ATOM 0 HB3 ASP A 58 -5.244 -9.259 11.129 1.00 15.43 H new ATOM 936 N GLY A 59 -8.117 -10.715 9.075 1.00 64.25 N ATOM 937 CA GLY A 59 -9.549 -10.421 9.061 1.00 54.13 C ATOM 938 C GLY A 59 -9.880 -8.929 9.073 1.00 63.34 C ATOM 939 O GLY A 59 -11.043 -8.551 9.222 1.00 64.13 O ATOM 0 H GLY A 59 -7.731 -10.982 8.169 1.00 64.25 H new ATOM 0 HA2 GLY A 59 -9.993 -10.874 8.174 1.00 54.13 H new ATOM 0 HA3 GLY A 59 -10.014 -10.892 9.927 1.00 54.13 H new ATOM 943 N GLN A 60 -8.869 -8.076 8.921 1.00 24.41 N ATOM 944 CA GLN A 60 -9.079 -6.622 8.934 1.00 25.30 C ATOM 945 C GLN A 60 -8.476 -5.943 7.699 1.00 32.10 C ATOM 946 O GLN A 60 -7.492 -6.417 7.126 1.00 24.25 O ATOM 947 CB GLN A 60 -8.462 -6.001 10.198 1.00 72.21 C ATOM 948 CG GLN A 60 -9.113 -6.455 11.501 1.00 13.13 C ATOM 949 CD GLN A 60 -8.487 -5.800 12.722 1.00 22.35 C ATOM 950 OE1 GLN A 60 -7.546 -6.322 13.312 1.00 14.14 O ATOM 951 NE2 GLN A 60 -9.007 -4.658 13.116 1.00 61.41 N ATOM 0 H GLN A 60 -7.899 -8.361 8.788 1.00 24.41 H new ATOM 0 HA GLN A 60 -10.157 -6.458 8.925 1.00 25.30 H new ATOM 0 HB2 GLN A 60 -7.401 -6.249 10.230 1.00 72.21 H new ATOM 0 HB3 GLN A 60 -8.534 -4.916 10.128 1.00 72.21 H new ATOM 0 HG2 GLN A 60 -10.177 -6.221 11.473 1.00 13.13 H new ATOM 0 HG3 GLN A 60 -9.027 -7.538 11.589 1.00 13.13 H new ATOM 0 HE21 GLN A 60 -9.789 -4.250 12.604 1.00 61.41 H new ATOM 0 HE22 GLN A 60 -8.628 -4.180 13.934 1.00 61.41 H new ATOM 960 N ARG A 61 -9.077 -4.826 7.296 1.00 54.22 N ATOM 961 CA ARG A 61 -8.500 -3.973 6.256 1.00 62.11 C ATOM 962 C ARG A 61 -7.521 -2.963 6.875 1.00 42.51 C ATOM 963 O ARG A 61 -7.930 -1.959 7.461 1.00 73.55 O ATOM 964 CB ARG A 61 -9.598 -3.221 5.476 1.00 34.21 C ATOM 965 CG ARG A 61 -10.306 -4.045 4.403 1.00 74.43 C ATOM 966 CD ARG A 61 -11.286 -5.070 4.968 1.00 72.24 C ATOM 967 NE ARG A 61 -11.976 -5.796 3.894 1.00 31.40 N ATOM 968 CZ ARG A 61 -13.123 -6.410 4.022 1.00 32.42 C ATOM 969 NH1 ARG A 61 -13.724 -6.469 5.162 1.00 12.44 N ATOM 970 NH2 ARG A 61 -13.657 -6.996 2.998 1.00 55.23 N ATOM 0 H ARG A 61 -9.963 -4.489 7.673 1.00 54.22 H new ATOM 0 HA ARG A 61 -7.963 -4.617 5.560 1.00 62.11 H new ATOM 0 HB2 ARG A 61 -10.343 -2.858 6.185 1.00 34.21 H new ATOM 0 HB3 ARG A 61 -9.153 -2.345 5.005 1.00 34.21 H new ATOM 0 HG2 ARG A 61 -10.843 -3.372 3.735 1.00 74.43 H new ATOM 0 HG3 ARG A 61 -9.558 -4.562 3.802 1.00 74.43 H new ATOM 0 HD2 ARG A 61 -10.751 -5.777 5.602 1.00 72.24 H new ATOM 0 HD3 ARG A 61 -12.019 -4.567 5.599 1.00 72.24 H new ATOM 0 HE ARG A 61 -11.526 -5.823 2.979 1.00 31.40 H new ATOM 0 HH11 ARG A 61 -13.305 -6.032 5.983 1.00 12.44 H new ATOM 0 HH12 ARG A 61 -14.618 -6.953 5.243 1.00 12.44 H new ATOM 0 HH21 ARG A 61 -13.183 -6.978 2.095 1.00 55.23 H new ATOM 0 HH22 ARG A 61 -14.552 -7.476 3.094 1.00 55.23 H new ATOM 984 N ARG A 62 -6.228 -3.227 6.733 1.00 21.54 N ATOM 985 CA ARG A 62 -5.190 -2.347 7.273 1.00 4.22 C ATOM 986 C ARG A 62 -4.876 -1.196 6.310 1.00 3.04 C ATOM 987 O ARG A 62 -4.416 -1.416 5.188 1.00 51.53 O ATOM 988 CB ARG A 62 -3.921 -3.151 7.576 1.00 62.32 C ATOM 989 CG ARG A 62 -4.069 -4.090 8.769 1.00 74.22 C ATOM 990 CD ARG A 62 -4.295 -3.318 10.066 1.00 14.31 C ATOM 991 NE ARG A 62 -4.462 -4.207 11.214 1.00 13.14 N ATOM 992 CZ ARG A 62 -4.314 -3.840 12.456 1.00 31.24 C ATOM 993 NH1 ARG A 62 -3.963 -2.628 12.745 1.00 75.33 N ATOM 994 NH2 ARG A 62 -4.506 -4.693 13.408 1.00 74.55 N ATOM 0 H ARG A 62 -5.868 -4.048 6.246 1.00 21.54 H new ATOM 0 HA ARG A 62 -5.565 -1.912 8.199 1.00 4.22 H new ATOM 0 HB2 ARG A 62 -3.650 -3.734 6.696 1.00 62.32 H new ATOM 0 HB3 ARG A 62 -3.099 -2.461 7.766 1.00 62.32 H new ATOM 0 HG2 ARG A 62 -4.905 -4.768 8.598 1.00 74.22 H new ATOM 0 HG3 ARG A 62 -3.174 -4.705 8.862 1.00 74.22 H new ATOM 0 HD2 ARG A 62 -3.450 -2.653 10.243 1.00 14.31 H new ATOM 0 HD3 ARG A 62 -5.179 -2.689 9.964 1.00 14.31 H new ATOM 0 HE ARG A 62 -4.711 -5.179 11.031 1.00 13.14 H new ATOM 0 HH11 ARG A 62 -3.800 -1.952 11.998 1.00 75.33 H new ATOM 0 HH12 ARG A 62 -3.849 -2.349 13.719 1.00 75.33 H new ATOM 0 HH21 ARG A 62 -4.773 -5.652 13.187 1.00 74.55 H new ATOM 0 HH22 ARG A 62 -4.390 -4.407 14.380 1.00 74.55 H new ATOM 1008 N HIS A 63 -5.136 0.031 6.755 1.00 2.30 N ATOM 1009 CA HIS A 63 -4.910 1.222 5.932 1.00 33.41 C ATOM 1010 C HIS A 63 -3.709 2.030 6.444 1.00 4.13 C ATOM 1011 O HIS A 63 -3.714 2.516 7.576 1.00 22.13 O ATOM 1012 CB HIS A 63 -6.167 2.102 5.922 1.00 4.31 C ATOM 1013 CG HIS A 63 -7.405 1.357 5.525 1.00 40.02 C ATOM 1014 ND1 HIS A 63 -7.748 1.111 4.212 1.00 4.14 N ATOM 1015 CD2 HIS A 63 -8.384 0.797 6.273 1.00 73.10 C ATOM 1016 CE1 HIS A 63 -8.881 0.441 4.171 1.00 55.11 C ATOM 1017 NE2 HIS A 63 -9.285 0.235 5.405 1.00 30.14 N ATOM 0 H HIS A 63 -5.505 0.229 7.685 1.00 2.30 H new ATOM 0 HA HIS A 63 -4.691 0.894 4.916 1.00 33.41 H new ATOM 0 HB2 HIS A 63 -6.311 2.530 6.914 1.00 4.31 H new ATOM 0 HB3 HIS A 63 -6.015 2.934 5.234 1.00 4.31 H new ATOM 0 HD2 HIS A 63 -8.444 0.793 7.351 1.00 73.10 H new ATOM 0 HE1 HIS A 63 -9.391 0.116 3.276 1.00 55.11 H new ATOM 0 HE2 HIS A 63 -10.133 -0.263 5.674 1.00 30.14 H new ATOM 1026 N PHE A 64 -2.686 2.166 5.605 1.00 32.32 N ATOM 1027 CA PHE A 64 -1.473 2.909 5.965 1.00 21.14 C ATOM 1028 C PHE A 64 -1.289 4.131 5.057 1.00 23.31 C ATOM 1029 O PHE A 64 -1.263 4.007 3.834 1.00 44.43 O ATOM 1030 CB PHE A 64 -0.243 1.994 5.857 1.00 44.45 C ATOM 1031 CG PHE A 64 -0.385 0.696 6.610 1.00 61.52 C ATOM 1032 CD1 PHE A 64 -0.489 0.691 7.994 1.00 2.31 C ATOM 1033 CD2 PHE A 64 -0.422 -0.516 5.935 1.00 31.42 C ATOM 1034 CE1 PHE A 64 -0.624 -0.496 8.685 1.00 52.00 C ATOM 1035 CE2 PHE A 64 -0.556 -1.705 6.624 1.00 5.52 C ATOM 1036 CZ PHE A 64 -0.656 -1.695 8.001 1.00 64.42 C ATOM 0 H PHE A 64 -2.669 1.770 4.665 1.00 32.32 H new ATOM 0 HA PHE A 64 -1.579 3.254 6.993 1.00 21.14 H new ATOM 0 HB2 PHE A 64 -0.055 1.775 4.806 1.00 44.45 H new ATOM 0 HB3 PHE A 64 0.630 2.528 6.232 1.00 44.45 H new ATOM 0 HD1 PHE A 64 -0.464 1.625 8.535 1.00 2.31 H new ATOM 0 HD2 PHE A 64 -0.345 -0.529 4.858 1.00 31.42 H new ATOM 0 HE1 PHE A 64 -0.705 -0.487 9.762 1.00 52.00 H new ATOM 0 HE2 PHE A 64 -0.583 -2.641 6.087 1.00 5.52 H new ATOM 0 HZ PHE A 64 -0.759 -2.624 8.542 1.00 64.42 H new ATOM 1046 N ILE A 65 -1.167 5.311 5.660 1.00 31.14 N ATOM 1047 CA ILE A 65 -0.949 6.549 4.906 1.00 30.52 C ATOM 1048 C ILE A 65 0.549 6.770 4.641 1.00 74.41 C ATOM 1049 O ILE A 65 1.376 6.576 5.532 1.00 3.02 O ATOM 1050 CB ILE A 65 -1.531 7.774 5.661 1.00 0.42 C ATOM 1051 CG1 ILE A 65 -3.045 7.595 5.886 1.00 12.41 C ATOM 1052 CG2 ILE A 65 -1.244 9.072 4.900 1.00 73.53 C ATOM 1053 CD1 ILE A 65 -3.701 8.744 6.626 1.00 64.22 C ATOM 0 H ILE A 65 -1.215 5.439 6.671 1.00 31.14 H new ATOM 0 HA ILE A 65 -1.468 6.447 3.953 1.00 30.52 H new ATOM 0 HB ILE A 65 -1.043 7.841 6.633 1.00 0.42 H new ATOM 0 HG12 ILE A 65 -3.533 7.474 4.919 1.00 12.41 H new ATOM 0 HG13 ILE A 65 -3.212 6.674 6.445 1.00 12.41 H new ATOM 0 HG21 ILE A 65 -1.662 9.916 5.449 1.00 73.53 H new ATOM 0 HG22 ILE A 65 -0.167 9.203 4.798 1.00 73.53 H new ATOM 0 HG23 ILE A 65 -1.699 9.022 3.911 1.00 73.53 H new ATOM 0 HD11 ILE A 65 -4.765 8.541 6.744 1.00 64.22 H new ATOM 0 HD12 ILE A 65 -3.242 8.853 7.608 1.00 64.22 H new ATOM 0 HD13 ILE A 65 -3.568 9.665 6.059 1.00 64.22 H new ATOM 1065 N ILE A 66 0.890 7.157 3.415 1.00 61.13 N ATOM 1066 CA ILE A 66 2.289 7.394 3.032 1.00 4.30 C ATOM 1067 C ILE A 66 2.752 8.811 3.419 1.00 33.13 C ATOM 1068 O ILE A 66 2.243 9.805 2.894 1.00 75.24 O ATOM 1069 CB ILE A 66 2.491 7.201 1.506 1.00 12.43 C ATOM 1070 CG1 ILE A 66 2.012 5.806 1.069 1.00 14.53 C ATOM 1071 CG2 ILE A 66 3.957 7.409 1.130 1.00 50.23 C ATOM 1072 CD1 ILE A 66 2.153 5.541 -0.418 1.00 42.54 C ATOM 0 H ILE A 66 0.218 7.315 2.664 1.00 61.13 H new ATOM 0 HA ILE A 66 2.889 6.664 3.575 1.00 4.30 H new ATOM 0 HB ILE A 66 1.893 7.947 0.983 1.00 12.43 H new ATOM 0 HG12 ILE A 66 2.577 5.052 1.617 1.00 14.53 H new ATOM 0 HG13 ILE A 66 0.966 5.688 1.351 1.00 14.53 H new ATOM 0 HG21 ILE A 66 4.080 7.270 0.056 1.00 50.23 H new ATOM 0 HG22 ILE A 66 4.263 8.419 1.402 1.00 50.23 H new ATOM 0 HG23 ILE A 66 4.575 6.687 1.663 1.00 50.23 H new ATOM 0 HD11 ILE A 66 1.794 4.537 -0.644 1.00 42.54 H new ATOM 0 HD12 ILE A 66 1.565 6.271 -0.975 1.00 42.54 H new ATOM 0 HD13 ILE A 66 3.201 5.624 -0.705 1.00 42.54 H new ATOM 1084 N GLN A 67 3.720 8.900 4.333 1.00 33.52 N ATOM 1085 CA GLN A 67 4.293 10.194 4.727 1.00 62.33 C ATOM 1086 C GLN A 67 5.408 10.625 3.761 1.00 33.14 C ATOM 1087 O GLN A 67 6.200 9.803 3.294 1.00 0.01 O ATOM 1088 CB GLN A 67 4.843 10.147 6.166 1.00 44.14 C ATOM 1089 CG GLN A 67 3.780 9.917 7.240 1.00 15.52 C ATOM 1090 CD GLN A 67 3.266 8.486 7.270 1.00 11.43 C ATOM 1091 OE1 GLN A 67 3.996 7.546 6.976 1.00 72.41 O ATOM 1092 NE2 GLN A 67 2.011 8.307 7.620 1.00 75.42 N ATOM 0 H GLN A 67 4.124 8.097 4.814 1.00 33.52 H new ATOM 0 HA GLN A 67 3.488 10.928 4.684 1.00 62.33 H new ATOM 0 HB2 GLN A 67 5.587 9.353 6.232 1.00 44.14 H new ATOM 0 HB3 GLN A 67 5.358 11.084 6.376 1.00 44.14 H new ATOM 0 HG2 GLN A 67 4.197 10.168 8.215 1.00 15.52 H new ATOM 0 HG3 GLN A 67 2.944 10.594 7.067 1.00 15.52 H new ATOM 0 HE21 GLN A 67 1.429 9.110 7.859 1.00 75.42 H new ATOM 0 HE22 GLN A 67 1.620 7.366 7.652 1.00 75.42 H new ATOM 1101 N TYR A 68 5.463 11.922 3.472 1.00 64.34 N ATOM 1102 CA TYR A 68 6.468 12.482 2.561 1.00 24.40 C ATOM 1103 C TYR A 68 7.605 13.148 3.360 1.00 24.35 C ATOM 1104 O TYR A 68 7.456 14.267 3.853 1.00 52.23 O ATOM 1105 CB TYR A 68 5.783 13.492 1.624 1.00 72.02 C ATOM 1106 CG TYR A 68 6.651 14.011 0.488 1.00 71.12 C ATOM 1107 CD1 TYR A 68 7.113 13.155 -0.508 1.00 40.53 C ATOM 1108 CD2 TYR A 68 6.985 15.360 0.399 1.00 53.13 C ATOM 1109 CE1 TYR A 68 7.879 13.629 -1.558 1.00 73.41 C ATOM 1110 CE2 TYR A 68 7.752 15.838 -0.646 1.00 44.22 C ATOM 1111 CZ TYR A 68 8.197 14.970 -1.622 1.00 45.40 C ATOM 1112 OH TYR A 68 8.957 15.445 -2.671 1.00 1.44 O ATOM 0 H TYR A 68 4.820 12.613 3.857 1.00 64.34 H new ATOM 0 HA TYR A 68 6.910 11.685 1.963 1.00 24.40 H new ATOM 0 HB2 TYR A 68 4.896 13.024 1.198 1.00 72.02 H new ATOM 0 HB3 TYR A 68 5.442 14.341 2.217 1.00 72.02 H new ATOM 0 HD1 TYR A 68 6.869 12.104 -0.460 1.00 40.53 H new ATOM 0 HD2 TYR A 68 6.639 16.044 1.160 1.00 53.13 H new ATOM 0 HE1 TYR A 68 8.227 12.952 -2.324 1.00 73.41 H new ATOM 0 HE2 TYR A 68 8.002 16.887 -0.699 1.00 44.22 H new ATOM 0 HH TYR A 68 9.780 15.847 -2.323 1.00 1.44 H new ATOM 1122 N VAL A 69 8.729 12.441 3.517 1.00 34.34 N ATOM 1123 CA VAL A 69 9.862 12.940 4.317 1.00 42.44 C ATOM 1124 C VAL A 69 11.177 12.908 3.518 1.00 54.11 C ATOM 1125 O VAL A 69 11.547 11.874 2.959 1.00 61.13 O ATOM 1126 CB VAL A 69 10.037 12.112 5.618 1.00 14.02 C ATOM 1127 CG1 VAL A 69 11.217 12.626 6.447 1.00 11.22 C ATOM 1128 CG2 VAL A 69 8.749 12.121 6.443 1.00 41.34 C ATOM 0 H VAL A 69 8.882 11.522 3.103 1.00 34.34 H new ATOM 0 HA VAL A 69 9.632 13.974 4.576 1.00 42.44 H new ATOM 0 HB VAL A 69 10.254 11.083 5.333 1.00 14.02 H new ATOM 0 HG11 VAL A 69 11.314 12.026 7.352 1.00 11.22 H new ATOM 0 HG12 VAL A 69 12.133 12.551 5.861 1.00 11.22 H new ATOM 0 HG13 VAL A 69 11.045 13.667 6.719 1.00 11.22 H new ATOM 0 HG21 VAL A 69 8.894 11.535 7.350 1.00 41.34 H new ATOM 0 HG22 VAL A 69 8.495 13.147 6.710 1.00 41.34 H new ATOM 0 HG23 VAL A 69 7.938 11.688 5.857 1.00 41.34 H new ATOM 1138 N ASP A 70 11.878 14.047 3.479 1.00 70.44 N ATOM 1139 CA ASP A 70 13.127 14.189 2.710 1.00 24.44 C ATOM 1140 C ASP A 70 12.925 13.828 1.229 1.00 52.11 C ATOM 1141 O ASP A 70 13.817 13.277 0.582 1.00 33.22 O ATOM 1142 CB ASP A 70 14.243 13.331 3.324 1.00 65.25 C ATOM 1143 CG ASP A 70 14.661 13.817 4.702 1.00 24.11 C ATOM 1144 OD1 ASP A 70 14.788 15.045 4.897 1.00 50.33 O ATOM 1145 OD2 ASP A 70 14.899 12.975 5.591 1.00 32.31 O ATOM 0 H ASP A 70 11.600 14.894 3.975 1.00 70.44 H new ATOM 0 HA ASP A 70 13.424 15.237 2.759 1.00 24.44 H new ATOM 0 HB2 ASP A 70 13.905 12.297 3.394 1.00 65.25 H new ATOM 0 HB3 ASP A 70 15.109 13.339 2.662 1.00 65.25 H new ATOM 1150 N ASN A 71 11.747 14.168 0.701 1.00 41.52 N ATOM 1151 CA ASN A 71 11.377 13.857 -0.688 1.00 40.53 C ATOM 1152 C ASN A 71 11.240 12.346 -0.924 1.00 43.44 C ATOM 1153 O ASN A 71 11.152 11.891 -2.067 1.00 23.14 O ATOM 1154 CB ASN A 71 12.386 14.464 -1.671 1.00 70.44 C ATOM 1155 CG ASN A 71 12.441 15.978 -1.582 1.00 30.01 C ATOM 1156 OD1 ASN A 71 11.458 16.634 -1.244 1.00 53.51 O ATOM 1157 ND2 ASN A 71 13.587 16.547 -1.882 1.00 60.34 N ATOM 0 H ASN A 71 11.023 14.665 1.219 1.00 41.52 H new ATOM 0 HA ASN A 71 10.400 14.306 -0.867 1.00 40.53 H new ATOM 0 HB2 ASN A 71 13.376 14.055 -1.470 1.00 70.44 H new ATOM 0 HB3 ASN A 71 12.120 14.172 -2.687 1.00 70.44 H new ATOM 0 HD21 ASN A 71 13.680 17.562 -1.838 1.00 60.34 H new ATOM 0 HD22 ASN A 71 14.384 15.974 -2.159 1.00 60.34 H new ATOM 1164 N MET A 72 11.206 11.574 0.159 1.00 3.44 N ATOM 1165 CA MET A 72 11.043 10.122 0.073 1.00 34.04 C ATOM 1166 C MET A 72 9.719 9.673 0.716 1.00 64.44 C ATOM 1167 O MET A 72 9.315 10.184 1.762 1.00 33.33 O ATOM 1168 CB MET A 72 12.226 9.408 0.747 1.00 14.31 C ATOM 1169 CG MET A 72 13.581 9.733 0.123 1.00 43.41 C ATOM 1170 SD MET A 72 14.935 8.802 0.873 1.00 43.34 S ATOM 1171 CE MET A 72 16.337 9.422 -0.055 1.00 54.33 C ATOM 0 H MET A 72 11.289 11.930 1.111 1.00 3.44 H new ATOM 0 HA MET A 72 11.019 9.850 -0.982 1.00 34.04 H new ATOM 0 HB2 MET A 72 12.248 9.680 1.802 1.00 14.31 H new ATOM 0 HB3 MET A 72 12.063 8.331 0.698 1.00 14.31 H new ATOM 0 HG2 MET A 72 13.546 9.518 -0.945 1.00 43.41 H new ATOM 0 HG3 MET A 72 13.778 10.800 0.227 1.00 43.41 H new ATOM 0 HE1 MET A 72 17.248 8.938 0.296 1.00 54.33 H new ATOM 0 HE2 MET A 72 16.196 9.206 -1.114 1.00 54.33 H new ATOM 0 HE3 MET A 72 16.420 10.499 0.088 1.00 54.33 H new ATOM 1181 N TYR A 73 9.052 8.723 0.073 1.00 64.42 N ATOM 1182 CA TYR A 73 7.775 8.190 0.558 1.00 21.33 C ATOM 1183 C TYR A 73 8.001 7.051 1.563 1.00 33.12 C ATOM 1184 O TYR A 73 8.663 6.061 1.248 1.00 52.35 O ATOM 1185 CB TYR A 73 6.948 7.687 -0.632 1.00 5.31 C ATOM 1186 CG TYR A 73 6.677 8.759 -1.673 1.00 42.45 C ATOM 1187 CD1 TYR A 73 5.611 9.644 -1.526 1.00 54.12 C ATOM 1188 CD2 TYR A 73 7.490 8.892 -2.796 1.00 24.10 C ATOM 1189 CE1 TYR A 73 5.363 10.625 -2.465 1.00 71.50 C ATOM 1190 CE2 TYR A 73 7.246 9.875 -3.740 1.00 73.22 C ATOM 1191 CZ TYR A 73 6.182 10.737 -3.568 1.00 71.03 C ATOM 1192 OH TYR A 73 5.934 11.716 -4.504 1.00 13.02 O ATOM 0 H TYR A 73 9.375 8.298 -0.796 1.00 64.42 H new ATOM 0 HA TYR A 73 7.234 8.987 1.068 1.00 21.33 H new ATOM 0 HB2 TYR A 73 7.472 6.856 -1.104 1.00 5.31 H new ATOM 0 HB3 TYR A 73 5.998 7.298 -0.266 1.00 5.31 H new ATOM 0 HD1 TYR A 73 4.968 9.561 -0.663 1.00 54.12 H new ATOM 0 HD2 TYR A 73 8.323 8.218 -2.932 1.00 24.10 H new ATOM 0 HE1 TYR A 73 4.531 11.302 -2.336 1.00 71.50 H new ATOM 0 HE2 TYR A 73 7.885 9.967 -4.606 1.00 73.22 H new ATOM 0 HH TYR A 73 6.602 11.662 -5.219 1.00 13.02 H new ATOM 1202 N ARG A 74 7.441 7.188 2.765 1.00 20.23 N ATOM 1203 CA ARG A 74 7.670 6.219 3.849 1.00 5.32 C ATOM 1204 C ARG A 74 6.383 5.894 4.629 1.00 42.45 C ATOM 1205 O ARG A 74 5.532 6.758 4.823 1.00 4.45 O ATOM 1206 CB ARG A 74 8.735 6.768 4.812 1.00 74.13 C ATOM 1207 CG ARG A 74 8.508 8.227 5.232 1.00 62.02 C ATOM 1208 CD ARG A 74 8.431 8.391 6.747 1.00 22.13 C ATOM 1209 NE ARG A 74 7.192 7.845 7.305 1.00 71.05 N ATOM 1210 CZ ARG A 74 6.940 7.772 8.583 1.00 74.05 C ATOM 1211 NH1 ARG A 74 7.812 8.163 9.456 1.00 71.34 N ATOM 1212 NH2 ARG A 74 5.809 7.302 8.989 1.00 32.44 N ATOM 0 H ARG A 74 6.824 7.960 3.018 1.00 20.23 H new ATOM 0 HA ARG A 74 8.014 5.291 3.392 1.00 5.32 H new ATOM 0 HB2 ARG A 74 8.758 6.144 5.705 1.00 74.13 H new ATOM 0 HB3 ARG A 74 9.714 6.685 4.340 1.00 74.13 H new ATOM 0 HG2 ARG A 74 9.318 8.844 4.843 1.00 62.02 H new ATOM 0 HG3 ARG A 74 7.585 8.592 4.782 1.00 62.02 H new ATOM 0 HD2 ARG A 74 9.284 7.893 7.208 1.00 22.13 H new ATOM 0 HD3 ARG A 74 8.505 9.449 7.000 1.00 22.13 H new ATOM 0 HE ARG A 74 6.484 7.501 6.656 1.00 71.05 H new ATOM 0 HH11 ARG A 74 8.711 8.534 9.148 1.00 71.34 H new ATOM 0 HH12 ARG A 74 7.600 8.100 10.452 1.00 71.34 H new ATOM 0 HH21 ARG A 74 5.114 6.988 8.311 1.00 32.44 H new ATOM 0 HH22 ARG A 74 5.610 7.244 9.988 1.00 32.44 H new ATOM 1226 N PHE A 75 6.266 4.643 5.088 1.00 25.33 N ATOM 1227 CA PHE A 75 5.116 4.202 5.899 1.00 62.43 C ATOM 1228 C PHE A 75 5.418 4.277 7.407 1.00 2.41 C ATOM 1229 O PHE A 75 4.850 5.095 8.127 1.00 64.22 O ATOM 1230 CB PHE A 75 4.717 2.760 5.545 1.00 15.20 C ATOM 1231 CG PHE A 75 4.038 2.608 4.211 1.00 13.43 C ATOM 1232 CD1 PHE A 75 2.722 3.014 4.043 1.00 61.00 C ATOM 1233 CD2 PHE A 75 4.701 2.035 3.135 1.00 34.52 C ATOM 1234 CE1 PHE A 75 2.084 2.858 2.830 1.00 53.42 C ATOM 1235 CE2 PHE A 75 4.065 1.878 1.919 1.00 5.14 C ATOM 1236 CZ PHE A 75 2.758 2.290 1.766 1.00 42.44 C ATOM 0 H PHE A 75 6.955 3.912 4.913 1.00 25.33 H new ATOM 0 HA PHE A 75 4.293 4.880 5.670 1.00 62.43 H new ATOM 0 HB2 PHE A 75 5.611 2.136 5.556 1.00 15.20 H new ATOM 0 HB3 PHE A 75 4.053 2.380 6.321 1.00 15.20 H new ATOM 0 HD1 PHE A 75 2.191 3.458 4.872 1.00 61.00 H new ATOM 0 HD2 PHE A 75 5.724 1.709 3.249 1.00 34.52 H new ATOM 0 HE1 PHE A 75 1.060 3.179 2.712 1.00 53.42 H new ATOM 0 HE2 PHE A 75 4.591 1.432 1.088 1.00 5.14 H new ATOM 0 HZ PHE A 75 2.261 2.169 0.815 1.00 42.44 H new ATOM 1246 N GLU A 76 6.302 3.398 7.878 1.00 2.14 N ATOM 1247 CA GLU A 76 6.668 3.340 9.299 1.00 42.12 C ATOM 1248 C GLU A 76 7.802 4.326 9.621 1.00 63.31 C ATOM 1249 O GLU A 76 7.617 5.288 10.370 1.00 72.10 O ATOM 1250 CB GLU A 76 7.097 1.911 9.672 1.00 60.43 C ATOM 1251 CG GLU A 76 7.374 1.709 11.162 1.00 23.30 C ATOM 1252 CD GLU A 76 6.115 1.798 12.009 1.00 1.34 C ATOM 1253 OE1 GLU A 76 5.702 2.922 12.365 1.00 53.21 O ATOM 1254 OE2 GLU A 76 5.531 0.738 12.318 1.00 74.14 O ATOM 0 H GLU A 76 6.782 2.712 7.296 1.00 2.14 H new ATOM 0 HA GLU A 76 5.794 3.622 9.886 1.00 42.12 H new ATOM 0 HB2 GLU A 76 6.316 1.217 9.362 1.00 60.43 H new ATOM 0 HB3 GLU A 76 7.994 1.654 9.109 1.00 60.43 H new ATOM 0 HG2 GLU A 76 7.840 0.735 11.312 1.00 23.30 H new ATOM 0 HG3 GLU A 76 8.088 2.460 11.500 1.00 23.30 H new ATOM 1261 N GLY A 77 8.978 4.066 9.059 1.00 40.25 N ATOM 1262 CA GLY A 77 10.119 4.962 9.220 1.00 74.02 C ATOM 1263 C GLY A 77 10.994 5.018 7.973 1.00 31.21 C ATOM 1264 O GLY A 77 11.425 6.091 7.550 1.00 55.43 O ATOM 0 H GLY A 77 9.166 3.242 8.488 1.00 40.25 H new ATOM 0 HA2 GLY A 77 9.760 5.964 9.454 1.00 74.02 H new ATOM 0 HA3 GLY A 77 10.720 4.632 10.068 1.00 74.02 H new ATOM 1268 N THR A 78 11.259 3.852 7.387 1.00 73.24 N ATOM 1269 CA THR A 78 12.039 3.760 6.142 1.00 2.00 C ATOM 1270 C THR A 78 11.172 4.051 4.906 1.00 42.53 C ATOM 1271 O THR A 78 9.972 3.756 4.889 1.00 52.51 O ATOM 1272 CB THR A 78 12.689 2.361 5.981 1.00 42.31 C ATOM 1273 OG1 THR A 78 13.382 2.273 4.724 1.00 40.03 O ATOM 1274 CG2 THR A 78 11.644 1.253 6.064 1.00 1.23 C ATOM 0 H THR A 78 10.946 2.952 7.751 1.00 73.24 H new ATOM 0 HA THR A 78 12.822 4.515 6.214 1.00 2.00 H new ATOM 0 HB THR A 78 13.399 2.230 6.798 1.00 42.31 H new ATOM 0 HG1 THR A 78 13.789 1.386 4.636 1.00 40.03 H new ATOM 0 HG21 THR A 78 12.130 0.285 5.948 1.00 1.23 H new ATOM 0 HG22 THR A 78 11.146 1.295 7.033 1.00 1.23 H new ATOM 0 HG23 THR A 78 10.908 1.387 5.271 1.00 1.23 H new ATOM 1282 N GLY A 79 11.787 4.627 3.875 1.00 25.25 N ATOM 1283 CA GLY A 79 11.057 4.978 2.660 1.00 30.24 C ATOM 1284 C GLY A 79 11.941 5.071 1.419 1.00 22.32 C ATOM 1285 O GLY A 79 13.165 4.969 1.504 1.00 61.02 O ATOM 0 H GLY A 79 12.780 4.859 3.856 1.00 25.25 H new ATOM 0 HA2 GLY A 79 10.279 4.234 2.486 1.00 30.24 H new ATOM 0 HA3 GLY A 79 10.556 5.934 2.811 1.00 30.24 H new ATOM 1289 N PHE A 80 11.314 5.274 0.261 1.00 42.14 N ATOM 1290 CA PHE A 80 12.032 5.334 -1.023 1.00 3.24 C ATOM 1291 C PHE A 80 11.669 6.594 -1.823 1.00 52.22 C ATOM 1292 O PHE A 80 10.658 7.240 -1.567 1.00 23.44 O ATOM 1293 CB PHE A 80 11.733 4.081 -1.861 1.00 44.10 C ATOM 1294 CG PHE A 80 12.389 2.828 -1.333 1.00 25.44 C ATOM 1295 CD1 PHE A 80 11.849 2.143 -0.253 1.00 53.42 C ATOM 1296 CD2 PHE A 80 13.550 2.342 -1.915 1.00 41.24 C ATOM 1297 CE1 PHE A 80 12.454 1.003 0.237 1.00 22.12 C ATOM 1298 CE2 PHE A 80 14.158 1.200 -1.429 1.00 44.13 C ATOM 1299 CZ PHE A 80 13.610 0.531 -0.351 1.00 44.14 C ATOM 0 H PHE A 80 10.305 5.401 0.180 1.00 42.14 H new ATOM 0 HA PHE A 80 13.098 5.376 -0.798 1.00 3.24 H new ATOM 0 HB2 PHE A 80 10.654 3.928 -1.898 1.00 44.10 H new ATOM 0 HB3 PHE A 80 12.066 4.251 -2.885 1.00 44.10 H new ATOM 0 HD1 PHE A 80 10.944 2.507 0.210 1.00 53.42 H new ATOM 0 HD2 PHE A 80 13.984 2.861 -2.757 1.00 41.24 H new ATOM 0 HE1 PHE A 80 12.023 0.481 1.079 1.00 22.12 H new ATOM 0 HE2 PHE A 80 15.061 0.830 -1.892 1.00 44.13 H new ATOM 0 HZ PHE A 80 14.086 -0.360 0.031 1.00 44.14 H new ATOM 1309 N SER A 81 12.499 6.921 -2.813 1.00 74.14 N ATOM 1310 CA SER A 81 12.298 8.122 -3.644 1.00 70.21 C ATOM 1311 C SER A 81 11.046 8.010 -4.528 1.00 32.21 C ATOM 1312 O SER A 81 10.502 9.020 -4.978 1.00 12.22 O ATOM 1313 CB SER A 81 13.532 8.366 -4.523 1.00 73.32 C ATOM 1314 OG SER A 81 13.800 7.246 -5.356 1.00 71.52 O ATOM 0 H SER A 81 13.322 6.373 -3.065 1.00 74.14 H new ATOM 0 HA SER A 81 12.153 8.965 -2.968 1.00 70.21 H new ATOM 0 HB2 SER A 81 13.373 9.251 -5.139 1.00 73.32 H new ATOM 0 HB3 SER A 81 14.397 8.568 -3.892 1.00 73.32 H new ATOM 0 HG SER A 81 13.136 7.208 -6.076 1.00 71.52 H new ATOM 1320 N ASN A 82 10.595 6.780 -4.782 1.00 53.15 N ATOM 1321 CA ASN A 82 9.400 6.539 -5.602 1.00 15.24 C ATOM 1322 C ASN A 82 8.422 5.584 -4.900 1.00 41.53 C ATOM 1323 O ASN A 82 8.834 4.585 -4.309 1.00 1.45 O ATOM 1324 CB ASN A 82 9.794 5.948 -6.962 1.00 25.31 C ATOM 1325 CG ASN A 82 10.656 6.886 -7.787 1.00 33.10 C ATOM 1326 OD1 ASN A 82 11.959 6.801 -7.617 1.00 20.00 O flip ATOM 1327 ND2 ASN A 82 10.153 7.679 -8.575 1.00 53.23 N flip ATOM 0 H ASN A 82 11.039 5.931 -4.432 1.00 53.15 H new ATOM 0 HA ASN A 82 8.906 7.499 -5.749 1.00 15.24 H new ATOM 0 HB2 ASN A 82 10.332 5.013 -6.804 1.00 25.31 H new ATOM 0 HB3 ASN A 82 8.891 5.705 -7.522 1.00 25.31 H new ATOM 0 HD21 ASN A 82 9.139 7.718 -8.682 1.00 53.23 H new ATOM 0 HD22 ASN A 82 10.748 8.299 -9.124 1.00 53.23 H new ATOM 1334 N ILE A 83 7.123 5.886 -4.989 1.00 12.14 N ATOM 1335 CA ILE A 83 6.079 5.022 -4.409 1.00 20.11 C ATOM 1336 C ILE A 83 6.138 3.578 -4.964 1.00 64.13 C ATOM 1337 O ILE A 83 6.151 2.618 -4.186 1.00 32.35 O ATOM 1338 CB ILE A 83 4.655 5.605 -4.636 1.00 72.45 C ATOM 1339 CG1 ILE A 83 4.533 6.985 -3.972 1.00 32.32 C ATOM 1340 CG2 ILE A 83 3.584 4.650 -4.102 1.00 65.30 C ATOM 1341 CD1 ILE A 83 3.182 7.645 -4.162 1.00 3.11 C ATOM 0 H ILE A 83 6.765 6.720 -5.455 1.00 12.14 H new ATOM 0 HA ILE A 83 6.281 4.988 -3.338 1.00 20.11 H new ATOM 0 HB ILE A 83 4.497 5.721 -5.708 1.00 72.45 H new ATOM 0 HG12 ILE A 83 4.728 6.881 -2.905 1.00 32.32 H new ATOM 0 HG13 ILE A 83 5.305 7.640 -4.375 1.00 32.32 H new ATOM 0 HG21 ILE A 83 2.597 5.079 -4.272 1.00 65.30 H new ATOM 0 HG22 ILE A 83 3.658 3.694 -4.620 1.00 65.30 H new ATOM 0 HG23 ILE A 83 3.734 4.496 -3.033 1.00 65.30 H new ATOM 0 HD11 ILE A 83 3.177 8.614 -3.664 1.00 3.11 H new ATOM 0 HD12 ILE A 83 2.991 7.783 -5.226 1.00 3.11 H new ATOM 0 HD13 ILE A 83 2.405 7.013 -3.733 1.00 3.11 H new ATOM 1353 N PRO A 84 6.179 3.384 -6.312 1.00 41.31 N ATOM 1354 CA PRO A 84 6.276 2.036 -6.908 1.00 50.31 C ATOM 1355 C PRO A 84 7.483 1.241 -6.376 1.00 71.54 C ATOM 1356 O PRO A 84 7.406 0.030 -6.194 1.00 31.01 O ATOM 1357 CB PRO A 84 6.418 2.307 -8.423 1.00 20.21 C ATOM 1358 CG PRO A 84 6.772 3.753 -8.534 1.00 65.35 C ATOM 1359 CD PRO A 84 6.122 4.426 -7.357 1.00 34.12 C ATOM 0 HA PRO A 84 5.409 1.424 -6.660 1.00 50.31 H new ATOM 0 HB2 PRO A 84 7.191 1.678 -8.864 1.00 20.21 H new ATOM 0 HB3 PRO A 84 5.490 2.088 -8.950 1.00 20.21 H new ATOM 0 HG2 PRO A 84 7.853 3.893 -8.517 1.00 65.35 H new ATOM 0 HG3 PRO A 84 6.411 4.173 -9.473 1.00 65.35 H new ATOM 0 HD2 PRO A 84 6.658 5.327 -7.059 1.00 34.12 H new ATOM 0 HD3 PRO A 84 5.097 4.723 -7.576 1.00 34.12 H new ATOM 1367 N GLN A 85 8.591 1.938 -6.115 1.00 41.42 N ATOM 1368 CA GLN A 85 9.797 1.306 -5.561 1.00 25.11 C ATOM 1369 C GLN A 85 9.596 0.911 -4.092 1.00 23.34 C ATOM 1370 O GLN A 85 9.978 -0.180 -3.673 1.00 33.41 O ATOM 1371 CB GLN A 85 10.996 2.254 -5.698 1.00 32.41 C ATOM 1372 CG GLN A 85 11.459 2.460 -7.135 1.00 70.33 C ATOM 1373 CD GLN A 85 12.120 1.222 -7.716 1.00 45.35 C ATOM 1374 OE1 GLN A 85 13.331 1.049 -7.618 1.00 4.24 O ATOM 1375 NE2 GLN A 85 11.334 0.351 -8.313 1.00 53.03 N ATOM 0 H GLN A 85 8.681 2.941 -6.277 1.00 41.42 H new ATOM 0 HA GLN A 85 9.993 0.395 -6.127 1.00 25.11 H new ATOM 0 HB2 GLN A 85 10.733 3.221 -5.269 1.00 32.41 H new ATOM 0 HB3 GLN A 85 11.827 1.861 -5.112 1.00 32.41 H new ATOM 0 HG2 GLN A 85 10.604 2.735 -7.753 1.00 70.33 H new ATOM 0 HG3 GLN A 85 12.160 3.294 -7.171 1.00 70.33 H new ATOM 0 HE21 GLN A 85 10.331 0.528 -8.376 1.00 53.03 H new ATOM 0 HE22 GLN A 85 11.728 -0.501 -8.713 1.00 53.03 H new ATOM 1384 N LEU A 86 8.997 1.810 -3.316 1.00 72.14 N ATOM 1385 CA LEU A 86 8.649 1.532 -1.917 1.00 63.53 C ATOM 1386 C LEU A 86 7.805 0.245 -1.793 1.00 44.42 C ATOM 1387 O LEU A 86 8.173 -0.694 -1.075 1.00 41.31 O ATOM 1388 CB LEU A 86 7.880 2.730 -1.337 1.00 22.31 C ATOM 1389 CG LEU A 86 7.374 2.581 0.110 1.00 42.23 C ATOM 1390 CD1 LEU A 86 8.535 2.391 1.086 1.00 5.51 C ATOM 1391 CD2 LEU A 86 6.527 3.789 0.505 1.00 31.45 C ATOM 0 H LEU A 86 8.739 2.745 -3.631 1.00 72.14 H new ATOM 0 HA LEU A 86 9.570 1.378 -1.354 1.00 63.53 H new ATOM 0 HB2 LEU A 86 8.526 3.607 -1.385 1.00 22.31 H new ATOM 0 HB3 LEU A 86 7.023 2.930 -1.980 1.00 22.31 H new ATOM 0 HG LEU A 86 6.750 1.688 0.160 1.00 42.23 H new ATOM 0 HD11 LEU A 86 8.146 2.289 2.099 1.00 5.51 H new ATOM 0 HD12 LEU A 86 9.092 1.493 0.819 1.00 5.51 H new ATOM 0 HD13 LEU A 86 9.197 3.256 1.037 1.00 5.51 H new ATOM 0 HD21 LEU A 86 6.177 3.668 1.530 1.00 31.45 H new ATOM 0 HD22 LEU A 86 7.129 4.695 0.431 1.00 31.45 H new ATOM 0 HD23 LEU A 86 5.670 3.867 -0.164 1.00 31.45 H new ATOM 1403 N ILE A 87 6.684 0.212 -2.512 1.00 43.52 N ATOM 1404 CA ILE A 87 5.783 -0.946 -2.503 1.00 55.54 C ATOM 1405 C ILE A 87 6.475 -2.209 -3.049 1.00 15.14 C ATOM 1406 O ILE A 87 6.475 -3.254 -2.396 1.00 73.12 O ATOM 1407 CB ILE A 87 4.505 -0.663 -3.335 1.00 3.42 C ATOM 1408 CG1 ILE A 87 3.741 0.545 -2.762 1.00 41.30 C ATOM 1409 CG2 ILE A 87 3.601 -1.897 -3.393 1.00 74.23 C ATOM 1410 CD1 ILE A 87 3.250 0.349 -1.341 1.00 73.35 C ATOM 0 H ILE A 87 6.374 0.977 -3.112 1.00 43.52 H new ATOM 0 HA ILE A 87 5.506 -1.122 -1.464 1.00 55.54 H new ATOM 0 HB ILE A 87 4.812 -0.424 -4.353 1.00 3.42 H new ATOM 0 HG12 ILE A 87 4.390 1.420 -2.793 1.00 41.30 H new ATOM 0 HG13 ILE A 87 2.887 0.759 -3.404 1.00 41.30 H new ATOM 0 HG21 ILE A 87 2.713 -1.670 -3.982 1.00 74.23 H new ATOM 0 HG22 ILE A 87 4.142 -2.723 -3.855 1.00 74.23 H new ATOM 0 HG23 ILE A 87 3.304 -2.178 -2.383 1.00 74.23 H new ATOM 0 HD11 ILE A 87 2.723 1.244 -1.012 1.00 73.35 H new ATOM 0 HD12 ILE A 87 2.574 -0.505 -1.304 1.00 73.35 H new ATOM 0 HD13 ILE A 87 4.100 0.167 -0.684 1.00 73.35 H new ATOM 1422 N ASP A 88 7.081 -2.099 -4.234 1.00 14.33 N ATOM 1423 CA ASP A 88 7.752 -3.239 -4.875 1.00 41.25 C ATOM 1424 C ASP A 88 8.855 -3.826 -3.983 1.00 71.32 C ATOM 1425 O ASP A 88 8.925 -5.036 -3.791 1.00 10.04 O ATOM 1426 CB ASP A 88 8.341 -2.815 -6.229 1.00 74.02 C ATOM 1427 CG ASP A 88 9.092 -3.941 -6.925 1.00 52.44 C ATOM 1428 OD1 ASP A 88 8.442 -4.780 -7.589 1.00 23.54 O ATOM 1429 OD2 ASP A 88 10.337 -3.995 -6.813 1.00 11.33 O ATOM 0 H ASP A 88 7.122 -1.233 -4.771 1.00 14.33 H new ATOM 0 HA ASP A 88 7.003 -4.015 -5.032 1.00 41.25 H new ATOM 0 HB2 ASP A 88 7.537 -2.466 -6.877 1.00 74.02 H new ATOM 0 HB3 ASP A 88 9.016 -1.973 -6.078 1.00 74.02 H new ATOM 1434 N HIS A 89 9.698 -2.966 -3.419 1.00 44.40 N ATOM 1435 CA HIS A 89 10.842 -3.427 -2.629 1.00 10.13 C ATOM 1436 C HIS A 89 10.401 -4.155 -1.348 1.00 3.32 C ATOM 1437 O HIS A 89 11.078 -5.072 -0.891 1.00 72.55 O ATOM 1438 CB HIS A 89 11.774 -2.259 -2.287 1.00 62.40 C ATOM 1439 CG HIS A 89 13.125 -2.699 -1.811 1.00 74.04 C ATOM 1440 ND1 HIS A 89 14.122 -3.109 -2.666 1.00 43.41 N ATOM 1441 CD2 HIS A 89 13.646 -2.791 -0.563 1.00 5.21 C ATOM 1442 CE1 HIS A 89 15.193 -3.431 -1.970 1.00 22.10 C ATOM 1443 NE2 HIS A 89 14.933 -3.248 -0.692 1.00 11.32 N ATOM 0 H HIS A 89 9.614 -1.952 -3.492 1.00 44.40 H new ATOM 0 HA HIS A 89 11.388 -4.144 -3.243 1.00 10.13 H new ATOM 0 HB2 HIS A 89 11.894 -1.629 -3.168 1.00 62.40 H new ATOM 0 HB3 HIS A 89 11.308 -1.644 -1.517 1.00 62.40 H new ATOM 0 HD2 HIS A 89 13.142 -2.549 0.361 1.00 5.21 H new ATOM 0 HE1 HIS A 89 16.128 -3.786 -2.379 1.00 22.10 H new ATOM 0 HE2 HIS A 89 15.582 -3.418 0.076 1.00 11.32 H new ATOM 1452 N HIS A 90 9.277 -3.743 -0.758 1.00 40.45 N ATOM 1453 CA HIS A 90 8.719 -4.464 0.398 1.00 73.24 C ATOM 1454 C HIS A 90 8.055 -5.781 -0.040 1.00 4.24 C ATOM 1455 O HIS A 90 8.147 -6.794 0.658 1.00 55.52 O ATOM 1456 CB HIS A 90 7.723 -3.585 1.168 1.00 41.23 C ATOM 1457 CG HIS A 90 8.379 -2.561 2.047 1.00 43.32 C ATOM 1458 ND1 HIS A 90 8.342 -2.616 3.424 1.00 74.05 N ATOM 1459 CD2 HIS A 90 9.093 -1.452 1.740 1.00 1.12 C ATOM 1460 CE1 HIS A 90 9.000 -1.591 3.922 1.00 51.14 C ATOM 1461 NE2 HIS A 90 9.468 -0.867 2.926 1.00 61.41 N ATOM 0 H HIS A 90 8.739 -2.928 -1.052 1.00 40.45 H new ATOM 0 HA HIS A 90 9.545 -4.707 1.067 1.00 73.24 H new ATOM 0 HB2 HIS A 90 7.073 -3.077 0.455 1.00 41.23 H new ATOM 0 HB3 HIS A 90 7.086 -4.223 1.781 1.00 41.23 H new ATOM 0 HD1 HIS A 90 7.877 -3.339 3.972 1.00 74.05 H new ATOM 0 HD2 HIS A 90 9.325 -1.094 0.748 1.00 1.12 H new ATOM 0 HE1 HIS A 90 9.134 -1.379 4.972 1.00 51.14 H new ATOM 1470 N TYR A 91 7.406 -5.758 -1.204 1.00 63.15 N ATOM 1471 CA TYR A 91 6.752 -6.949 -1.762 1.00 61.13 C ATOM 1472 C TYR A 91 7.782 -8.038 -2.119 1.00 51.24 C ATOM 1473 O TYR A 91 7.611 -9.209 -1.779 1.00 73.13 O ATOM 1474 CB TYR A 91 5.942 -6.557 -3.010 1.00 5.24 C ATOM 1475 CG TYR A 91 5.134 -7.694 -3.616 1.00 24.45 C ATOM 1476 CD1 TYR A 91 3.855 -7.984 -3.152 1.00 53.31 C ATOM 1477 CD2 TYR A 91 5.643 -8.473 -4.652 1.00 62.14 C ATOM 1478 CE1 TYR A 91 3.112 -9.011 -3.701 1.00 11.12 C ATOM 1479 CE2 TYR A 91 4.903 -9.504 -5.205 1.00 72.20 C ATOM 1480 CZ TYR A 91 3.637 -9.768 -4.722 1.00 2.42 C ATOM 1481 OH TYR A 91 2.888 -10.788 -5.269 1.00 34.40 O ATOM 0 H TYR A 91 7.317 -4.924 -1.784 1.00 63.15 H new ATOM 0 HA TYR A 91 6.082 -7.358 -1.006 1.00 61.13 H new ATOM 0 HB2 TYR A 91 5.264 -5.745 -2.748 1.00 5.24 H new ATOM 0 HB3 TYR A 91 6.626 -6.170 -3.766 1.00 5.24 H new ATOM 0 HD1 TYR A 91 3.436 -7.396 -2.349 1.00 53.31 H new ATOM 0 HD2 TYR A 91 6.633 -8.269 -5.031 1.00 62.14 H new ATOM 0 HE1 TYR A 91 2.120 -9.219 -3.329 1.00 11.12 H new ATOM 0 HE2 TYR A 91 5.313 -10.098 -6.009 1.00 72.20 H new ATOM 0 HH TYR A 91 3.401 -11.226 -5.980 1.00 34.40 H new ATOM 1491 N THR A 92 8.851 -7.633 -2.804 1.00 1.22 N ATOM 1492 CA THR A 92 9.916 -8.556 -3.222 1.00 25.32 C ATOM 1493 C THR A 92 10.655 -9.162 -2.024 1.00 52.43 C ATOM 1494 O THR A 92 10.784 -10.382 -1.912 1.00 31.02 O ATOM 1495 CB THR A 92 10.950 -7.848 -4.130 1.00 12.21 C ATOM 1496 OG1 THR A 92 11.517 -6.715 -3.447 1.00 21.51 O ATOM 1497 CG2 THR A 92 10.309 -7.392 -5.437 1.00 33.03 C ATOM 0 H THR A 92 9.007 -6.665 -3.085 1.00 1.22 H new ATOM 0 HA THR A 92 9.423 -9.354 -3.777 1.00 25.32 H new ATOM 0 HB THR A 92 11.740 -8.563 -4.362 1.00 12.21 H new ATOM 0 HG1 THR A 92 12.171 -6.275 -4.030 1.00 21.51 H new ATOM 0 HG21 THR A 92 11.057 -6.898 -6.056 1.00 33.03 H new ATOM 0 HG22 THR A 92 9.912 -8.257 -5.969 1.00 33.03 H new ATOM 0 HG23 THR A 92 9.499 -6.695 -5.221 1.00 33.03 H new ATOM 1505 N THR A 93 11.139 -8.301 -1.133 1.00 22.55 N ATOM 1506 CA THR A 93 11.871 -8.748 0.067 1.00 65.35 C ATOM 1507 C THR A 93 10.960 -9.481 1.064 1.00 54.14 C ATOM 1508 O THR A 93 11.449 -10.144 1.982 1.00 34.20 O ATOM 1509 CB THR A 93 12.542 -7.566 0.801 1.00 64.23 C ATOM 1510 OG1 THR A 93 11.540 -6.660 1.298 1.00 12.53 O ATOM 1511 CG2 THR A 93 13.498 -6.820 -0.125 1.00 13.33 C ATOM 0 H THR A 93 11.042 -7.289 -1.212 1.00 22.55 H new ATOM 0 HA THR A 93 12.634 -9.437 -0.295 1.00 65.35 H new ATOM 0 HB THR A 93 13.114 -7.967 1.638 1.00 64.23 H new ATOM 0 HG1 THR A 93 11.382 -5.953 0.638 1.00 12.53 H new ATOM 0 HG21 THR A 93 13.957 -5.993 0.416 1.00 13.33 H new ATOM 0 HG22 THR A 93 14.274 -7.502 -0.472 1.00 13.33 H new ATOM 0 HG23 THR A 93 12.946 -6.432 -0.981 1.00 13.33 H new ATOM 1519 N LYS A 94 9.643 -9.352 0.883 1.00 62.23 N ATOM 1520 CA LYS A 94 8.656 -10.004 1.757 1.00 44.34 C ATOM 1521 C LYS A 94 8.731 -9.435 3.192 1.00 43.12 C ATOM 1522 O LYS A 94 8.436 -10.122 4.176 1.00 52.03 O ATOM 1523 CB LYS A 94 8.870 -11.534 1.741 1.00 72.54 C ATOM 1524 CG LYS A 94 7.726 -12.349 2.345 1.00 30.04 C ATOM 1525 CD LYS A 94 6.391 -12.066 1.657 1.00 72.44 C ATOM 1526 CE LYS A 94 5.298 -13.021 2.128 1.00 20.24 C ATOM 1527 NZ LYS A 94 5.182 -13.058 3.611 1.00 3.15 N ATOM 0 H LYS A 94 9.230 -8.798 0.133 1.00 62.23 H new ATOM 0 HA LYS A 94 7.655 -9.795 1.379 1.00 44.34 H new ATOM 0 HB2 LYS A 94 9.021 -11.855 0.710 1.00 72.54 H new ATOM 0 HB3 LYS A 94 9.787 -11.764 2.284 1.00 72.54 H new ATOM 0 HG2 LYS A 94 7.957 -13.411 2.264 1.00 30.04 H new ATOM 0 HG3 LYS A 94 7.641 -12.121 3.408 1.00 30.04 H new ATOM 0 HD2 LYS A 94 6.088 -11.039 1.859 1.00 72.44 H new ATOM 0 HD3 LYS A 94 6.512 -12.156 0.577 1.00 72.44 H new ATOM 0 HE2 LYS A 94 4.343 -12.717 1.698 1.00 20.24 H new ATOM 0 HE3 LYS A 94 5.510 -14.024 1.757 1.00 20.24 H new ATOM 0 HZ1 LYS A 94 4.344 -13.612 3.880 1.00 3.15 H new ATOM 0 HZ2 LYS A 94 6.033 -13.500 4.015 1.00 3.15 H new ATOM 0 HZ3 LYS A 94 5.089 -12.089 3.976 1.00 3.15 H new ATOM 1541 N GLN A 95 9.096 -8.155 3.296 1.00 10.33 N ATOM 1542 CA GLN A 95 9.214 -7.475 4.596 1.00 5.30 C ATOM 1543 C GLN A 95 7.930 -6.707 4.964 1.00 32.24 C ATOM 1544 O GLN A 95 7.099 -6.406 4.103 1.00 61.34 O ATOM 1545 CB GLN A 95 10.417 -6.516 4.591 1.00 52.52 C ATOM 1546 CG GLN A 95 11.767 -7.223 4.468 1.00 10.13 C ATOM 1547 CD GLN A 95 12.074 -8.148 5.642 1.00 22.30 C ATOM 1548 OE1 GLN A 95 11.617 -7.791 6.827 1.00 45.24 O flip ATOM 1549 NE2 GLN A 95 12.738 -9.171 5.489 1.00 22.22 N flip ATOM 0 H GLN A 95 9.316 -7.564 2.495 1.00 10.33 H new ATOM 0 HA GLN A 95 9.368 -8.245 5.352 1.00 5.30 H new ATOM 0 HB2 GLN A 95 10.308 -5.815 3.764 1.00 52.52 H new ATOM 0 HB3 GLN A 95 10.407 -5.930 5.510 1.00 52.52 H new ATOM 0 HG2 GLN A 95 11.783 -7.802 3.545 1.00 10.13 H new ATOM 0 HG3 GLN A 95 12.555 -6.474 4.389 1.00 10.13 H new ATOM 0 HE21 GLN A 95 13.079 -9.424 4.562 1.00 22.22 H new ATOM 0 HE22 GLN A 95 12.948 -9.767 6.290 1.00 22.22 H new ATOM 1558 N VAL A 96 7.784 -6.383 6.249 1.00 32.23 N ATOM 1559 CA VAL A 96 6.589 -5.693 6.755 1.00 22.12 C ATOM 1560 C VAL A 96 6.464 -4.257 6.211 1.00 72.04 C ATOM 1561 O VAL A 96 7.440 -3.659 5.754 1.00 13.21 O ATOM 1562 CB VAL A 96 6.588 -5.634 8.307 1.00 44.45 C ATOM 1563 CG1 VAL A 96 6.623 -7.038 8.908 1.00 74.33 C ATOM 1564 CG2 VAL A 96 7.758 -4.792 8.813 1.00 64.21 C ATOM 0 H VAL A 96 8.481 -6.587 6.965 1.00 32.23 H new ATOM 0 HA VAL A 96 5.738 -6.276 6.404 1.00 22.12 H new ATOM 0 HB VAL A 96 5.662 -5.158 8.629 1.00 44.45 H new ATOM 0 HG11 VAL A 96 6.622 -6.968 9.996 1.00 74.33 H new ATOM 0 HG12 VAL A 96 5.747 -7.597 8.579 1.00 74.33 H new ATOM 0 HG13 VAL A 96 7.526 -7.552 8.579 1.00 74.33 H new ATOM 0 HG21 VAL A 96 7.741 -4.762 9.902 1.00 64.21 H new ATOM 0 HG22 VAL A 96 8.696 -5.234 8.477 1.00 64.21 H new ATOM 0 HG23 VAL A 96 7.673 -3.778 8.421 1.00 64.21 H new ATOM 1574 N ILE A 97 5.247 -3.719 6.258 1.00 22.43 N ATOM 1575 CA ILE A 97 4.994 -2.316 5.908 1.00 15.45 C ATOM 1576 C ILE A 97 5.186 -1.407 7.136 1.00 54.33 C ATOM 1577 O ILE A 97 5.952 -0.442 7.100 1.00 1.51 O ATOM 1578 CB ILE A 97 3.559 -2.136 5.340 1.00 3.33 C ATOM 1579 CG1 ILE A 97 3.407 -2.914 4.024 1.00 31.15 C ATOM 1580 CG2 ILE A 97 3.226 -0.660 5.131 1.00 11.03 C ATOM 1581 CD1 ILE A 97 4.353 -2.455 2.932 1.00 51.12 C ATOM 0 H ILE A 97 4.413 -4.235 6.537 1.00 22.43 H new ATOM 0 HA ILE A 97 5.712 -2.030 5.140 1.00 15.45 H new ATOM 0 HB ILE A 97 2.854 -2.536 6.069 1.00 3.33 H new ATOM 0 HG12 ILE A 97 3.576 -3.973 4.217 1.00 31.15 H new ATOM 0 HG13 ILE A 97 2.381 -2.814 3.669 1.00 31.15 H new ATOM 0 HG21 ILE A 97 2.216 -0.568 4.733 1.00 11.03 H new ATOM 0 HG22 ILE A 97 3.290 -0.134 6.084 1.00 11.03 H new ATOM 0 HG23 ILE A 97 3.935 -0.223 4.427 1.00 11.03 H new ATOM 0 HD11 ILE A 97 4.188 -3.050 2.034 1.00 51.12 H new ATOM 0 HD12 ILE A 97 4.170 -1.404 2.710 1.00 51.12 H new ATOM 0 HD13 ILE A 97 5.383 -2.581 3.266 1.00 51.12 H new ATOM 1593 N THR A 98 4.470 -1.725 8.215 1.00 44.32 N ATOM 1594 CA THR A 98 4.621 -1.022 9.498 1.00 23.41 C ATOM 1595 C THR A 98 4.687 -2.022 10.658 1.00 41.55 C ATOM 1596 O THR A 98 3.857 -2.933 10.751 1.00 0.41 O ATOM 1597 CB THR A 98 3.452 -0.039 9.776 1.00 43.32 C ATOM 1598 OG1 THR A 98 2.210 -0.753 9.869 1.00 30.04 O ATOM 1599 CG2 THR A 98 3.344 1.027 8.693 1.00 24.03 C ATOM 0 H THR A 98 3.774 -2.470 8.229 1.00 44.32 H new ATOM 0 HA THR A 98 5.549 -0.454 9.426 1.00 23.41 H new ATOM 0 HB THR A 98 3.662 0.456 10.724 1.00 43.32 H new ATOM 0 HG1 THR A 98 1.541 -0.322 9.296 1.00 30.04 H new ATOM 0 HG21 THR A 98 2.515 1.696 8.922 1.00 24.03 H new ATOM 0 HG22 THR A 98 4.271 1.599 8.652 1.00 24.03 H new ATOM 0 HG23 THR A 98 3.169 0.550 7.729 1.00 24.03 H new ATOM 1607 N LYS A 99 5.657 -1.843 11.552 1.00 1.41 N ATOM 1608 CA LYS A 99 5.812 -2.720 12.716 1.00 30.22 C ATOM 1609 C LYS A 99 4.633 -2.572 13.693 1.00 71.23 C ATOM 1610 O LYS A 99 4.426 -3.419 14.563 1.00 33.12 O ATOM 1611 CB LYS A 99 7.139 -2.435 13.438 1.00 42.12 C ATOM 1612 CG LYS A 99 8.370 -2.916 12.674 1.00 31.30 C ATOM 1613 CD LYS A 99 8.326 -4.425 12.422 1.00 74.14 C ATOM 1614 CE LYS A 99 8.268 -5.223 13.723 1.00 45.03 C ATOM 1615 NZ LYS A 99 8.110 -6.683 13.480 1.00 33.10 N ATOM 0 H LYS A 99 6.350 -1.097 11.494 1.00 1.41 H new ATOM 0 HA LYS A 99 5.823 -3.748 12.353 1.00 30.22 H new ATOM 0 HB2 LYS A 99 7.226 -1.362 13.610 1.00 42.12 H new ATOM 0 HB3 LYS A 99 7.120 -2.914 14.417 1.00 42.12 H new ATOM 0 HG2 LYS A 99 8.436 -2.390 11.722 1.00 31.30 H new ATOM 0 HG3 LYS A 99 9.269 -2.667 13.238 1.00 31.30 H new ATOM 0 HD2 LYS A 99 7.456 -4.665 11.811 1.00 74.14 H new ATOM 0 HD3 LYS A 99 9.207 -4.723 11.853 1.00 74.14 H new ATOM 0 HE2 LYS A 99 9.179 -5.048 14.296 1.00 45.03 H new ATOM 0 HE3 LYS A 99 7.436 -4.865 14.330 1.00 45.03 H new ATOM 0 HZ1 LYS A 99 8.075 -7.185 14.390 1.00 33.10 H new ATOM 0 HZ2 LYS A 99 7.228 -6.854 12.956 1.00 33.10 H new ATOM 0 HZ3 LYS A 99 8.916 -7.032 12.923 1.00 33.10 H new ATOM 1629 N LYS A 100 3.876 -1.486 13.548 1.00 3.04 N ATOM 1630 CA LYS A 100 2.657 -1.272 14.338 1.00 34.03 C ATOM 1631 C LYS A 100 1.638 -2.406 14.113 1.00 30.51 C ATOM 1632 O LYS A 100 0.994 -2.869 15.056 1.00 22.42 O ATOM 1633 CB LYS A 100 2.021 0.082 13.982 1.00 0.21 C ATOM 1634 CG LYS A 100 2.992 1.257 14.082 1.00 23.21 C ATOM 1635 CD LYS A 100 3.501 1.477 15.509 1.00 20.23 C ATOM 1636 CE LYS A 100 4.794 2.289 15.535 1.00 61.43 C ATOM 1637 NZ LYS A 100 4.697 3.538 14.739 1.00 3.54 N ATOM 0 H LYS A 100 4.083 -0.736 12.889 1.00 3.04 H new ATOM 0 HA LYS A 100 2.938 -1.271 15.391 1.00 34.03 H new ATOM 0 HB2 LYS A 100 1.626 0.033 12.967 1.00 0.21 H new ATOM 0 HB3 LYS A 100 1.175 0.263 14.645 1.00 0.21 H new ATOM 0 HG2 LYS A 100 3.840 1.081 13.420 1.00 23.21 H new ATOM 0 HG3 LYS A 100 2.498 2.163 13.732 1.00 23.21 H new ATOM 0 HD2 LYS A 100 2.737 1.992 16.091 1.00 20.23 H new ATOM 0 HD3 LYS A 100 3.669 0.512 15.987 1.00 20.23 H new ATOM 0 HE2 LYS A 100 5.042 2.538 16.567 1.00 61.43 H new ATOM 0 HE3 LYS A 100 5.610 1.679 15.149 1.00 61.43 H new ATOM 0 HZ1 LYS A 100 5.378 4.235 15.102 1.00 3.54 H new ATOM 0 HZ2 LYS A 100 4.910 3.332 13.742 1.00 3.54 H new ATOM 0 HZ3 LYS A 100 3.734 3.924 14.814 1.00 3.54 H new ATOM 1651 N SER A 101 1.502 -2.856 12.864 1.00 3.54 N ATOM 1652 CA SER A 101 0.527 -3.913 12.518 1.00 65.41 C ATOM 1653 C SER A 101 1.212 -5.226 12.100 1.00 3.35 C ATOM 1654 O SER A 101 0.612 -6.300 12.174 1.00 41.24 O ATOM 1655 CB SER A 101 -0.407 -3.439 11.391 1.00 24.22 C ATOM 1656 OG SER A 101 -1.179 -2.316 11.793 1.00 32.22 O ATOM 0 H SER A 101 2.048 -2.512 12.074 1.00 3.54 H new ATOM 0 HA SER A 101 -0.054 -4.111 13.418 1.00 65.41 H new ATOM 0 HB2 SER A 101 0.184 -3.180 10.512 1.00 24.22 H new ATOM 0 HB3 SER A 101 -1.071 -4.253 11.100 1.00 24.22 H new ATOM 0 HG SER A 101 -1.510 -1.846 11.000 1.00 32.22 H new ATOM 1662 N GLY A 102 2.464 -5.134 11.653 1.00 74.13 N ATOM 1663 CA GLY A 102 3.209 -6.316 11.226 1.00 1.24 C ATOM 1664 C GLY A 102 2.640 -6.984 9.977 1.00 50.53 C ATOM 1665 O GLY A 102 2.653 -8.211 9.853 1.00 55.05 O ATOM 0 H GLY A 102 2.981 -4.258 11.578 1.00 74.13 H new ATOM 0 HA2 GLY A 102 4.244 -6.033 11.036 1.00 1.24 H new ATOM 0 HA3 GLY A 102 3.221 -7.040 12.041 1.00 1.24 H new ATOM 1669 N VAL A 103 2.147 -6.179 9.041 1.00 11.11 N ATOM 1670 CA VAL A 103 1.550 -6.707 7.808 1.00 52.34 C ATOM 1671 C VAL A 103 2.539 -6.687 6.633 1.00 14.31 C ATOM 1672 O VAL A 103 3.284 -5.722 6.448 1.00 31.10 O ATOM 1673 CB VAL A 103 0.275 -5.919 7.418 1.00 25.22 C ATOM 1674 CG1 VAL A 103 -0.376 -6.521 6.174 1.00 72.10 C ATOM 1675 CG2 VAL A 103 -0.713 -5.887 8.580 1.00 53.52 C ATOM 0 H VAL A 103 2.147 -5.161 9.107 1.00 11.11 H new ATOM 0 HA VAL A 103 1.283 -7.743 8.016 1.00 52.34 H new ATOM 0 HB VAL A 103 0.566 -4.894 7.187 1.00 25.22 H new ATOM 0 HG11 VAL A 103 -1.270 -5.951 5.919 1.00 72.10 H new ATOM 0 HG12 VAL A 103 0.327 -6.485 5.342 1.00 72.10 H new ATOM 0 HG13 VAL A 103 -0.651 -7.557 6.372 1.00 72.10 H new ATOM 0 HG21 VAL A 103 -1.602 -5.329 8.286 1.00 53.52 H new ATOM 0 HG22 VAL A 103 -0.995 -6.906 8.846 1.00 53.52 H new ATOM 0 HG23 VAL A 103 -0.248 -5.403 9.439 1.00 53.52 H new ATOM 1685 N VAL A 104 2.526 -7.761 5.839 1.00 50.50 N ATOM 1686 CA VAL A 104 3.393 -7.893 4.658 1.00 43.24 C ATOM 1687 C VAL A 104 2.558 -7.962 3.365 1.00 43.33 C ATOM 1688 O VAL A 104 1.397 -8.370 3.390 1.00 65.31 O ATOM 1689 CB VAL A 104 4.286 -9.160 4.766 1.00 61.32 C ATOM 1690 CG1 VAL A 104 5.237 -9.267 3.574 1.00 32.53 C ATOM 1691 CG2 VAL A 104 5.066 -9.155 6.080 1.00 34.54 C ATOM 0 H VAL A 104 1.916 -8.564 5.994 1.00 50.50 H new ATOM 0 HA VAL A 104 4.031 -7.010 4.620 1.00 43.24 H new ATOM 0 HB VAL A 104 3.635 -10.034 4.754 1.00 61.32 H new ATOM 0 HG11 VAL A 104 5.849 -10.163 3.676 1.00 32.53 H new ATOM 0 HG12 VAL A 104 4.659 -9.326 2.652 1.00 32.53 H new ATOM 0 HG13 VAL A 104 5.882 -8.389 3.543 1.00 32.53 H new ATOM 0 HG21 VAL A 104 5.686 -10.050 6.139 1.00 34.54 H new ATOM 0 HG22 VAL A 104 5.701 -8.270 6.123 1.00 34.54 H new ATOM 0 HG23 VAL A 104 4.368 -9.142 6.917 1.00 34.54 H new ATOM 1701 N LEU A 105 3.155 -7.568 2.237 1.00 42.10 N ATOM 1702 CA LEU A 105 2.443 -7.530 0.948 1.00 31.54 C ATOM 1703 C LEU A 105 2.571 -8.848 0.164 1.00 51.12 C ATOM 1704 O LEU A 105 3.675 -9.315 -0.115 1.00 42.33 O ATOM 1705 CB LEU A 105 2.979 -6.377 0.086 1.00 13.14 C ATOM 1706 CG LEU A 105 2.873 -4.977 0.709 1.00 43.03 C ATOM 1707 CD1 LEU A 105 3.436 -3.926 -0.243 1.00 22.23 C ATOM 1708 CD2 LEU A 105 1.429 -4.652 1.087 1.00 53.02 C ATOM 0 H LEU A 105 4.129 -7.270 2.186 1.00 42.10 H new ATOM 0 HA LEU A 105 1.387 -7.378 1.173 1.00 31.54 H new ATOM 0 HB2 LEU A 105 4.026 -6.575 -0.143 1.00 13.14 H new ATOM 0 HB3 LEU A 105 2.440 -6.375 -0.862 1.00 13.14 H new ATOM 0 HG LEU A 105 3.466 -4.965 1.623 1.00 43.03 H new ATOM 0 HD11 LEU A 105 3.353 -2.940 0.214 1.00 22.23 H new ATOM 0 HD12 LEU A 105 4.484 -4.144 -0.447 1.00 22.23 H new ATOM 0 HD13 LEU A 105 2.873 -3.942 -1.176 1.00 22.23 H new ATOM 0 HD21 LEU A 105 1.383 -3.655 1.526 1.00 53.02 H new ATOM 0 HD22 LEU A 105 0.803 -4.685 0.195 1.00 53.02 H new ATOM 0 HD23 LEU A 105 1.069 -5.384 1.810 1.00 53.02 H new ATOM 1720 N LEU A 106 1.429 -9.450 -0.170 1.00 74.21 N ATOM 1721 CA LEU A 106 1.383 -10.625 -1.052 1.00 1.15 C ATOM 1722 C LEU A 106 0.136 -10.585 -1.960 1.00 43.40 C ATOM 1723 O LEU A 106 -0.895 -10.054 -1.570 1.00 43.23 O ATOM 1724 CB LEU A 106 1.432 -11.939 -0.242 1.00 65.23 C ATOM 1725 CG LEU A 106 0.374 -12.104 0.871 1.00 61.25 C ATOM 1726 CD1 LEU A 106 0.294 -13.558 1.326 1.00 71.12 C ATOM 1727 CD2 LEU A 106 0.681 -11.207 2.070 1.00 64.52 C ATOM 0 H LEU A 106 0.514 -9.142 0.159 1.00 74.21 H new ATOM 0 HA LEU A 106 2.267 -10.595 -1.688 1.00 1.15 H new ATOM 0 HB2 LEU A 106 1.328 -12.772 -0.937 1.00 65.23 H new ATOM 0 HB3 LEU A 106 2.420 -12.023 0.211 1.00 65.23 H new ATOM 0 HG LEU A 106 -0.587 -11.805 0.453 1.00 61.25 H new ATOM 0 HD11 LEU A 106 -0.457 -13.653 2.110 1.00 71.12 H new ATOM 0 HD12 LEU A 106 0.018 -14.189 0.481 1.00 71.12 H new ATOM 0 HD13 LEU A 106 1.264 -13.872 1.712 1.00 71.12 H new ATOM 0 HD21 LEU A 106 -0.083 -11.348 2.835 1.00 64.52 H new ATOM 0 HD22 LEU A 106 1.657 -11.468 2.479 1.00 64.52 H new ATOM 0 HD23 LEU A 106 0.688 -10.164 1.752 1.00 64.52 H new ATOM 1739 N ASN A 107 0.253 -11.151 -3.170 1.00 63.02 N ATOM 1740 CA ASN A 107 -0.845 -11.205 -4.165 1.00 74.30 C ATOM 1741 C ASN A 107 -1.655 -9.884 -4.296 1.00 3.40 C ATOM 1742 O ASN A 107 -2.672 -9.692 -3.628 1.00 42.51 O ATOM 1743 CB ASN A 107 -1.789 -12.406 -3.912 1.00 20.33 C ATOM 1744 CG ASN A 107 -2.272 -12.543 -2.470 1.00 3.05 C ATOM 1745 OD1 ASN A 107 -1.690 -13.279 -1.675 1.00 32.23 O ATOM 1746 ND2 ASN A 107 -3.334 -11.849 -2.120 1.00 74.22 N ATOM 0 H ASN A 107 1.115 -11.589 -3.495 1.00 63.02 H new ATOM 0 HA ASN A 107 -0.346 -11.346 -5.124 1.00 74.30 H new ATOM 0 HB2 ASN A 107 -2.657 -12.313 -4.565 1.00 20.33 H new ATOM 0 HB3 ASN A 107 -1.273 -13.323 -4.197 1.00 20.33 H new ATOM 0 HD21 ASN A 107 -3.695 -11.914 -1.168 1.00 74.22 H new ATOM 0 HD22 ASN A 107 -3.797 -11.246 -2.801 1.00 74.22 H new ATOM 1753 N PRO A 108 -1.221 -8.966 -5.187 1.00 42.50 N ATOM 1754 CA PRO A 108 -1.917 -7.679 -5.418 1.00 64.52 C ATOM 1755 C PRO A 108 -3.203 -7.815 -6.263 1.00 21.15 C ATOM 1756 O PRO A 108 -3.358 -8.760 -7.037 1.00 41.30 O ATOM 1757 CB PRO A 108 -0.865 -6.857 -6.173 1.00 5.13 C ATOM 1758 CG PRO A 108 -0.064 -7.873 -6.917 1.00 34.54 C ATOM 1759 CD PRO A 108 -0.015 -9.097 -6.034 1.00 55.14 C ATOM 0 HA PRO A 108 -2.259 -7.234 -4.484 1.00 64.52 H new ATOM 0 HB2 PRO A 108 -1.331 -6.143 -6.852 1.00 5.13 H new ATOM 0 HB3 PRO A 108 -0.241 -6.284 -5.487 1.00 5.13 H new ATOM 0 HG2 PRO A 108 -0.524 -8.104 -7.878 1.00 34.54 H new ATOM 0 HG3 PRO A 108 0.940 -7.502 -7.125 1.00 34.54 H new ATOM 0 HD2 PRO A 108 -0.035 -10.015 -6.621 1.00 55.14 H new ATOM 0 HD3 PRO A 108 0.895 -9.122 -5.434 1.00 55.14 H new ATOM 1767 N ILE A 109 -4.122 -6.855 -6.115 1.00 62.03 N ATOM 1768 CA ILE A 109 -5.386 -6.860 -6.868 1.00 35.31 C ATOM 1769 C ILE A 109 -5.342 -5.878 -8.061 1.00 61.15 C ATOM 1770 O ILE A 109 -5.132 -4.675 -7.867 1.00 74.33 O ATOM 1771 CB ILE A 109 -6.581 -6.480 -5.952 1.00 70.44 C ATOM 1772 CG1 ILE A 109 -6.755 -7.517 -4.830 1.00 74.04 C ATOM 1773 CG2 ILE A 109 -7.872 -6.339 -6.765 1.00 51.33 C ATOM 1774 CD1 ILE A 109 -7.117 -8.903 -5.327 1.00 65.25 C ATOM 0 H ILE A 109 -4.016 -6.063 -5.481 1.00 62.03 H new ATOM 0 HA ILE A 109 -5.521 -7.873 -7.246 1.00 35.31 H new ATOM 0 HB ILE A 109 -6.364 -5.514 -5.496 1.00 70.44 H new ATOM 0 HG12 ILE A 109 -5.830 -7.577 -4.257 1.00 74.04 H new ATOM 0 HG13 ILE A 109 -7.531 -7.172 -4.147 1.00 74.04 H new ATOM 0 HG21 ILE A 109 -8.693 -6.073 -6.100 1.00 51.33 H new ATOM 0 HG22 ILE A 109 -7.746 -5.559 -7.516 1.00 51.33 H new ATOM 0 HG23 ILE A 109 -8.097 -7.285 -7.258 1.00 51.33 H new ATOM 0 HD11 ILE A 109 -7.223 -9.578 -4.478 1.00 65.25 H new ATOM 0 HD12 ILE A 109 -8.058 -8.859 -5.875 1.00 65.25 H new ATOM 0 HD13 ILE A 109 -6.331 -9.270 -5.987 1.00 65.25 H new ATOM 1786 N PRO A 110 -5.556 -6.376 -9.303 1.00 14.32 N ATOM 1787 CA PRO A 110 -5.572 -5.529 -10.517 1.00 23.11 C ATOM 1788 C PRO A 110 -6.555 -4.349 -10.408 1.00 33.43 C ATOM 1789 O PRO A 110 -7.579 -4.439 -9.725 1.00 75.43 O ATOM 1790 CB PRO A 110 -5.998 -6.499 -11.637 1.00 42.52 C ATOM 1791 CG PRO A 110 -6.549 -7.696 -10.933 1.00 60.55 C ATOM 1792 CD PRO A 110 -5.803 -7.789 -9.632 1.00 10.11 C ATOM 0 HA PRO A 110 -4.603 -5.063 -10.693 1.00 23.11 H new ATOM 0 HB2 PRO A 110 -6.747 -6.045 -12.287 1.00 42.52 H new ATOM 0 HB3 PRO A 110 -5.151 -6.769 -12.267 1.00 42.52 H new ATOM 0 HG2 PRO A 110 -7.620 -7.590 -10.762 1.00 60.55 H new ATOM 0 HG3 PRO A 110 -6.409 -8.598 -11.529 1.00 60.55 H new ATOM 0 HD2 PRO A 110 -6.391 -8.288 -8.862 1.00 10.11 H new ATOM 0 HD3 PRO A 110 -4.874 -8.349 -9.736 1.00 10.11 H new ATOM 1800 N LYS A 111 -6.246 -3.243 -11.084 1.00 22.44 N ATOM 1801 CA LYS A 111 -7.028 -2.010 -10.934 1.00 2.35 C ATOM 1802 C LYS A 111 -8.070 -1.805 -12.041 1.00 5.44 C ATOM 1803 O LYS A 111 -7.946 -2.320 -13.155 1.00 15.21 O ATOM 1804 CB LYS A 111 -6.101 -0.789 -10.814 1.00 24.24 C ATOM 1805 CG LYS A 111 -4.976 -0.704 -11.848 1.00 65.32 C ATOM 1806 CD LYS A 111 -5.414 -0.044 -13.153 1.00 52.34 C ATOM 1807 CE LYS A 111 -4.206 0.396 -13.975 1.00 60.24 C ATOM 1808 NZ LYS A 111 -3.364 1.375 -13.231 1.00 21.00 N ATOM 0 H LYS A 111 -5.466 -3.172 -11.737 1.00 22.44 H new ATOM 0 HA LYS A 111 -7.594 -2.119 -10.009 1.00 2.35 H new ATOM 0 HB2 LYS A 111 -6.708 0.113 -10.890 1.00 24.24 H new ATOM 0 HB3 LYS A 111 -5.655 -0.791 -9.819 1.00 24.24 H new ATOM 0 HG2 LYS A 111 -4.143 -0.143 -11.425 1.00 65.32 H new ATOM 0 HG3 LYS A 111 -4.609 -1.708 -12.060 1.00 65.32 H new ATOM 0 HD2 LYS A 111 -6.018 -0.742 -13.733 1.00 52.34 H new ATOM 0 HD3 LYS A 111 -6.044 0.818 -12.935 1.00 52.34 H new ATOM 0 HE2 LYS A 111 -3.606 -0.476 -14.237 1.00 60.24 H new ATOM 0 HE3 LYS A 111 -4.544 0.843 -14.910 1.00 60.24 H new ATOM 0 HZ1 LYS A 111 -2.819 1.948 -13.906 1.00 21.00 H new ATOM 0 HZ2 LYS A 111 -3.974 1.997 -12.663 1.00 21.00 H new ATOM 0 HZ3 LYS A 111 -2.710 0.864 -12.604 1.00 21.00 H new ATOM 1822 N ASP A 112 -9.098 -1.031 -11.698 1.00 52.32 N ATOM 1823 CA ASP A 112 -10.238 -0.774 -12.575 1.00 22.03 C ATOM 1824 C ASP A 112 -9.859 0.102 -13.785 1.00 73.13 C ATOM 1825 O ASP A 112 -9.434 1.246 -13.629 1.00 34.14 O ATOM 1826 CB ASP A 112 -11.347 -0.076 -11.769 1.00 53.23 C ATOM 1827 CG ASP A 112 -11.652 -0.782 -10.456 1.00 14.24 C ATOM 1828 OD1 ASP A 112 -10.780 -0.787 -9.559 1.00 51.24 O ATOM 1829 OD2 ASP A 112 -12.773 -1.313 -10.307 1.00 70.33 O ATOM 0 H ASP A 112 -9.163 -0.561 -10.795 1.00 52.32 H new ATOM 0 HA ASP A 112 -10.584 -1.733 -12.959 1.00 22.03 H new ATOM 0 HB2 ASP A 112 -11.049 0.952 -11.563 1.00 53.23 H new ATOM 0 HB3 ASP A 112 -12.254 -0.030 -12.371 1.00 53.23 H new ATOM 1834 N LYS A 113 -10.019 -0.440 -14.991 1.00 65.31 N ATOM 1835 CA LYS A 113 -9.844 0.349 -16.216 1.00 42.22 C ATOM 1836 C LYS A 113 -11.102 1.176 -16.535 1.00 14.32 C ATOM 1837 O LYS A 113 -11.129 1.926 -17.511 1.00 74.24 O ATOM 1838 CB LYS A 113 -9.497 -0.564 -17.401 1.00 41.30 C ATOM 1839 CG LYS A 113 -8.056 -1.062 -17.395 1.00 54.11 C ATOM 1840 CD LYS A 113 -7.041 0.075 -17.581 1.00 45.21 C ATOM 1841 CE LYS A 113 -7.033 0.639 -19.008 1.00 72.34 C ATOM 1842 NZ LYS A 113 -8.268 1.399 -19.351 1.00 45.33 N ATOM 0 H LYS A 113 -10.268 -1.416 -15.149 1.00 65.31 H new ATOM 0 HA LYS A 113 -9.018 1.040 -16.048 1.00 42.22 H new ATOM 0 HB2 LYS A 113 -10.168 -1.423 -17.394 1.00 41.30 H new ATOM 0 HB3 LYS A 113 -9.681 -0.023 -18.330 1.00 41.30 H new ATOM 0 HG2 LYS A 113 -7.856 -1.573 -16.454 1.00 54.11 H new ATOM 0 HG3 LYS A 113 -7.925 -1.796 -18.190 1.00 54.11 H new ATOM 0 HD2 LYS A 113 -7.269 0.878 -16.880 1.00 45.21 H new ATOM 0 HD3 LYS A 113 -6.044 -0.290 -17.334 1.00 45.21 H new ATOM 0 HE2 LYS A 113 -6.168 1.292 -19.128 1.00 72.34 H new ATOM 0 HE3 LYS A 113 -6.913 -0.182 -19.715 1.00 72.34 H new ATOM 0 HZ1 LYS A 113 -8.011 2.267 -19.862 1.00 45.33 H new ATOM 0 HZ2 LYS A 113 -8.881 0.812 -19.952 1.00 45.33 H new ATOM 0 HZ3 LYS A 113 -8.776 1.649 -18.478 1.00 45.33 H new ATOM 1856 N LYS A 114 -12.132 1.036 -15.701 1.00 5.43 N ATOM 1857 CA LYS A 114 -13.387 1.768 -15.885 1.00 12.14 C ATOM 1858 C LYS A 114 -13.195 3.276 -15.655 1.00 53.50 C ATOM 1859 O LYS A 114 -13.325 3.774 -14.537 1.00 25.14 O ATOM 1860 CB LYS A 114 -14.480 1.218 -14.952 1.00 1.44 C ATOM 1861 CG LYS A 114 -14.827 -0.249 -15.204 1.00 44.14 C ATOM 1862 CD LYS A 114 -16.000 -0.738 -14.343 1.00 3.24 C ATOM 1863 CE LYS A 114 -15.650 -0.832 -12.855 1.00 21.44 C ATOM 1864 NZ LYS A 114 -15.586 0.498 -12.189 1.00 14.31 N ATOM 0 H LYS A 114 -12.123 0.420 -14.888 1.00 5.43 H new ATOM 0 HA LYS A 114 -13.705 1.623 -16.917 1.00 12.14 H new ATOM 0 HB2 LYS A 114 -14.153 1.332 -13.918 1.00 1.44 H new ATOM 0 HB3 LYS A 114 -15.381 1.820 -15.069 1.00 1.44 H new ATOM 0 HG2 LYS A 114 -15.074 -0.384 -16.257 1.00 44.14 H new ATOM 0 HG3 LYS A 114 -13.951 -0.865 -15.001 1.00 44.14 H new ATOM 0 HD2 LYS A 114 -16.844 -0.060 -14.470 1.00 3.24 H new ATOM 0 HD3 LYS A 114 -16.321 -1.717 -14.698 1.00 3.24 H new ATOM 0 HE2 LYS A 114 -16.393 -1.450 -12.351 1.00 21.44 H new ATOM 0 HE3 LYS A 114 -14.689 -1.335 -12.744 1.00 21.44 H new ATOM 0 HZ1 LYS A 114 -14.592 0.781 -12.073 1.00 14.31 H new ATOM 0 HZ2 LYS A 114 -16.080 1.203 -12.773 1.00 14.31 H new ATOM 0 HZ3 LYS A 114 -16.041 0.441 -11.256 1.00 14.31 H new ATOM 1878 N TRP A 115 -12.863 3.988 -16.728 1.00 23.43 N ATOM 1879 CA TRP A 115 -12.687 5.448 -16.690 1.00 13.54 C ATOM 1880 C TRP A 115 -14.027 6.185 -16.516 1.00 34.20 C ATOM 1881 O TRP A 115 -14.067 7.413 -16.404 1.00 43.25 O ATOM 1882 CB TRP A 115 -11.980 5.919 -17.973 1.00 44.41 C ATOM 1883 CG TRP A 115 -12.616 5.407 -19.240 1.00 35.34 C ATOM 1884 CD1 TRP A 115 -12.353 4.220 -19.866 1.00 23.13 C ATOM 1885 CD2 TRP A 115 -13.614 6.064 -20.034 1.00 45.22 C ATOM 1886 NE1 TRP A 115 -13.126 4.100 -20.995 1.00 42.10 N ATOM 1887 CE2 TRP A 115 -13.906 5.218 -21.122 1.00 24.24 C ATOM 1888 CE3 TRP A 115 -14.288 7.285 -19.932 1.00 1.41 C ATOM 1889 CZ2 TRP A 115 -14.841 5.554 -22.099 1.00 33.43 C ATOM 1890 CZ3 TRP A 115 -15.216 7.617 -20.903 1.00 73.14 C ATOM 1891 CH2 TRP A 115 -15.485 6.756 -21.974 1.00 10.03 C ATOM 0 H TRP A 115 -12.707 3.577 -17.648 1.00 23.43 H new ATOM 0 HA TRP A 115 -12.071 5.689 -15.824 1.00 13.54 H new ATOM 0 HB2 TRP A 115 -11.975 7.009 -17.995 1.00 44.41 H new ATOM 0 HB3 TRP A 115 -10.940 5.596 -17.943 1.00 44.41 H new ATOM 0 HD1 TRP A 115 -11.641 3.484 -19.523 1.00 23.13 H new ATOM 0 HE1 TRP A 115 -13.120 3.306 -21.635 1.00 42.10 H new ATOM 0 HE3 TRP A 115 -14.088 7.957 -19.110 1.00 1.41 H new ATOM 0 HZ2 TRP A 115 -15.050 4.890 -22.925 1.00 33.43 H new ATOM 0 HZ3 TRP A 115 -15.743 8.557 -20.834 1.00 73.14 H new ATOM 0 HH2 TRP A 115 -16.215 7.046 -22.716 1.00 10.03 H new ATOM 1902 N ILE A 116 -15.119 5.424 -16.496 1.00 23.13 N ATOM 1903 CA ILE A 116 -16.472 5.971 -16.317 1.00 42.44 C ATOM 1904 C ILE A 116 -16.820 6.193 -14.825 1.00 2.34 C ATOM 1905 O ILE A 116 -17.178 7.336 -14.454 1.00 38.08 O ATOM 1906 CB ILE A 116 -17.532 5.050 -16.989 1.00 4.21 C ATOM 1907 CG1 ILE A 116 -17.348 3.586 -16.538 1.00 45.12 C ATOM 1908 CG2 ILE A 116 -17.443 5.161 -18.511 1.00 13.03 C ATOM 1909 CD1 ILE A 116 -18.300 2.606 -17.188 1.00 54.31 C ATOM 1910 OXT ILE A 116 -16.706 5.240 -14.020 1.00 38.08 O ATOM 0 H ILE A 116 -15.096 4.410 -16.603 1.00 23.13 H new ATOM 0 HA ILE A 116 -16.489 6.946 -16.805 1.00 42.44 H new ATOM 0 HB ILE A 116 -18.523 5.379 -16.675 1.00 4.21 H new ATOM 0 HG12 ILE A 116 -16.325 3.278 -16.755 1.00 45.12 H new ATOM 0 HG13 ILE A 116 -17.474 3.533 -15.457 1.00 45.12 H new ATOM 0 HG21 ILE A 116 -18.190 4.512 -18.967 1.00 13.03 H new ATOM 0 HG22 ILE A 116 -17.626 6.192 -18.812 1.00 13.03 H new ATOM 0 HG23 ILE A 116 -16.449 4.858 -18.840 1.00 13.03 H new ATOM 0 HD11 ILE A 116 -18.100 1.602 -16.814 1.00 54.31 H new ATOM 0 HD12 ILE A 116 -19.327 2.884 -16.951 1.00 54.31 H new ATOM 0 HD13 ILE A 116 -18.160 2.625 -18.269 1.00 54.31 H new TER 1922 ILE A 116