USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 691 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc=-0.00269! (180deg=-0.61!) USER MOD Single : A 3 HIS : no HD1:sc= -0.0867 X(o=-0.087,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.35) USER MOD Single : A 5 HIS :FLIP no HE2:sc= 0.0977 F(o=-0.61,f=0.098) USER MOD Single : A 6 HIS : no HD1:sc= -0.0563 X(o=-0.056,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0001) USER MOD Single : A 8 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.01) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= -0.573 K(o=-0.57,f=-2.1!) USER MOD Single : A 12 ASN : amide:sc= -0.535 K(o=-0.54,f=-4.8!) USER MOD Single : A 21 LYS NZ :NH3+ -167:sc=-0.00982 (180deg=-0.193) USER MOD Single : A 23 HIS : no HD1:sc= -0.0443 X(o=-0.044,f=0.00088) USER MOD Single : A 24 SER OG : rot -78:sc= 1.08 USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= -0.0657 (180deg=-0.3) USER MOD Single : A 27 MET CE :methyl 156:sc= -0.735 (180deg=-1.46) USER MOD Single : A 28 ASN : amide:sc= 0.805 K(o=0.8,f=-0.53) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -1.52! C(o=-1.5!,f=-5.7!) USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= 1.22 (180deg=0.866) USER MOD Single : A 42 MET CE :methyl 144:sc= -1.88 (180deg=-2.51!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.891 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 CYS SG : rot -140:sc= 0 USER MOD Single : A 55 THR OG1 : rot 75:sc= 0.756 USER MOD Single : A 59 MET CE :methyl 152:sc= -1.48 (180deg=-3.15!) USER MOD Single : A 60 TYR OH : rot 69:sc= -1.13 USER MOD Single : A 68 HIS : no HD1:sc= -0.305 X(o=-0.31,f=-0.11) USER MOD Single : A 70 THR OG1 : rot -40:sc= 1.01 USER MOD Single : A 71 GLN : amide:sc= -1.89 K(o=-1.9,f=-4.4!) USER MOD Single : A 76 MET CE :methyl -142:sc= -0.165 (180deg=-0.715) USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= 0.924 (180deg=0.888) USER MOD Single : A 82 MET CE :methyl 173:sc= -1.02 (180deg=-1.09) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 84 LYS NZ :NH3+ -115:sc= 1.02 (180deg=0.197) USER MOD Single : A 86 SER OG : rot 4:sc= 0.525 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.400 -16.120 -7.527 1.00 23.24 N ATOM 2 CA MET A 1 23.636 -15.163 -8.373 1.00 32.35 C ATOM 3 C MET A 1 22.768 -15.912 -9.392 1.00 3.11 C ATOM 4 O MET A 1 23.277 -16.416 -10.395 1.00 33.12 O ATOM 5 CB MET A 1 24.596 -14.220 -9.115 1.00 5.31 C ATOM 6 CG MET A 1 25.558 -13.474 -8.201 1.00 50.23 C ATOM 7 SD MET A 1 26.664 -14.587 -7.306 1.00 0.54 S ATOM 8 CE MET A 1 27.677 -13.417 -6.404 1.00 54.02 C ATOM 0 H1 MET A 1 25.332 -15.717 -7.302 1.00 23.24 H new ATOM 0 H2 MET A 1 23.877 -16.298 -6.646 1.00 23.24 H new ATOM 0 H3 MET A 1 24.526 -17.015 -8.042 1.00 23.24 H new ATOM 0 HA MET A 1 22.989 -14.578 -7.719 1.00 32.35 H new ATOM 0 HB2 MET A 1 25.172 -14.799 -9.837 1.00 5.31 H new ATOM 0 HB3 MET A 1 24.012 -13.494 -9.681 1.00 5.31 H new ATOM 0 HG2 MET A 1 26.151 -12.777 -8.794 1.00 50.23 H new ATOM 0 HG3 MET A 1 24.988 -12.880 -7.486 1.00 50.23 H new ATOM 0 HE1 MET A 1 28.409 -13.957 -5.804 1.00 54.02 H new ATOM 0 HE2 MET A 1 28.194 -12.765 -7.108 1.00 54.02 H new ATOM 0 HE3 MET A 1 27.045 -12.816 -5.751 1.00 54.02 H new ATOM 20 N GLY A 2 21.461 -15.980 -9.142 1.00 71.55 N ATOM 21 CA GLY A 2 20.569 -16.723 -10.029 1.00 63.14 C ATOM 22 C GLY A 2 19.223 -16.042 -10.260 1.00 42.23 C ATOM 23 O GLY A 2 18.747 -15.277 -9.418 1.00 10.23 O ATOM 0 H GLY A 2 21.002 -15.537 -8.346 1.00 71.55 H new ATOM 0 HA2 GLY A 2 21.063 -16.865 -10.990 1.00 63.14 H new ATOM 0 HA3 GLY A 2 20.397 -17.714 -9.609 1.00 63.14 H new ATOM 27 N HIS A 3 18.611 -16.326 -11.409 1.00 70.43 N ATOM 28 CA HIS A 3 17.287 -15.788 -11.757 1.00 30.52 C ATOM 29 C HIS A 3 16.218 -16.899 -11.775 1.00 51.24 C ATOM 30 O HIS A 3 15.206 -16.793 -12.468 1.00 3.11 O ATOM 31 CB HIS A 3 17.346 -15.087 -13.125 1.00 55.55 C ATOM 32 CG HIS A 3 18.128 -13.807 -13.116 1.00 11.44 C ATOM 33 ND1 HIS A 3 17.637 -12.618 -13.616 1.00 74.42 N ATOM 34 CD2 HIS A 3 19.375 -13.528 -12.663 1.00 22.21 C ATOM 35 CE1 HIS A 3 18.540 -11.672 -13.467 1.00 2.22 C ATOM 36 NE2 HIS A 3 19.602 -12.195 -12.894 1.00 62.44 N ATOM 0 H HIS A 3 19.012 -16.932 -12.125 1.00 70.43 H new ATOM 0 HA HIS A 3 17.005 -15.063 -10.993 1.00 30.52 H new ATOM 0 HB2 HIS A 3 17.789 -15.767 -13.853 1.00 55.55 H new ATOM 0 HB3 HIS A 3 16.330 -14.879 -13.460 1.00 55.55 H new ATOM 0 HD2 HIS A 3 20.062 -14.225 -12.206 1.00 22.21 H new ATOM 0 HE1 HIS A 3 18.428 -10.640 -13.765 1.00 2.22 H new ATOM 0 HE2 HIS A 3 20.457 -11.691 -12.659 1.00 62.44 H new ATOM 45 N HIS A 4 16.434 -17.942 -10.975 1.00 5.02 N ATOM 46 CA HIS A 4 15.509 -19.088 -10.901 1.00 21.44 C ATOM 47 C HIS A 4 14.253 -18.761 -10.065 1.00 12.43 C ATOM 48 O HIS A 4 13.845 -19.535 -9.198 1.00 4.13 O ATOM 49 CB HIS A 4 16.242 -20.307 -10.319 1.00 51.41 C ATOM 50 CG HIS A 4 16.897 -20.059 -8.988 1.00 15.42 C ATOM 51 ND1 HIS A 4 18.230 -19.736 -8.853 1.00 33.33 N ATOM 52 CD2 HIS A 4 16.397 -20.092 -7.727 1.00 22.44 C ATOM 53 CE1 HIS A 4 18.520 -19.583 -7.576 1.00 1.11 C ATOM 54 NE2 HIS A 4 17.427 -19.792 -6.871 1.00 13.42 N ATOM 0 H HIS A 4 17.245 -18.023 -10.362 1.00 5.02 H new ATOM 0 HA HIS A 4 15.171 -19.316 -11.912 1.00 21.44 H new ATOM 0 HB2 HIS A 4 15.532 -21.127 -10.214 1.00 51.41 H new ATOM 0 HB3 HIS A 4 17.002 -20.633 -11.029 1.00 51.41 H new ATOM 0 HD2 HIS A 4 15.377 -20.313 -7.448 1.00 22.44 H new ATOM 0 HE1 HIS A 4 19.490 -19.329 -7.175 1.00 1.11 H new ATOM 0 HE2 HIS A 4 17.358 -19.739 -5.855 1.00 13.42 H new ATOM 63 N HIS A 5 13.634 -17.621 -10.358 1.00 40.40 N ATOM 64 CA HIS A 5 12.455 -17.148 -9.622 1.00 20.41 C ATOM 65 C HIS A 5 11.238 -18.075 -9.818 1.00 0.01 C ATOM 66 O HIS A 5 11.097 -18.720 -10.858 1.00 33.15 O ATOM 67 CB HIS A 5 12.091 -15.731 -10.085 1.00 42.25 C ATOM 68 CG HIS A 5 11.558 -15.673 -11.490 1.00 52.13 C ATOM 69 ND1 HIS A 5 12.104 -16.052 -12.672 1.00 32.43 N flip ATOM 70 CD2 HIS A 5 10.312 -15.175 -11.795 1.00 64.15 C flip ATOM 71 CE1 HIS A 5 11.183 -15.778 -13.650 1.00 10.22 C flip ATOM 72 NE2 HIS A 5 10.113 -15.251 -13.095 1.00 75.12 N flip ATOM 0 H HIS A 5 13.931 -16.998 -11.109 1.00 40.40 H new ATOM 0 HA HIS A 5 12.709 -17.148 -8.562 1.00 20.41 H new ATOM 0 HB2 HIS A 5 11.346 -15.316 -9.406 1.00 42.25 H new ATOM 0 HB3 HIS A 5 12.975 -15.097 -10.014 1.00 42.25 H new ATOM 0 HD1 HIS A 5 13.027 -16.464 -12.808 1.00 32.43 H new ATOM 0 HD2 HIS A 5 9.606 -14.782 -11.079 1.00 64.15 H new ATOM 0 HE1 HIS A 5 11.315 -15.965 -14.706 1.00 10.22 H new ATOM 81 N HIS A 6 10.362 -18.130 -8.817 1.00 33.33 N ATOM 82 CA HIS A 6 9.108 -18.889 -8.910 1.00 4.14 C ATOM 83 C HIS A 6 7.913 -17.995 -8.546 1.00 44.14 C ATOM 84 O HIS A 6 8.071 -16.989 -7.857 1.00 53.35 O ATOM 85 CB HIS A 6 9.152 -20.118 -7.987 1.00 23.11 C ATOM 86 CG HIS A 6 10.212 -21.113 -8.362 1.00 34.42 C ATOM 87 ND1 HIS A 6 9.956 -22.232 -9.125 1.00 44.32 N ATOM 88 CD2 HIS A 6 11.538 -21.152 -8.083 1.00 73.44 C ATOM 89 CE1 HIS A 6 11.071 -22.911 -9.299 1.00 41.31 C ATOM 90 NE2 HIS A 6 12.046 -22.280 -8.680 1.00 74.44 N ATOM 0 H HIS A 6 10.496 -17.655 -7.924 1.00 33.33 H new ATOM 0 HA HIS A 6 8.989 -19.231 -9.938 1.00 4.14 H new ATOM 0 HB2 HIS A 6 9.322 -19.787 -6.963 1.00 23.11 H new ATOM 0 HB3 HIS A 6 8.180 -20.611 -8.005 1.00 23.11 H new ATOM 0 HD2 HIS A 6 12.092 -20.431 -7.500 1.00 73.44 H new ATOM 0 HE1 HIS A 6 11.169 -23.831 -9.856 1.00 41.31 H new ATOM 0 HE2 HIS A 6 13.020 -22.580 -8.649 1.00 74.44 H new ATOM 99 N HIS A 7 6.724 -18.355 -9.015 1.00 13.11 N ATOM 100 CA HIS A 7 5.518 -17.568 -8.733 1.00 42.45 C ATOM 101 C HIS A 7 5.183 -17.557 -7.230 1.00 30.32 C ATOM 102 O HIS A 7 4.916 -18.602 -6.631 1.00 61.04 O ATOM 103 CB HIS A 7 4.328 -18.106 -9.536 1.00 3.42 C ATOM 104 CG HIS A 7 4.468 -17.908 -11.016 1.00 62.00 C ATOM 105 ND1 HIS A 7 4.843 -18.911 -11.880 1.00 10.40 N ATOM 106 CD2 HIS A 7 4.280 -16.808 -11.785 1.00 21.31 C ATOM 107 CE1 HIS A 7 4.880 -18.443 -13.108 1.00 21.04 C ATOM 108 NE2 HIS A 7 4.542 -17.171 -13.082 1.00 25.33 N ATOM 0 H HIS A 7 6.564 -19.182 -9.590 1.00 13.11 H new ATOM 0 HA HIS A 7 5.719 -16.541 -9.037 1.00 42.45 H new ATOM 0 HB2 HIS A 7 4.211 -19.170 -9.329 1.00 3.42 H new ATOM 0 HB3 HIS A 7 3.417 -17.613 -9.196 1.00 3.42 H new ATOM 0 HD2 HIS A 7 3.980 -15.829 -11.441 1.00 21.31 H new ATOM 0 HE1 HIS A 7 5.144 -19.007 -13.990 1.00 21.04 H new ATOM 0 HE2 HIS A 7 4.484 -16.556 -13.893 1.00 25.33 H new ATOM 117 N HIS A 8 5.192 -16.368 -6.632 1.00 11.52 N ATOM 118 CA HIS A 8 4.909 -16.214 -5.201 1.00 31.21 C ATOM 119 C HIS A 8 3.394 -16.187 -4.936 1.00 4.35 C ATOM 120 O HIS A 8 2.803 -15.129 -4.714 1.00 15.25 O ATOM 121 CB HIS A 8 5.575 -14.937 -4.658 1.00 54.41 C ATOM 122 CG HIS A 8 7.067 -14.925 -4.823 1.00 1.23 C ATOM 123 ND1 HIS A 8 7.943 -15.075 -3.771 1.00 2.53 N ATOM 124 CD2 HIS A 8 7.838 -14.784 -5.927 1.00 61.13 C ATOM 125 CE1 HIS A 8 9.180 -15.030 -4.218 1.00 13.01 C ATOM 126 NE2 HIS A 8 9.147 -14.856 -5.522 1.00 51.53 N ATOM 0 H HIS A 8 5.393 -15.492 -7.115 1.00 11.52 H new ATOM 0 HA HIS A 8 5.326 -17.075 -4.678 1.00 31.21 H new ATOM 0 HB2 HIS A 8 5.154 -14.071 -5.169 1.00 54.41 H new ATOM 0 HB3 HIS A 8 5.333 -14.832 -3.600 1.00 54.41 H new ATOM 0 HD2 HIS A 8 7.488 -14.641 -6.939 1.00 61.13 H new ATOM 0 HE1 HIS A 8 10.072 -15.121 -3.616 1.00 13.01 H new ATOM 0 HE2 HIS A 8 9.961 -14.786 -6.132 1.00 51.53 H new ATOM 135 N SER A 9 2.776 -17.364 -4.991 1.00 64.32 N ATOM 136 CA SER A 9 1.333 -17.502 -4.767 1.00 61.10 C ATOM 137 C SER A 9 0.980 -17.334 -3.284 1.00 70.51 C ATOM 138 O SER A 9 1.292 -18.198 -2.460 1.00 51.11 O ATOM 139 CB SER A 9 0.846 -18.868 -5.273 1.00 52.31 C ATOM 140 OG SER A 9 1.113 -19.027 -6.661 1.00 72.31 O ATOM 0 H SER A 9 3.253 -18.244 -5.190 1.00 64.32 H new ATOM 0 HA SER A 9 0.830 -16.712 -5.325 1.00 61.10 H new ATOM 0 HB2 SER A 9 1.337 -19.663 -4.712 1.00 52.31 H new ATOM 0 HB3 SER A 9 -0.225 -18.965 -5.092 1.00 52.31 H new ATOM 0 HG SER A 9 0.795 -19.905 -6.957 1.00 72.31 H new ATOM 146 N HIS A 10 0.336 -16.214 -2.956 1.00 60.35 N ATOM 147 CA HIS A 10 -0.013 -15.876 -1.571 1.00 3.31 C ATOM 148 C HIS A 10 1.227 -15.883 -0.657 1.00 2.24 C ATOM 149 O HIS A 10 1.448 -16.828 0.101 1.00 64.24 O ATOM 150 CB HIS A 10 -1.080 -16.841 -1.029 1.00 21.31 C ATOM 151 CG HIS A 10 -1.501 -16.547 0.382 1.00 64.43 C ATOM 152 ND1 HIS A 10 -0.827 -17.025 1.486 1.00 65.45 N ATOM 153 CD2 HIS A 10 -2.525 -15.809 0.866 1.00 31.43 C ATOM 154 CE1 HIS A 10 -1.418 -16.595 2.581 1.00 74.30 C ATOM 155 NE2 HIS A 10 -2.447 -15.856 2.232 1.00 72.40 N ATOM 0 H HIS A 10 0.041 -15.516 -3.638 1.00 60.35 H new ATOM 0 HA HIS A 10 -0.422 -14.865 -1.574 1.00 3.31 H new ATOM 0 HB2 HIS A 10 -1.956 -16.800 -1.676 1.00 21.31 H new ATOM 0 HB3 HIS A 10 -0.695 -17.859 -1.079 1.00 21.31 H new ATOM 0 HD1 HIS A 10 0.001 -17.620 1.458 1.00 65.45 H new ATOM 0 HD2 HIS A 10 -3.266 -15.281 0.284 1.00 31.43 H new ATOM 0 HE1 HIS A 10 -1.110 -16.812 3.593 1.00 74.30 H new ATOM 164 N PRO A 11 2.074 -14.842 -0.743 1.00 75.22 N ATOM 165 CA PRO A 11 3.243 -14.712 0.138 1.00 64.10 C ATOM 166 C PRO A 11 2.841 -14.432 1.597 1.00 34.43 C ATOM 167 O PRO A 11 1.933 -13.636 1.861 1.00 40.42 O ATOM 168 CB PRO A 11 4.013 -13.526 -0.464 1.00 30.22 C ATOM 169 CG PRO A 11 2.989 -12.737 -1.213 1.00 73.44 C ATOM 170 CD PRO A 11 1.976 -13.734 -1.711 1.00 62.11 C ATOM 0 HA PRO A 11 3.832 -15.628 0.184 1.00 64.10 H new ATOM 0 HB2 PRO A 11 4.482 -12.925 0.315 1.00 30.22 H new ATOM 0 HB3 PRO A 11 4.809 -13.868 -1.126 1.00 30.22 H new ATOM 0 HG2 PRO A 11 2.520 -11.994 -0.567 1.00 73.44 H new ATOM 0 HG3 PRO A 11 3.444 -12.196 -2.043 1.00 73.44 H new ATOM 0 HD2 PRO A 11 0.973 -13.309 -1.733 1.00 62.11 H new ATOM 0 HD3 PRO A 11 2.204 -14.065 -2.724 1.00 62.11 H new ATOM 178 N ASN A 12 3.514 -15.099 2.536 1.00 72.34 N ATOM 179 CA ASN A 12 3.247 -14.925 3.971 1.00 53.10 C ATOM 180 C ASN A 12 3.512 -13.478 4.427 1.00 55.41 C ATOM 181 O ASN A 12 4.052 -12.673 3.669 1.00 61.31 O ATOM 182 CB ASN A 12 4.108 -15.900 4.783 1.00 42.04 C ATOM 183 CG ASN A 12 3.868 -17.350 4.398 1.00 52.34 C ATOM 184 OD1 ASN A 12 3.559 -17.661 3.253 1.00 22.53 O ATOM 185 ND2 ASN A 12 3.998 -18.248 5.350 1.00 44.11 N ATOM 0 H ASN A 12 4.254 -15.770 2.330 1.00 72.34 H new ATOM 0 HA ASN A 12 2.192 -15.139 4.145 1.00 53.10 H new ATOM 0 HB2 ASN A 12 5.161 -15.658 4.636 1.00 42.04 H new ATOM 0 HB3 ASN A 12 3.896 -15.770 5.844 1.00 42.04 H new ATOM 0 HD21 ASN A 12 3.841 -19.235 5.145 1.00 44.11 H new ATOM 0 HD22 ASN A 12 4.256 -17.958 6.293 1.00 44.11 H new ATOM 192 N GLU A 13 3.153 -13.162 5.677 1.00 14.43 N ATOM 193 CA GLU A 13 3.234 -11.785 6.193 1.00 13.20 C ATOM 194 C GLU A 13 4.604 -11.141 5.914 1.00 70.23 C ATOM 195 O GLU A 13 4.688 -10.111 5.246 1.00 34.13 O ATOM 196 CB GLU A 13 2.945 -11.760 7.702 1.00 31.12 C ATOM 197 CG GLU A 13 2.936 -10.357 8.305 1.00 24.35 C ATOM 198 CD GLU A 13 2.628 -10.362 9.793 1.00 32.14 C ATOM 199 OE1 GLU A 13 1.466 -10.633 10.162 1.00 20.04 O ATOM 200 OE2 GLU A 13 3.546 -10.110 10.604 1.00 13.41 O ATOM 0 H GLU A 13 2.803 -13.841 6.353 1.00 14.43 H new ATOM 0 HA GLU A 13 2.479 -11.201 5.667 1.00 13.20 H new ATOM 0 HB2 GLU A 13 1.979 -12.230 7.885 1.00 31.12 H new ATOM 0 HB3 GLU A 13 3.695 -12.361 8.216 1.00 31.12 H new ATOM 0 HG2 GLU A 13 3.906 -9.889 8.140 1.00 24.35 H new ATOM 0 HG3 GLU A 13 2.196 -9.748 7.787 1.00 24.35 H new ATOM 207 N GLU A 14 5.673 -11.768 6.405 1.00 11.12 N ATOM 208 CA GLU A 14 7.036 -11.238 6.237 1.00 42.43 C ATOM 209 C GLU A 14 7.401 -11.078 4.750 1.00 42.51 C ATOM 210 O GLU A 14 7.991 -10.071 4.347 1.00 22.22 O ATOM 211 CB GLU A 14 8.070 -12.155 6.917 1.00 52.30 C ATOM 212 CG GLU A 14 7.870 -12.349 8.425 1.00 42.05 C ATOM 213 CD GLU A 14 6.730 -13.295 8.781 1.00 61.22 C ATOM 214 OE1 GLU A 14 6.312 -14.103 7.920 1.00 63.53 O ATOM 215 OE2 GLU A 14 6.253 -13.248 9.930 1.00 25.21 O ATOM 0 H GLU A 14 5.626 -12.645 6.924 1.00 11.12 H new ATOM 0 HA GLU A 14 7.056 -10.256 6.710 1.00 42.43 H new ATOM 0 HB2 GLU A 14 8.042 -13.131 6.433 1.00 52.30 H new ATOM 0 HB3 GLU A 14 9.065 -11.744 6.747 1.00 52.30 H new ATOM 0 HG2 GLU A 14 8.795 -12.731 8.858 1.00 42.05 H new ATOM 0 HG3 GLU A 14 7.680 -11.379 8.884 1.00 42.05 H new ATOM 222 N ALA A 15 7.036 -12.076 3.944 1.00 52.12 N ATOM 223 CA ALA A 15 7.361 -12.090 2.512 1.00 74.42 C ATOM 224 C ALA A 15 6.625 -10.983 1.737 1.00 72.34 C ATOM 225 O ALA A 15 7.234 -10.243 0.961 1.00 74.02 O ATOM 226 CB ALA A 15 7.033 -13.458 1.919 1.00 32.25 C ATOM 0 H ALA A 15 6.511 -12.892 4.259 1.00 52.12 H new ATOM 0 HA ALA A 15 8.429 -11.895 2.415 1.00 74.42 H new ATOM 0 HB1 ALA A 15 7.276 -13.462 0.857 1.00 32.25 H new ATOM 0 HB2 ALA A 15 7.617 -14.225 2.428 1.00 32.25 H new ATOM 0 HB3 ALA A 15 5.971 -13.666 2.049 1.00 32.25 H new ATOM 232 N ARG A 16 5.313 -10.878 1.942 1.00 22.32 N ATOM 233 CA ARG A 16 4.504 -9.871 1.249 1.00 73.41 C ATOM 234 C ARG A 16 4.800 -8.460 1.774 1.00 21.42 C ATOM 235 O ARG A 16 4.840 -7.500 1.008 1.00 73.42 O ATOM 236 CB ARG A 16 3.007 -10.203 1.367 1.00 74.20 C ATOM 237 CG ARG A 16 2.432 -10.106 2.778 1.00 1.15 C ATOM 238 CD ARG A 16 1.026 -10.698 2.844 1.00 32.34 C ATOM 239 NE ARG A 16 0.165 -10.185 1.775 1.00 73.53 N ATOM 240 CZ ARG A 16 -0.295 -10.913 0.788 1.00 14.45 C ATOM 241 NH1 ARG A 16 -0.037 -12.181 0.718 1.00 21.23 N ATOM 242 NH2 ARG A 16 -1.021 -10.369 -0.133 1.00 0.23 N ATOM 0 H ARG A 16 4.787 -11.475 2.580 1.00 22.32 H new ATOM 0 HA ARG A 16 4.775 -9.891 0.193 1.00 73.41 H new ATOM 0 HB2 ARG A 16 2.449 -9.529 0.717 1.00 74.20 H new ATOM 0 HB3 ARG A 16 2.844 -11.214 0.994 1.00 74.20 H new ATOM 0 HG2 ARG A 16 3.084 -10.632 3.476 1.00 1.15 H new ATOM 0 HG3 ARG A 16 2.405 -9.062 3.091 1.00 1.15 H new ATOM 0 HD2 ARG A 16 1.086 -11.784 2.772 1.00 32.34 H new ATOM 0 HD3 ARG A 16 0.580 -10.467 3.811 1.00 32.34 H new ATOM 0 HE ARG A 16 -0.092 -9.198 1.801 1.00 73.53 H new ATOM 0 HH11 ARG A 16 0.532 -12.626 1.438 1.00 21.23 H new ATOM 0 HH12 ARG A 16 -0.403 -12.734 -0.057 1.00 21.23 H new ATOM 0 HH21 ARG A 16 -1.236 -9.373 -0.091 1.00 0.23 H new ATOM 0 HH22 ARG A 16 -1.379 -10.936 -0.902 1.00 0.23 H new ATOM 256 N LEU A 17 5.028 -8.345 3.083 1.00 72.13 N ATOM 257 CA LEU A 17 5.421 -7.071 3.697 1.00 41.01 C ATOM 258 C LEU A 17 6.699 -6.528 3.038 1.00 2.25 C ATOM 259 O LEU A 17 6.848 -5.321 2.828 1.00 74.03 O ATOM 260 CB LEU A 17 5.636 -7.272 5.204 1.00 51.40 C ATOM 261 CG LEU A 17 6.061 -6.026 5.998 1.00 11.14 C ATOM 262 CD1 LEU A 17 5.037 -4.908 5.843 1.00 0.11 C ATOM 263 CD2 LEU A 17 6.259 -6.372 7.473 1.00 4.14 C ATOM 0 H LEU A 17 4.948 -9.119 3.742 1.00 72.13 H new ATOM 0 HA LEU A 17 4.626 -6.341 3.545 1.00 41.01 H new ATOM 0 HB2 LEU A 17 4.711 -7.654 5.635 1.00 51.40 H new ATOM 0 HB3 LEU A 17 6.394 -8.043 5.343 1.00 51.40 H new ATOM 0 HG LEU A 17 7.011 -5.674 5.595 1.00 11.14 H new ATOM 0 HD11 LEU A 17 5.360 -4.037 6.414 1.00 0.11 H new ATOM 0 HD12 LEU A 17 4.948 -4.639 4.790 1.00 0.11 H new ATOM 0 HD13 LEU A 17 4.070 -5.247 6.214 1.00 0.11 H new ATOM 0 HD21 LEU A 17 6.560 -5.478 8.019 1.00 4.14 H new ATOM 0 HD22 LEU A 17 5.325 -6.753 7.886 1.00 4.14 H new ATOM 0 HD23 LEU A 17 7.034 -7.133 7.567 1.00 4.14 H new ATOM 275 N ASP A 18 7.610 -7.440 2.706 1.00 65.24 N ATOM 276 CA ASP A 18 8.830 -7.102 1.969 1.00 22.42 C ATOM 277 C ASP A 18 8.499 -6.481 0.598 1.00 2.11 C ATOM 278 O ASP A 18 9.132 -5.510 0.174 1.00 52.41 O ATOM 279 CB ASP A 18 9.684 -8.365 1.798 1.00 62.32 C ATOM 280 CG ASP A 18 10.966 -8.115 1.024 1.00 43.14 C ATOM 281 OD1 ASP A 18 11.880 -7.466 1.573 1.00 34.44 O ATOM 282 OD2 ASP A 18 11.074 -8.588 -0.129 1.00 13.54 O ATOM 0 H ASP A 18 7.526 -8.430 2.938 1.00 65.24 H new ATOM 0 HA ASP A 18 9.390 -6.359 2.537 1.00 22.42 H new ATOM 0 HB2 ASP A 18 9.932 -8.765 2.781 1.00 62.32 H new ATOM 0 HB3 ASP A 18 9.098 -9.126 1.283 1.00 62.32 H new ATOM 287 N ILE A 19 7.491 -7.041 -0.079 1.00 21.10 N ATOM 288 CA ILE A 19 7.054 -6.543 -1.393 1.00 35.32 C ATOM 289 C ILE A 19 6.575 -5.082 -1.308 1.00 14.14 C ATOM 290 O ILE A 19 6.957 -4.241 -2.136 1.00 33.45 O ATOM 291 CB ILE A 19 5.920 -7.423 -1.984 1.00 54.04 C ATOM 292 CG1 ILE A 19 6.376 -8.890 -2.080 1.00 75.42 C ATOM 293 CG2 ILE A 19 5.483 -6.897 -3.354 1.00 54.22 C ATOM 294 CD1 ILE A 19 5.312 -9.836 -2.603 1.00 54.53 C ATOM 0 H ILE A 19 6.959 -7.842 0.261 1.00 21.10 H new ATOM 0 HA ILE A 19 7.920 -6.594 -2.053 1.00 35.32 H new ATOM 0 HB ILE A 19 5.060 -7.374 -1.316 1.00 54.04 H new ATOM 0 HG12 ILE A 19 7.249 -8.946 -2.731 1.00 75.42 H new ATOM 0 HG13 ILE A 19 6.692 -9.226 -1.093 1.00 75.42 H new ATOM 0 HG21 ILE A 19 4.688 -7.529 -3.749 1.00 54.22 H new ATOM 0 HG22 ILE A 19 5.118 -5.875 -3.252 1.00 54.22 H new ATOM 0 HG23 ILE A 19 6.332 -6.912 -4.037 1.00 54.22 H new ATOM 0 HD11 ILE A 19 5.712 -10.849 -2.640 1.00 54.53 H new ATOM 0 HD12 ILE A 19 4.447 -9.812 -1.941 1.00 54.53 H new ATOM 0 HD13 ILE A 19 5.011 -9.528 -3.604 1.00 54.53 H new ATOM 306 N LEU A 20 5.744 -4.776 -0.306 1.00 24.42 N ATOM 307 CA LEU A 20 5.299 -3.395 -0.082 1.00 25.45 C ATOM 308 C LEU A 20 6.502 -2.463 0.101 1.00 0.51 C ATOM 309 O LEU A 20 6.558 -1.393 -0.496 1.00 31.53 O ATOM 310 CB LEU A 20 4.362 -3.273 1.135 1.00 61.55 C ATOM 311 CG LEU A 20 2.933 -3.830 0.945 1.00 65.05 C ATOM 312 CD1 LEU A 20 2.854 -5.303 1.330 1.00 64.02 C ATOM 313 CD2 LEU A 20 1.919 -3.004 1.737 1.00 72.44 C ATOM 0 H LEU A 20 5.369 -5.456 0.356 1.00 24.42 H new ATOM 0 HA LEU A 20 4.737 -3.098 -0.968 1.00 25.45 H new ATOM 0 HB2 LEU A 20 4.823 -3.789 1.977 1.00 61.55 H new ATOM 0 HB3 LEU A 20 4.288 -2.220 1.408 1.00 61.55 H new ATOM 0 HG LEU A 20 2.685 -3.752 -0.113 1.00 65.05 H new ATOM 0 HD11 LEU A 20 1.836 -5.663 1.184 1.00 64.02 H new ATOM 0 HD12 LEU A 20 3.536 -5.880 0.705 1.00 64.02 H new ATOM 0 HD13 LEU A 20 3.134 -5.421 2.377 1.00 64.02 H new ATOM 0 HD21 LEU A 20 0.920 -3.414 1.588 1.00 72.44 H new ATOM 0 HD22 LEU A 20 2.171 -3.037 2.797 1.00 72.44 H new ATOM 0 HD23 LEU A 20 1.942 -1.971 1.391 1.00 72.44 H new ATOM 325 N LYS A 21 7.466 -2.880 0.920 1.00 72.52 N ATOM 326 CA LYS A 21 8.688 -2.092 1.146 1.00 4.34 C ATOM 327 C LYS A 21 9.413 -1.776 -0.175 1.00 73.34 C ATOM 328 O LYS A 21 9.812 -0.636 -0.415 1.00 31.42 O ATOM 329 CB LYS A 21 9.637 -2.840 2.091 1.00 32.24 C ATOM 330 CG LYS A 21 9.074 -3.057 3.492 1.00 64.42 C ATOM 331 CD LYS A 21 9.997 -3.932 4.338 1.00 3.24 C ATOM 332 CE LYS A 21 9.485 -4.079 5.766 1.00 72.43 C ATOM 333 NZ LYS A 21 9.510 -2.787 6.502 1.00 32.13 N ATOM 0 H LYS A 21 7.430 -3.757 1.440 1.00 72.52 H new ATOM 0 HA LYS A 21 8.389 -1.148 1.602 1.00 4.34 H new ATOM 0 HB2 LYS A 21 9.879 -3.809 1.654 1.00 32.24 H new ATOM 0 HB3 LYS A 21 10.570 -2.282 2.168 1.00 32.24 H new ATOM 0 HG2 LYS A 21 8.935 -2.094 3.982 1.00 64.42 H new ATOM 0 HG3 LYS A 21 8.092 -3.524 3.422 1.00 64.42 H new ATOM 0 HD2 LYS A 21 10.084 -4.917 3.880 1.00 3.24 H new ATOM 0 HD3 LYS A 21 10.997 -3.498 4.353 1.00 3.24 H new ATOM 0 HE2 LYS A 21 8.466 -4.466 5.748 1.00 72.43 H new ATOM 0 HE3 LYS A 21 10.095 -4.810 6.296 1.00 72.43 H new ATOM 0 HZ1 LYS A 21 9.368 -2.963 7.517 1.00 32.13 H new ATOM 0 HZ2 LYS A 21 10.429 -2.322 6.356 1.00 32.13 H new ATOM 0 HZ3 LYS A 21 8.750 -2.171 6.148 1.00 32.13 H new ATOM 347 N ILE A 22 9.563 -2.792 -1.028 1.00 75.40 N ATOM 348 CA ILE A 22 10.262 -2.644 -2.315 1.00 1.14 C ATOM 349 C ILE A 22 9.670 -1.509 -3.170 1.00 43.14 C ATOM 350 O ILE A 22 10.405 -0.723 -3.772 1.00 65.02 O ATOM 351 CB ILE A 22 10.221 -3.967 -3.134 1.00 51.43 C ATOM 352 CG1 ILE A 22 10.939 -5.095 -2.375 1.00 22.32 C ATOM 353 CG2 ILE A 22 10.835 -3.776 -4.523 1.00 30.05 C ATOM 354 CD1 ILE A 22 10.869 -6.443 -3.064 1.00 55.43 C ATOM 0 H ILE A 22 9.209 -3.732 -0.853 1.00 75.40 H new ATOM 0 HA ILE A 22 11.295 -2.395 -2.073 1.00 1.14 H new ATOM 0 HB ILE A 22 9.176 -4.249 -3.265 1.00 51.43 H new ATOM 0 HG12 ILE A 22 11.985 -4.821 -2.242 1.00 22.32 H new ATOM 0 HG13 ILE A 22 10.503 -5.184 -1.380 1.00 22.32 H new ATOM 0 HG21 ILE A 22 10.792 -4.717 -5.072 1.00 30.05 H new ATOM 0 HG22 ILE A 22 10.277 -3.013 -5.066 1.00 30.05 H new ATOM 0 HG23 ILE A 22 11.874 -3.462 -4.422 1.00 30.05 H new ATOM 0 HD11 ILE A 22 11.399 -7.185 -2.466 1.00 55.43 H new ATOM 0 HD12 ILE A 22 9.827 -6.742 -3.173 1.00 55.43 H new ATOM 0 HD13 ILE A 22 11.332 -6.373 -4.048 1.00 55.43 H new ATOM 366 N HIS A 23 8.345 -1.438 -3.236 1.00 34.24 N ATOM 367 CA HIS A 23 7.678 -0.391 -4.025 1.00 71.50 C ATOM 368 C HIS A 23 7.528 0.932 -3.248 1.00 72.01 C ATOM 369 O HIS A 23 7.860 2.004 -3.756 1.00 3.33 O ATOM 370 CB HIS A 23 6.311 -0.891 -4.507 1.00 52.43 C ATOM 371 CG HIS A 23 6.414 -2.022 -5.487 1.00 33.23 C ATOM 372 ND1 HIS A 23 6.536 -1.828 -6.844 1.00 42.44 N ATOM 373 CD2 HIS A 23 6.432 -3.364 -5.300 1.00 14.15 C ATOM 374 CE1 HIS A 23 6.625 -2.993 -7.450 1.00 3.35 C ATOM 375 NE2 HIS A 23 6.564 -3.943 -6.538 1.00 43.33 N ATOM 0 H HIS A 23 7.712 -2.081 -2.761 1.00 34.24 H new ATOM 0 HA HIS A 23 8.312 -0.178 -4.885 1.00 71.50 H new ATOM 0 HB2 HIS A 23 5.725 -1.215 -3.647 1.00 52.43 H new ATOM 0 HB3 HIS A 23 5.770 -0.065 -4.969 1.00 52.43 H new ATOM 0 HD2 HIS A 23 6.357 -3.881 -4.355 1.00 14.15 H new ATOM 0 HE1 HIS A 23 6.730 -3.145 -8.514 1.00 3.35 H new ATOM 0 HE2 HIS A 23 6.608 -4.945 -6.722 1.00 43.33 H new ATOM 384 N SER A 24 7.063 0.851 -2.005 1.00 41.31 N ATOM 385 CA SER A 24 6.753 2.051 -1.203 1.00 23.33 C ATOM 386 C SER A 24 8.005 2.867 -0.843 1.00 74.21 C ATOM 387 O SER A 24 7.898 4.027 -0.442 1.00 11.31 O ATOM 388 CB SER A 24 6.010 1.671 0.084 1.00 62.20 C ATOM 389 OG SER A 24 6.833 0.908 0.955 1.00 74.15 O ATOM 0 H SER A 24 6.889 -0.031 -1.522 1.00 41.31 H new ATOM 0 HA SER A 24 6.116 2.676 -1.828 1.00 23.33 H new ATOM 0 HB2 SER A 24 5.679 2.575 0.594 1.00 62.20 H new ATOM 0 HB3 SER A 24 5.116 1.100 -0.166 1.00 62.20 H new ATOM 0 HG SER A 24 6.879 -0.017 0.635 1.00 74.15 H new ATOM 395 N ARG A 25 9.189 2.273 -0.982 1.00 50.12 N ATOM 396 CA ARG A 25 10.442 2.976 -0.670 1.00 73.24 C ATOM 397 C ARG A 25 10.713 4.149 -1.641 1.00 74.02 C ATOM 398 O ARG A 25 11.564 5.003 -1.369 1.00 1.25 O ATOM 399 CB ARG A 25 11.625 1.992 -0.647 1.00 21.01 C ATOM 400 CG ARG A 25 11.832 1.218 -1.944 1.00 34.10 C ATOM 401 CD ARG A 25 12.926 0.162 -1.800 1.00 14.13 C ATOM 402 NE ARG A 25 13.048 -0.679 -2.991 1.00 12.23 N ATOM 403 CZ ARG A 25 13.851 -1.706 -3.089 1.00 22.03 C ATOM 404 NH1 ARG A 25 14.617 -2.049 -2.105 1.00 75.22 N ATOM 405 NH2 ARG A 25 13.893 -2.394 -4.179 1.00 23.41 N ATOM 0 H ARG A 25 9.312 1.314 -1.306 1.00 50.12 H new ATOM 0 HA ARG A 25 10.332 3.409 0.324 1.00 73.24 H new ATOM 0 HB2 ARG A 25 12.536 2.545 -0.420 1.00 21.01 H new ATOM 0 HB3 ARG A 25 11.473 1.281 0.165 1.00 21.01 H new ATOM 0 HG2 ARG A 25 10.898 0.738 -2.235 1.00 34.10 H new ATOM 0 HG3 ARG A 25 12.097 1.910 -2.743 1.00 34.10 H new ATOM 0 HD2 ARG A 25 13.879 0.654 -1.606 1.00 14.13 H new ATOM 0 HD3 ARG A 25 12.710 -0.466 -0.936 1.00 14.13 H new ATOM 0 HE ARG A 25 12.468 -0.449 -3.798 1.00 12.23 H new ATOM 0 HH11 ARG A 25 14.600 -1.515 -1.236 1.00 75.22 H new ATOM 0 HH12 ARG A 25 15.238 -2.853 -2.198 1.00 75.22 H new ATOM 0 HH21 ARG A 25 13.299 -2.137 -4.967 1.00 23.41 H new ATOM 0 HH22 ARG A 25 14.520 -3.195 -4.253 1.00 23.41 H new ATOM 419 N LYS A 26 9.992 4.193 -2.768 1.00 10.20 N ATOM 420 CA LYS A 26 10.073 5.334 -3.701 1.00 22.12 C ATOM 421 C LYS A 26 9.008 6.403 -3.384 1.00 51.10 C ATOM 422 O LYS A 26 8.959 7.456 -4.023 1.00 14.22 O ATOM 423 CB LYS A 26 9.899 4.877 -5.162 1.00 14.11 C ATOM 424 CG LYS A 26 11.075 4.089 -5.742 1.00 14.43 C ATOM 425 CD LYS A 26 11.167 2.677 -5.178 1.00 24.21 C ATOM 426 CE LYS A 26 12.318 1.898 -5.802 1.00 51.42 C ATOM 427 NZ LYS A 26 12.151 1.744 -7.273 1.00 52.43 N ATOM 0 H LYS A 26 9.348 3.458 -3.059 1.00 10.20 H new ATOM 0 HA LYS A 26 11.064 5.769 -3.573 1.00 22.12 H new ATOM 0 HB2 LYS A 26 9.002 4.262 -5.229 1.00 14.11 H new ATOM 0 HB3 LYS A 26 9.730 5.756 -5.783 1.00 14.11 H new ATOM 0 HG2 LYS A 26 10.974 4.038 -6.826 1.00 14.43 H new ATOM 0 HG3 LYS A 26 12.003 4.621 -5.533 1.00 14.43 H new ATOM 0 HD2 LYS A 26 11.302 2.724 -4.097 1.00 24.21 H new ATOM 0 HD3 LYS A 26 10.230 2.150 -5.359 1.00 24.21 H new ATOM 0 HE2 LYS A 26 13.258 2.410 -5.595 1.00 51.42 H new ATOM 0 HE3 LYS A 26 12.383 0.913 -5.339 1.00 51.42 H new ATOM 0 HZ1 LYS A 26 12.811 1.021 -7.623 1.00 52.43 H new ATOM 0 HZ2 LYS A 26 11.175 1.453 -7.483 1.00 52.43 H new ATOM 0 HZ3 LYS A 26 12.350 2.651 -7.742 1.00 52.43 H new ATOM 441 N MET A 27 8.160 6.129 -2.399 1.00 55.12 N ATOM 442 CA MET A 27 7.050 7.023 -2.046 1.00 24.23 C ATOM 443 C MET A 27 7.272 7.685 -0.674 1.00 72.22 C ATOM 444 O MET A 27 7.839 7.079 0.233 1.00 73.44 O ATOM 445 CB MET A 27 5.742 6.216 -2.026 1.00 32.02 C ATOM 446 CG MET A 27 5.441 5.499 -3.339 1.00 33.44 C ATOM 447 SD MET A 27 4.106 4.291 -3.187 1.00 2.30 S ATOM 448 CE MET A 27 2.770 5.318 -2.578 1.00 71.21 C ATOM 0 H MET A 27 8.217 5.289 -1.823 1.00 55.12 H new ATOM 0 HA MET A 27 6.995 7.815 -2.793 1.00 24.23 H new ATOM 0 HB2 MET A 27 5.792 5.480 -1.224 1.00 32.02 H new ATOM 0 HB3 MET A 27 4.916 6.887 -1.791 1.00 32.02 H new ATOM 0 HG2 MET A 27 5.174 6.235 -4.097 1.00 33.44 H new ATOM 0 HG3 MET A 27 6.343 4.995 -3.688 1.00 33.44 H new ATOM 0 HE1 MET A 27 1.814 4.859 -2.831 1.00 71.21 H new ATOM 0 HE2 MET A 27 2.851 5.416 -1.495 1.00 71.21 H new ATOM 0 HE3 MET A 27 2.831 6.305 -3.037 1.00 71.21 H new ATOM 458 N ASN A 28 6.829 8.934 -0.526 1.00 34.40 N ATOM 459 CA ASN A 28 6.871 9.606 0.779 1.00 34.45 C ATOM 460 C ASN A 28 5.873 8.954 1.745 1.00 3.54 C ATOM 461 O ASN A 28 4.672 9.168 1.631 1.00 75.30 O ATOM 462 CB ASN A 28 6.540 11.098 0.643 1.00 4.41 C ATOM 463 CG ASN A 28 7.495 11.843 -0.269 1.00 50.44 C ATOM 464 OD1 ASN A 28 8.656 11.476 -0.418 1.00 41.44 O ATOM 465 ND2 ASN A 28 7.015 12.907 -0.882 1.00 33.32 N ATOM 0 H ASN A 28 6.441 9.498 -1.282 1.00 34.40 H new ATOM 0 HA ASN A 28 7.883 9.504 1.172 1.00 34.45 H new ATOM 0 HB2 ASN A 28 5.525 11.205 0.260 1.00 4.41 H new ATOM 0 HB3 ASN A 28 6.558 11.559 1.631 1.00 4.41 H new ATOM 0 HD21 ASN A 28 7.614 13.452 -1.502 1.00 33.32 H new ATOM 0 HD22 ASN A 28 6.045 13.185 -0.736 1.00 33.32 H new ATOM 472 N LEU A 29 6.365 8.148 2.679 1.00 22.03 N ATOM 473 CA LEU A 29 5.489 7.447 3.626 1.00 65.12 C ATOM 474 C LEU A 29 5.372 8.199 4.956 1.00 73.03 C ATOM 475 O LEU A 29 6.289 8.916 5.363 1.00 31.25 O ATOM 476 CB LEU A 29 6.009 6.028 3.886 1.00 32.45 C ATOM 477 CG LEU A 29 6.113 5.129 2.645 1.00 40.50 C ATOM 478 CD1 LEU A 29 6.608 3.738 3.031 1.00 65.12 C ATOM 479 CD2 LEU A 29 4.769 5.049 1.920 1.00 60.51 C ATOM 0 H LEU A 29 7.360 7.961 2.805 1.00 22.03 H new ATOM 0 HA LEU A 29 4.499 7.398 3.174 1.00 65.12 H new ATOM 0 HB2 LEU A 29 6.994 6.099 4.347 1.00 32.45 H new ATOM 0 HB3 LEU A 29 5.353 5.545 4.610 1.00 32.45 H new ATOM 0 HG LEU A 29 6.838 5.570 1.961 1.00 40.50 H new ATOM 0 HD11 LEU A 29 6.675 3.115 2.139 1.00 65.12 H new ATOM 0 HD12 LEU A 29 7.592 3.817 3.493 1.00 65.12 H new ATOM 0 HD13 LEU A 29 5.911 3.287 3.737 1.00 65.12 H new ATOM 0 HD21 LEU A 29 4.866 4.407 1.044 1.00 60.51 H new ATOM 0 HD22 LEU A 29 4.017 4.635 2.592 1.00 60.51 H new ATOM 0 HD23 LEU A 29 4.465 6.048 1.606 1.00 60.51 H new ATOM 491 N THR A 30 4.233 8.043 5.624 1.00 33.23 N ATOM 492 CA THR A 30 4.050 8.612 6.965 1.00 73.40 C ATOM 493 C THR A 30 4.867 7.832 8.009 1.00 35.45 C ATOM 494 O THR A 30 4.913 6.599 7.988 1.00 2.13 O ATOM 495 CB THR A 30 2.559 8.645 7.388 1.00 14.42 C ATOM 496 OG1 THR A 30 2.424 9.279 8.670 1.00 72.12 O ATOM 497 CG2 THR A 30 1.957 7.243 7.443 1.00 75.42 C ATOM 0 H THR A 30 3.426 7.532 5.266 1.00 33.23 H new ATOM 0 HA THR A 30 4.410 9.640 6.920 1.00 73.40 H new ATOM 0 HB THR A 30 2.016 9.217 6.636 1.00 14.42 H new ATOM 0 HG1 THR A 30 1.479 9.297 8.928 1.00 72.12 H new ATOM 0 HG21 THR A 30 0.911 7.308 7.743 1.00 75.42 H new ATOM 0 HG22 THR A 30 2.024 6.779 6.459 1.00 75.42 H new ATOM 0 HG23 THR A 30 2.505 6.640 8.166 1.00 75.42 H new ATOM 505 N ARG A 31 5.525 8.556 8.907 1.00 43.23 N ATOM 506 CA ARG A 31 6.407 7.940 9.907 1.00 25.23 C ATOM 507 C ARG A 31 5.635 7.034 10.882 1.00 0.30 C ATOM 508 O ARG A 31 4.743 7.490 11.599 1.00 15.13 O ATOM 509 CB ARG A 31 7.163 9.034 10.673 1.00 73.02 C ATOM 510 CG ARG A 31 8.121 9.837 9.795 1.00 20.21 C ATOM 511 CD ARG A 31 8.759 10.997 10.552 1.00 61.32 C ATOM 512 NE ARG A 31 7.802 12.062 10.841 1.00 50.12 N ATOM 513 CZ ARG A 31 7.779 12.753 11.952 1.00 61.20 C ATOM 514 NH1 ARG A 31 8.585 12.466 12.925 1.00 63.24 N ATOM 515 NH2 ARG A 31 6.942 13.727 12.086 1.00 22.43 N ATOM 0 H ARG A 31 5.468 9.573 8.968 1.00 43.23 H new ATOM 0 HA ARG A 31 7.119 7.305 9.379 1.00 25.23 H new ATOM 0 HB2 ARG A 31 6.442 9.714 11.127 1.00 73.02 H new ATOM 0 HB3 ARG A 31 7.725 8.575 11.486 1.00 73.02 H new ATOM 0 HG2 ARG A 31 8.903 9.179 9.416 1.00 20.21 H new ATOM 0 HG3 ARG A 31 7.582 10.222 8.930 1.00 20.21 H new ATOM 0 HD2 ARG A 31 9.183 10.629 11.486 1.00 61.32 H new ATOM 0 HD3 ARG A 31 9.584 11.402 9.965 1.00 61.32 H new ATOM 0 HE ARG A 31 7.105 12.282 10.129 1.00 50.12 H new ATOM 0 HH11 ARG A 31 9.246 11.695 12.829 1.00 63.24 H new ATOM 0 HH12 ARG A 31 8.559 13.011 13.787 1.00 63.24 H new ATOM 0 HH21 ARG A 31 6.301 13.956 11.327 1.00 22.43 H new ATOM 0 HH22 ARG A 31 6.922 14.267 12.951 1.00 22.43 H new ATOM 529 N GLY A 32 5.984 5.745 10.898 1.00 71.35 N ATOM 530 CA GLY A 32 5.319 4.791 11.783 1.00 73.20 C ATOM 531 C GLY A 32 4.119 4.099 11.135 1.00 13.12 C ATOM 532 O GLY A 32 3.282 3.518 11.828 1.00 73.13 O ATOM 0 H GLY A 32 6.717 5.343 10.313 1.00 71.35 H new ATOM 0 HA2 GLY A 32 6.039 4.035 12.098 1.00 73.20 H new ATOM 0 HA3 GLY A 32 4.988 5.310 12.682 1.00 73.20 H new ATOM 536 N ILE A 33 4.036 4.167 9.805 1.00 3.43 N ATOM 537 CA ILE A 33 2.947 3.534 9.045 1.00 4.01 C ATOM 538 C ILE A 33 2.881 2.010 9.282 1.00 34.22 C ATOM 539 O ILE A 33 3.884 1.305 9.161 1.00 5.44 O ATOM 540 CB ILE A 33 3.107 3.821 7.526 1.00 5.54 C ATOM 541 CG1 ILE A 33 1.989 3.147 6.715 1.00 42.24 C ATOM 542 CG2 ILE A 33 4.483 3.378 7.025 1.00 41.05 C ATOM 543 CD1 ILE A 33 2.038 3.464 5.234 1.00 34.13 C ATOM 0 H ILE A 33 4.715 4.658 9.224 1.00 3.43 H new ATOM 0 HA ILE A 33 2.014 3.968 9.403 1.00 4.01 H new ATOM 0 HB ILE A 33 3.026 4.898 7.382 1.00 5.54 H new ATOM 0 HG12 ILE A 33 2.055 2.067 6.849 1.00 42.24 H new ATOM 0 HG13 ILE A 33 1.024 3.460 7.113 1.00 42.24 H new ATOM 0 HG21 ILE A 33 4.568 3.590 5.959 1.00 41.05 H new ATOM 0 HG22 ILE A 33 5.259 3.920 7.566 1.00 41.05 H new ATOM 0 HG23 ILE A 33 4.604 2.308 7.192 1.00 41.05 H new ATOM 0 HD11 ILE A 33 1.220 2.954 4.726 1.00 34.13 H new ATOM 0 HD12 ILE A 33 1.941 4.540 5.089 1.00 34.13 H new ATOM 0 HD13 ILE A 33 2.988 3.126 4.821 1.00 34.13 H new ATOM 555 N ASN A 34 1.693 1.505 9.623 1.00 42.14 N ATOM 556 CA ASN A 34 1.513 0.070 9.873 1.00 21.01 C ATOM 557 C ASN A 34 1.112 -0.679 8.591 1.00 64.24 C ATOM 558 O ASN A 34 -0.066 -0.741 8.234 1.00 24.53 O ATOM 559 CB ASN A 34 0.457 -0.169 10.963 1.00 73.21 C ATOM 560 CG ASN A 34 0.372 -1.627 11.370 1.00 23.01 C ATOM 561 OD1 ASN A 34 1.360 -2.350 11.338 1.00 61.11 O ATOM 562 ND2 ASN A 34 -0.806 -2.074 11.754 1.00 42.41 N ATOM 0 H ASN A 34 0.846 2.063 9.732 1.00 42.14 H new ATOM 0 HA ASN A 34 2.472 -0.319 10.215 1.00 21.01 H new ATOM 0 HB2 ASN A 34 0.696 0.437 11.837 1.00 73.21 H new ATOM 0 HB3 ASN A 34 -0.516 0.163 10.602 1.00 73.21 H new ATOM 0 HD21 ASN A 34 -0.915 -3.048 12.036 1.00 42.41 H new ATOM 0 HD22 ASN A 34 -1.610 -1.446 11.769 1.00 42.41 H new ATOM 569 N LEU A 35 2.097 -1.241 7.902 1.00 1.50 N ATOM 570 CA LEU A 35 1.844 -2.045 6.702 1.00 12.00 C ATOM 571 C LEU A 35 1.411 -3.473 7.077 1.00 62.40 C ATOM 572 O LEU A 35 0.920 -4.229 6.234 1.00 13.20 O ATOM 573 CB LEU A 35 3.094 -2.077 5.809 1.00 61.33 C ATOM 574 CG LEU A 35 3.535 -0.716 5.244 1.00 74.23 C ATOM 575 CD1 LEU A 35 4.820 -0.857 4.430 1.00 72.45 C ATOM 576 CD2 LEU A 35 2.424 -0.101 4.395 1.00 54.33 C ATOM 0 H LEU A 35 3.083 -1.157 8.150 1.00 1.50 H new ATOM 0 HA LEU A 35 1.029 -1.582 6.146 1.00 12.00 H new ATOM 0 HB2 LEU A 35 3.919 -2.498 6.383 1.00 61.33 H new ATOM 0 HB3 LEU A 35 2.907 -2.754 4.976 1.00 61.33 H new ATOM 0 HG LEU A 35 3.736 -0.049 6.082 1.00 74.23 H new ATOM 0 HD11 LEU A 35 5.113 0.118 4.040 1.00 72.45 H new ATOM 0 HD12 LEU A 35 5.614 -1.246 5.068 1.00 72.45 H new ATOM 0 HD13 LEU A 35 4.652 -1.544 3.600 1.00 72.45 H new ATOM 0 HD21 LEU A 35 2.755 0.861 4.004 1.00 54.33 H new ATOM 0 HD22 LEU A 35 2.188 -0.768 3.566 1.00 54.33 H new ATOM 0 HD23 LEU A 35 1.535 0.043 5.009 1.00 54.33 H new ATOM 588 N ARG A 36 1.593 -3.831 8.350 1.00 1.20 N ATOM 589 CA ARG A 36 1.153 -5.130 8.867 1.00 24.44 C ATOM 590 C ARG A 36 -0.360 -5.317 8.678 1.00 74.01 C ATOM 591 O ARG A 36 -0.808 -6.371 8.223 1.00 53.31 O ATOM 592 CB ARG A 36 1.528 -5.263 10.351 1.00 62.23 C ATOM 593 CG ARG A 36 1.092 -6.578 10.991 1.00 3.23 C ATOM 594 CD ARG A 36 1.521 -6.662 12.451 1.00 0.22 C ATOM 595 NE ARG A 36 1.028 -7.874 13.100 1.00 73.41 N ATOM 596 CZ ARG A 36 1.497 -8.351 14.219 1.00 33.15 C ATOM 597 NH1 ARG A 36 2.484 -7.767 14.819 1.00 72.23 N ATOM 598 NH2 ARG A 36 0.987 -9.426 14.729 1.00 33.52 N ATOM 0 H ARG A 36 2.044 -3.237 9.045 1.00 1.20 H new ATOM 0 HA ARG A 36 1.661 -5.912 8.302 1.00 24.44 H new ATOM 0 HB2 ARG A 36 2.609 -5.164 10.451 1.00 62.23 H new ATOM 0 HB3 ARG A 36 1.080 -4.437 10.903 1.00 62.23 H new ATOM 0 HG2 ARG A 36 0.008 -6.674 10.924 1.00 3.23 H new ATOM 0 HG3 ARG A 36 1.521 -7.413 10.437 1.00 3.23 H new ATOM 0 HD2 ARG A 36 2.609 -6.636 12.511 1.00 0.22 H new ATOM 0 HD3 ARG A 36 1.152 -5.788 12.988 1.00 0.22 H new ATOM 0 HE ARG A 36 0.267 -8.381 12.648 1.00 73.41 H new ATOM 0 HH11 ARG A 36 2.901 -6.927 14.417 1.00 72.23 H new ATOM 0 HH12 ARG A 36 2.845 -8.146 15.694 1.00 72.23 H new ATOM 0 HH21 ARG A 36 0.218 -9.900 14.255 1.00 33.52 H new ATOM 0 HH22 ARG A 36 1.354 -9.799 15.604 1.00 33.52 H new ATOM 612 N LYS A 37 -1.147 -4.292 9.021 1.00 65.22 N ATOM 613 CA LYS A 37 -2.593 -4.317 8.758 1.00 70.42 C ATOM 614 C LYS A 37 -2.870 -4.566 7.271 1.00 44.01 C ATOM 615 O LYS A 37 -3.719 -5.379 6.908 1.00 20.22 O ATOM 616 CB LYS A 37 -3.264 -2.997 9.169 1.00 10.32 C ATOM 617 CG LYS A 37 -4.738 -2.938 8.755 1.00 5.35 C ATOM 618 CD LYS A 37 -5.270 -1.517 8.650 1.00 44.22 C ATOM 619 CE LYS A 37 -5.456 -0.860 10.013 1.00 4.23 C ATOM 620 NZ LYS A 37 -6.215 0.416 9.910 1.00 40.24 N ATOM 0 H LYS A 37 -0.814 -3.442 9.477 1.00 65.22 H new ATOM 0 HA LYS A 37 -3.010 -5.129 9.354 1.00 70.42 H new ATOM 0 HB2 LYS A 37 -3.188 -2.875 10.249 1.00 10.32 H new ATOM 0 HB3 LYS A 37 -2.728 -2.163 8.715 1.00 10.32 H new ATOM 0 HG2 LYS A 37 -4.860 -3.438 7.794 1.00 5.35 H new ATOM 0 HG3 LYS A 37 -5.336 -3.491 9.480 1.00 5.35 H new ATOM 0 HD2 LYS A 37 -4.582 -0.918 8.053 1.00 44.22 H new ATOM 0 HD3 LYS A 37 -6.224 -1.528 8.122 1.00 44.22 H new ATOM 0 HE2 LYS A 37 -5.983 -1.544 10.678 1.00 4.23 H new ATOM 0 HE3 LYS A 37 -4.481 -0.668 10.461 1.00 4.23 H new ATOM 0 HZ1 LYS A 37 -6.134 0.941 10.804 1.00 40.24 H new ATOM 0 HZ2 LYS A 37 -5.826 0.990 9.135 1.00 40.24 H new ATOM 0 HZ3 LYS A 37 -7.216 0.210 9.719 1.00 40.24 H new ATOM 634 N ILE A 38 -2.153 -3.843 6.419 1.00 51.14 N ATOM 635 CA ILE A 38 -2.281 -3.998 4.967 1.00 12.53 C ATOM 636 C ILE A 38 -2.043 -5.462 4.538 1.00 24.41 C ATOM 637 O ILE A 38 -2.661 -5.952 3.593 1.00 71.42 O ATOM 638 CB ILE A 38 -1.287 -3.070 4.221 1.00 72.40 C ATOM 639 CG1 ILE A 38 -1.364 -1.636 4.781 1.00 0.20 C ATOM 640 CG2 ILE A 38 -1.556 -3.078 2.718 1.00 25.22 C ATOM 641 CD1 ILE A 38 -2.756 -1.042 4.773 1.00 13.00 C ATOM 0 H ILE A 38 -1.473 -3.139 6.706 1.00 51.14 H new ATOM 0 HA ILE A 38 -3.299 -3.716 4.700 1.00 12.53 H new ATOM 0 HB ILE A 38 -0.279 -3.450 4.384 1.00 72.40 H new ATOM 0 HG12 ILE A 38 -0.987 -1.636 5.804 1.00 0.20 H new ATOM 0 HG13 ILE A 38 -0.704 -0.994 4.198 1.00 0.20 H new ATOM 0 HG21 ILE A 38 -0.846 -2.420 2.218 1.00 25.22 H new ATOM 0 HG22 ILE A 38 -1.444 -4.092 2.334 1.00 25.22 H new ATOM 0 HG23 ILE A 38 -2.571 -2.728 2.528 1.00 25.22 H new ATOM 0 HD11 ILE A 38 -2.723 -0.032 5.183 1.00 13.00 H new ATOM 0 HD12 ILE A 38 -3.131 -1.007 3.750 1.00 13.00 H new ATOM 0 HD13 ILE A 38 -3.418 -1.659 5.381 1.00 13.00 H new ATOM 653 N ALA A 39 -1.144 -6.150 5.244 1.00 4.33 N ATOM 654 CA ALA A 39 -0.909 -7.583 5.024 1.00 61.14 C ATOM 655 C ALA A 39 -2.076 -8.433 5.567 1.00 41.15 C ATOM 656 O ALA A 39 -2.439 -9.452 4.977 1.00 33.14 O ATOM 657 CB ALA A 39 0.410 -8.007 5.669 1.00 44.02 C ATOM 0 H ALA A 39 -0.564 -5.739 5.975 1.00 4.33 H new ATOM 0 HA ALA A 39 -0.847 -7.754 3.949 1.00 61.14 H new ATOM 0 HB1 ALA A 39 0.573 -9.071 5.499 1.00 44.02 H new ATOM 0 HB2 ALA A 39 1.230 -7.440 5.228 1.00 44.02 H new ATOM 0 HB3 ALA A 39 0.370 -7.813 6.741 1.00 44.02 H new ATOM 663 N GLU A 40 -2.653 -8.006 6.694 1.00 25.42 N ATOM 664 CA GLU A 40 -3.831 -8.672 7.282 1.00 74.14 C ATOM 665 C GLU A 40 -5.028 -8.670 6.314 1.00 2.25 C ATOM 666 O GLU A 40 -5.750 -9.663 6.190 1.00 21.01 O ATOM 667 CB GLU A 40 -4.241 -7.968 8.590 1.00 53.11 C ATOM 668 CG GLU A 40 -3.255 -8.140 9.742 1.00 11.21 C ATOM 669 CD GLU A 40 -3.320 -9.525 10.364 1.00 70.42 C ATOM 670 OE1 GLU A 40 -4.183 -9.747 11.239 1.00 34.14 O ATOM 671 OE2 GLU A 40 -2.511 -10.401 9.988 1.00 5.30 O ATOM 0 H GLU A 40 -2.325 -7.198 7.224 1.00 25.42 H new ATOM 0 HA GLU A 40 -3.552 -9.706 7.485 1.00 74.14 H new ATOM 0 HB2 GLU A 40 -4.364 -6.903 8.391 1.00 53.11 H new ATOM 0 HB3 GLU A 40 -5.214 -8.348 8.902 1.00 53.11 H new ATOM 0 HG2 GLU A 40 -2.243 -7.955 9.380 1.00 11.21 H new ATOM 0 HG3 GLU A 40 -3.462 -7.392 10.507 1.00 11.21 H new ATOM 678 N LEU A 41 -5.218 -7.551 5.619 1.00 72.34 N ATOM 679 CA LEU A 41 -6.362 -7.366 4.712 1.00 74.14 C ATOM 680 C LEU A 41 -6.139 -8.047 3.346 1.00 51.32 C ATOM 681 O LEU A 41 -6.770 -7.683 2.354 1.00 2.02 O ATOM 682 CB LEU A 41 -6.617 -5.864 4.506 1.00 33.33 C ATOM 683 CG LEU A 41 -6.885 -5.053 5.788 1.00 31.22 C ATOM 684 CD1 LEU A 41 -7.058 -3.569 5.464 1.00 63.32 C ATOM 685 CD2 LEU A 41 -8.108 -5.593 6.527 1.00 5.35 C ATOM 0 H LEU A 41 -4.591 -6.748 5.664 1.00 72.34 H new ATOM 0 HA LEU A 41 -7.230 -7.836 5.175 1.00 74.14 H new ATOM 0 HB2 LEU A 41 -5.754 -5.433 3.999 1.00 33.33 H new ATOM 0 HB3 LEU A 41 -7.470 -5.747 3.838 1.00 33.33 H new ATOM 0 HG LEU A 41 -6.020 -5.159 6.443 1.00 31.22 H new ATOM 0 HD11 LEU A 41 -7.246 -3.015 6.384 1.00 63.32 H new ATOM 0 HD12 LEU A 41 -6.151 -3.191 4.992 1.00 63.32 H new ATOM 0 HD13 LEU A 41 -7.901 -3.441 4.784 1.00 63.32 H new ATOM 0 HD21 LEU A 41 -8.277 -5.005 7.429 1.00 5.35 H new ATOM 0 HD22 LEU A 41 -8.983 -5.526 5.880 1.00 5.35 H new ATOM 0 HD23 LEU A 41 -7.938 -6.634 6.800 1.00 5.35 H new ATOM 697 N MET A 42 -5.267 -9.054 3.307 1.00 13.15 N ATOM 698 CA MET A 42 -4.911 -9.737 2.055 1.00 63.44 C ATOM 699 C MET A 42 -5.373 -11.212 2.027 1.00 65.40 C ATOM 700 O MET A 42 -4.575 -12.123 2.265 1.00 14.31 O ATOM 701 CB MET A 42 -3.392 -9.667 1.858 1.00 43.41 C ATOM 702 CG MET A 42 -2.876 -8.272 1.540 1.00 70.54 C ATOM 703 SD MET A 42 -3.140 -7.826 -0.185 1.00 54.02 S ATOM 704 CE MET A 42 -2.518 -6.147 -0.200 1.00 60.25 C ATOM 0 H MET A 42 -4.790 -9.419 4.131 1.00 13.15 H new ATOM 0 HA MET A 42 -5.429 -9.226 1.243 1.00 63.44 H new ATOM 0 HB2 MET A 42 -2.901 -10.028 2.762 1.00 43.41 H new ATOM 0 HB3 MET A 42 -3.109 -10.342 1.050 1.00 43.41 H new ATOM 0 HG2 MET A 42 -3.376 -7.546 2.182 1.00 70.54 H new ATOM 0 HG3 MET A 42 -1.811 -8.219 1.768 1.00 70.54 H new ATOM 0 HE1 MET A 42 -2.020 -5.952 -1.150 1.00 60.25 H new ATOM 0 HE2 MET A 42 -3.347 -5.451 -0.075 1.00 60.25 H new ATOM 0 HE3 MET A 42 -1.807 -6.015 0.616 1.00 60.25 H new ATOM 714 N PRO A 43 -6.664 -11.475 1.734 1.00 24.34 N ATOM 715 CA PRO A 43 -7.182 -12.843 1.615 1.00 61.01 C ATOM 716 C PRO A 43 -6.909 -13.461 0.228 1.00 74.35 C ATOM 717 O PRO A 43 -7.606 -13.171 -0.745 1.00 43.35 O ATOM 718 CB PRO A 43 -8.684 -12.661 1.861 1.00 12.53 C ATOM 719 CG PRO A 43 -8.989 -11.288 1.353 1.00 24.32 C ATOM 720 CD PRO A 43 -7.725 -10.468 1.519 1.00 42.55 C ATOM 0 HA PRO A 43 -6.705 -13.532 2.312 1.00 61.01 H new ATOM 0 HB2 PRO A 43 -9.266 -13.417 1.333 1.00 12.53 H new ATOM 0 HB3 PRO A 43 -8.926 -12.754 2.920 1.00 12.53 H new ATOM 0 HG2 PRO A 43 -9.293 -11.322 0.307 1.00 24.32 H new ATOM 0 HG3 PRO A 43 -9.814 -10.844 1.911 1.00 24.32 H new ATOM 0 HD2 PRO A 43 -7.525 -9.861 0.636 1.00 42.55 H new ATOM 0 HD3 PRO A 43 -7.802 -9.784 2.364 1.00 42.55 H new ATOM 728 N GLY A 44 -5.871 -14.291 0.142 1.00 44.13 N ATOM 729 CA GLY A 44 -5.522 -14.941 -1.121 1.00 2.12 C ATOM 730 C GLY A 44 -4.823 -14.014 -2.117 1.00 11.24 C ATOM 731 O GLY A 44 -4.698 -14.344 -3.296 1.00 52.43 O ATOM 0 H GLY A 44 -5.261 -14.528 0.924 1.00 44.13 H new ATOM 0 HA2 GLY A 44 -4.874 -15.793 -0.914 1.00 2.12 H new ATOM 0 HA3 GLY A 44 -6.429 -15.335 -1.580 1.00 2.12 H new ATOM 735 N ALA A 45 -4.357 -12.859 -1.645 1.00 10.02 N ATOM 736 CA ALA A 45 -3.680 -11.882 -2.510 1.00 13.02 C ATOM 737 C ALA A 45 -2.174 -12.170 -2.637 1.00 13.24 C ATOM 738 O ALA A 45 -1.518 -12.561 -1.663 1.00 0.42 O ATOM 739 CB ALA A 45 -3.903 -10.472 -1.973 1.00 21.23 C ATOM 0 H ALA A 45 -4.434 -12.573 -0.669 1.00 10.02 H new ATOM 0 HA ALA A 45 -4.112 -11.966 -3.507 1.00 13.02 H new ATOM 0 HB1 ALA A 45 -3.399 -9.753 -2.618 1.00 21.23 H new ATOM 0 HB2 ALA A 45 -4.971 -10.255 -1.953 1.00 21.23 H new ATOM 0 HB3 ALA A 45 -3.499 -10.399 -0.963 1.00 21.23 H new ATOM 745 N SER A 46 -1.627 -11.950 -3.832 1.00 53.30 N ATOM 746 CA SER A 46 -0.199 -12.181 -4.104 1.00 30.41 C ATOM 747 C SER A 46 0.525 -10.866 -4.444 1.00 5.51 C ATOM 748 O SER A 46 -0.028 -9.781 -4.274 1.00 12.23 O ATOM 749 CB SER A 46 -0.033 -13.188 -5.254 1.00 13.12 C ATOM 750 OG SER A 46 -0.654 -14.428 -4.942 1.00 20.41 O ATOM 0 H SER A 46 -2.152 -11.609 -4.637 1.00 53.30 H new ATOM 0 HA SER A 46 0.252 -12.592 -3.201 1.00 30.41 H new ATOM 0 HB2 SER A 46 -0.469 -12.779 -6.166 1.00 13.12 H new ATOM 0 HB3 SER A 46 1.027 -13.348 -5.451 1.00 13.12 H new ATOM 0 HG SER A 46 -0.536 -15.050 -5.690 1.00 20.41 H new ATOM 756 N GLY A 47 1.768 -10.969 -4.918 1.00 71.45 N ATOM 757 CA GLY A 47 2.568 -9.778 -5.220 1.00 2.21 C ATOM 758 C GLY A 47 1.987 -8.891 -6.324 1.00 53.42 C ATOM 759 O GLY A 47 2.152 -7.668 -6.294 1.00 31.24 O ATOM 0 H GLY A 47 2.240 -11.855 -5.100 1.00 71.45 H new ATOM 0 HA2 GLY A 47 2.673 -9.185 -4.311 1.00 2.21 H new ATOM 0 HA3 GLY A 47 3.570 -10.092 -5.512 1.00 2.21 H new ATOM 763 N ALA A 48 1.302 -9.504 -7.290 1.00 44.02 N ATOM 764 CA ALA A 48 0.759 -8.779 -8.449 1.00 14.23 C ATOM 765 C ALA A 48 -0.219 -7.666 -8.036 1.00 5.41 C ATOM 766 O ALA A 48 -0.161 -6.547 -8.555 1.00 72.41 O ATOM 767 CB ALA A 48 0.077 -9.755 -9.404 1.00 25.21 C ATOM 0 H ALA A 48 1.107 -10.505 -7.296 1.00 44.02 H new ATOM 0 HA ALA A 48 1.597 -8.299 -8.955 1.00 14.23 H new ATOM 0 HB1 ALA A 48 -0.322 -9.209 -10.259 1.00 25.21 H new ATOM 0 HB2 ALA A 48 0.802 -10.492 -9.750 1.00 25.21 H new ATOM 0 HB3 ALA A 48 -0.737 -10.262 -8.886 1.00 25.21 H new ATOM 773 N GLU A 49 -1.115 -7.981 -7.105 1.00 61.31 N ATOM 774 CA GLU A 49 -2.096 -7.008 -6.607 1.00 45.55 C ATOM 775 C GLU A 49 -1.510 -6.131 -5.488 1.00 13.41 C ATOM 776 O GLU A 49 -1.899 -4.972 -5.337 1.00 13.22 O ATOM 777 CB GLU A 49 -3.387 -7.707 -6.127 1.00 72.11 C ATOM 778 CG GLU A 49 -3.174 -8.981 -5.313 1.00 31.33 C ATOM 779 CD GLU A 49 -2.995 -10.215 -6.187 1.00 44.34 C ATOM 780 OE1 GLU A 49 -4.008 -10.805 -6.609 1.00 73.21 O ATOM 781 OE2 GLU A 49 -1.844 -10.610 -6.450 1.00 24.45 O ATOM 0 H GLU A 49 -1.186 -8.904 -6.676 1.00 61.31 H new ATOM 0 HA GLU A 49 -2.351 -6.357 -7.443 1.00 45.55 H new ATOM 0 HB2 GLU A 49 -3.960 -7.002 -5.525 1.00 72.11 H new ATOM 0 HB3 GLU A 49 -3.995 -7.950 -6.999 1.00 72.11 H new ATOM 0 HG2 GLU A 49 -2.296 -8.859 -4.679 1.00 31.33 H new ATOM 0 HG3 GLU A 49 -4.027 -9.131 -4.651 1.00 31.33 H new ATOM 788 N VAL A 50 -0.573 -6.677 -4.712 1.00 13.54 N ATOM 789 CA VAL A 50 0.146 -5.885 -3.702 1.00 4.44 C ATOM 790 C VAL A 50 0.855 -4.685 -4.354 1.00 31.22 C ATOM 791 O VAL A 50 0.806 -3.561 -3.845 1.00 44.42 O ATOM 792 CB VAL A 50 1.178 -6.751 -2.932 1.00 72.34 C ATOM 793 CG1 VAL A 50 2.089 -5.882 -2.067 1.00 45.04 C ATOM 794 CG2 VAL A 50 0.467 -7.795 -2.071 1.00 65.31 C ATOM 0 H VAL A 50 -0.293 -7.657 -4.759 1.00 13.54 H new ATOM 0 HA VAL A 50 -0.593 -5.518 -2.990 1.00 4.44 H new ATOM 0 HB VAL A 50 1.797 -7.266 -3.667 1.00 72.34 H new ATOM 0 HG11 VAL A 50 2.802 -6.515 -1.539 1.00 45.04 H new ATOM 0 HG12 VAL A 50 2.629 -5.178 -2.700 1.00 45.04 H new ATOM 0 HG13 VAL A 50 1.487 -5.332 -1.344 1.00 45.04 H new ATOM 0 HG21 VAL A 50 1.207 -8.393 -1.539 1.00 65.31 H new ATOM 0 HG22 VAL A 50 -0.180 -7.294 -1.351 1.00 65.31 H new ATOM 0 HG23 VAL A 50 -0.133 -8.444 -2.708 1.00 65.31 H new ATOM 804 N LYS A 51 1.504 -4.934 -5.491 1.00 52.13 N ATOM 805 CA LYS A 51 2.097 -3.865 -6.303 1.00 44.03 C ATOM 806 C LYS A 51 1.019 -2.851 -6.728 1.00 61.31 C ATOM 807 O LYS A 51 1.261 -1.641 -6.778 1.00 63.00 O ATOM 808 CB LYS A 51 2.802 -4.482 -7.529 1.00 24.42 C ATOM 809 CG LYS A 51 3.362 -3.475 -8.543 1.00 2.41 C ATOM 810 CD LYS A 51 2.332 -3.062 -9.598 1.00 43.54 C ATOM 811 CE LYS A 51 1.822 -4.263 -10.387 1.00 12.15 C ATOM 812 NZ LYS A 51 0.810 -3.876 -11.403 1.00 23.32 N ATOM 0 H LYS A 51 1.634 -5.870 -5.874 1.00 52.13 H new ATOM 0 HA LYS A 51 2.838 -3.327 -5.711 1.00 44.03 H new ATOM 0 HB2 LYS A 51 3.620 -5.111 -7.178 1.00 24.42 H new ATOM 0 HB3 LYS A 51 2.096 -5.134 -8.043 1.00 24.42 H new ATOM 0 HG2 LYS A 51 3.709 -2.588 -8.014 1.00 2.41 H new ATOM 0 HG3 LYS A 51 4.230 -3.910 -9.039 1.00 2.41 H new ATOM 0 HD2 LYS A 51 1.494 -2.563 -9.112 1.00 43.54 H new ATOM 0 HD3 LYS A 51 2.780 -2.341 -10.282 1.00 43.54 H new ATOM 0 HE2 LYS A 51 2.661 -4.755 -10.880 1.00 12.15 H new ATOM 0 HE3 LYS A 51 1.386 -4.989 -9.700 1.00 12.15 H new ATOM 0 HZ1 LYS A 51 0.491 -4.723 -11.915 1.00 23.32 H new ATOM 0 HZ2 LYS A 51 -0.003 -3.430 -10.931 1.00 23.32 H new ATOM 0 HZ3 LYS A 51 1.232 -3.203 -12.075 1.00 23.32 H new ATOM 826 N GLY A 52 -0.176 -3.360 -7.026 1.00 22.13 N ATOM 827 CA GLY A 52 -1.305 -2.499 -7.363 1.00 51.32 C ATOM 828 C GLY A 52 -1.720 -1.589 -6.206 1.00 72.24 C ATOM 829 O GLY A 52 -2.022 -0.417 -6.415 1.00 35.31 O ATOM 0 H GLY A 52 -0.385 -4.358 -7.041 1.00 22.13 H new ATOM 0 HA2 GLY A 52 -1.044 -1.886 -8.226 1.00 51.32 H new ATOM 0 HA3 GLY A 52 -2.154 -3.117 -7.656 1.00 51.32 H new ATOM 833 N VAL A 53 -1.711 -2.128 -4.982 1.00 34.41 N ATOM 834 CA VAL A 53 -2.079 -1.360 -3.783 1.00 61.52 C ATOM 835 C VAL A 53 -1.189 -0.119 -3.597 1.00 34.42 C ATOM 836 O VAL A 53 -1.689 0.987 -3.380 1.00 23.32 O ATOM 837 CB VAL A 53 -1.999 -2.244 -2.514 1.00 33.42 C ATOM 838 CG1 VAL A 53 -2.258 -1.425 -1.249 1.00 52.14 C ATOM 839 CG2 VAL A 53 -2.981 -3.410 -2.617 1.00 23.51 C ATOM 0 H VAL A 53 -1.452 -3.096 -4.793 1.00 34.41 H new ATOM 0 HA VAL A 53 -3.106 -1.026 -3.929 1.00 61.52 H new ATOM 0 HB VAL A 53 -0.988 -2.646 -2.444 1.00 33.42 H new ATOM 0 HG11 VAL A 53 -2.195 -2.074 -0.376 1.00 52.14 H new ATOM 0 HG12 VAL A 53 -1.512 -0.635 -1.168 1.00 52.14 H new ATOM 0 HG13 VAL A 53 -3.252 -0.981 -1.300 1.00 52.14 H new ATOM 0 HG21 VAL A 53 -2.914 -4.023 -1.718 1.00 23.51 H new ATOM 0 HG22 VAL A 53 -3.995 -3.024 -2.718 1.00 23.51 H new ATOM 0 HG23 VAL A 53 -2.736 -4.017 -3.489 1.00 23.51 H new ATOM 849 N CYS A 54 0.129 -0.309 -3.685 1.00 24.43 N ATOM 850 CA CYS A 54 1.079 0.812 -3.579 1.00 20.53 C ATOM 851 C CYS A 54 0.795 1.868 -4.656 1.00 41.43 C ATOM 852 O CYS A 54 0.870 3.073 -4.404 1.00 32.04 O ATOM 853 CB CYS A 54 2.524 0.311 -3.715 1.00 21.31 C ATOM 854 SG CYS A 54 3.003 -0.917 -2.475 1.00 42.43 S ATOM 0 H CYS A 54 0.565 -1.220 -3.828 1.00 24.43 H new ATOM 0 HA CYS A 54 0.952 1.267 -2.597 1.00 20.53 H new ATOM 0 HB2 CYS A 54 2.655 -0.121 -4.707 1.00 21.31 H new ATOM 0 HB3 CYS A 54 3.200 1.163 -3.646 1.00 21.31 H new ATOM 0 HG CYS A 54 4.221 -0.685 -2.083 1.00 42.43 H new ATOM 860 N THR A 55 0.450 1.397 -5.851 1.00 30.44 N ATOM 861 CA THR A 55 0.123 2.277 -6.980 1.00 51.24 C ATOM 862 C THR A 55 -1.157 3.088 -6.713 1.00 43.24 C ATOM 863 O THR A 55 -1.173 4.310 -6.877 1.00 2.34 O ATOM 864 CB THR A 55 -0.053 1.464 -8.288 1.00 1.04 C ATOM 865 OG1 THR A 55 1.118 0.661 -8.530 1.00 1.24 O ATOM 866 CG2 THR A 55 -0.296 2.381 -9.485 1.00 4.41 C ATOM 0 H THR A 55 0.388 0.402 -6.068 1.00 30.44 H new ATOM 0 HA THR A 55 0.959 2.967 -7.094 1.00 51.24 H new ATOM 0 HB THR A 55 -0.924 0.820 -8.166 1.00 1.04 H new ATOM 0 HG1 THR A 55 1.124 -0.102 -7.915 1.00 1.24 H new ATOM 0 HG21 THR A 55 -0.415 1.779 -10.386 1.00 4.41 H new ATOM 0 HG22 THR A 55 -1.200 2.966 -9.317 1.00 4.41 H new ATOM 0 HG23 THR A 55 0.554 3.053 -9.607 1.00 4.41 H new ATOM 874 N GLU A 56 -2.227 2.401 -6.296 1.00 34.33 N ATOM 875 CA GLU A 56 -3.494 3.060 -5.942 1.00 44.15 C ATOM 876 C GLU A 56 -3.281 4.106 -4.838 1.00 74.42 C ATOM 877 O GLU A 56 -3.769 5.233 -4.934 1.00 33.05 O ATOM 878 CB GLU A 56 -4.522 2.020 -5.466 1.00 20.12 C ATOM 879 CG GLU A 56 -4.963 1.029 -6.539 1.00 21.51 C ATOM 880 CD GLU A 56 -5.756 1.682 -7.661 1.00 4.34 C ATOM 881 OE1 GLU A 56 -6.950 1.989 -7.452 1.00 24.31 O ATOM 882 OE2 GLU A 56 -5.195 1.874 -8.761 1.00 42.33 O ATOM 0 H GLU A 56 -2.242 1.386 -6.195 1.00 34.33 H new ATOM 0 HA GLU A 56 -3.869 3.562 -6.834 1.00 44.15 H new ATOM 0 HB2 GLU A 56 -4.098 1.465 -4.629 1.00 20.12 H new ATOM 0 HB3 GLU A 56 -5.401 2.543 -5.089 1.00 20.12 H new ATOM 0 HG2 GLU A 56 -4.083 0.542 -6.959 1.00 21.51 H new ATOM 0 HG3 GLU A 56 -5.570 0.249 -6.078 1.00 21.51 H new ATOM 889 N ALA A 57 -2.542 3.720 -3.799 1.00 34.11 N ATOM 890 CA ALA A 57 -2.216 4.624 -2.689 1.00 33.42 C ATOM 891 C ALA A 57 -1.541 5.908 -3.194 1.00 52.52 C ATOM 892 O ALA A 57 -1.902 7.014 -2.787 1.00 21.22 O ATOM 893 CB ALA A 57 -1.323 3.913 -1.676 1.00 45.13 C ATOM 0 H ALA A 57 -2.154 2.782 -3.700 1.00 34.11 H new ATOM 0 HA ALA A 57 -3.148 4.909 -2.200 1.00 33.42 H new ATOM 0 HB1 ALA A 57 -1.088 4.593 -0.858 1.00 45.13 H new ATOM 0 HB2 ALA A 57 -1.842 3.039 -1.283 1.00 45.13 H new ATOM 0 HB3 ALA A 57 -0.400 3.598 -2.163 1.00 45.13 H new ATOM 899 N GLY A 58 -0.565 5.752 -4.088 1.00 43.50 N ATOM 900 CA GLY A 58 0.082 6.908 -4.702 1.00 45.20 C ATOM 901 C GLY A 58 -0.902 7.804 -5.452 1.00 61.11 C ATOM 902 O GLY A 58 -0.841 9.032 -5.355 1.00 62.25 O ATOM 0 H GLY A 58 -0.209 4.848 -4.399 1.00 43.50 H new ATOM 0 HA2 GLY A 58 0.583 7.492 -3.930 1.00 45.20 H new ATOM 0 HA3 GLY A 58 0.853 6.564 -5.392 1.00 45.20 H new ATOM 906 N MET A 59 -1.822 7.184 -6.189 1.00 45.01 N ATOM 907 CA MET A 59 -2.852 7.923 -6.929 1.00 64.44 C ATOM 908 C MET A 59 -3.749 8.732 -5.979 1.00 71.43 C ATOM 909 O MET A 59 -4.054 9.898 -6.242 1.00 22.22 O ATOM 910 CB MET A 59 -3.709 6.957 -7.762 1.00 2.52 C ATOM 911 CG MET A 59 -2.933 6.151 -8.805 1.00 52.33 C ATOM 912 SD MET A 59 -2.774 6.986 -10.406 1.00 44.02 S ATOM 913 CE MET A 59 -1.717 8.378 -10.013 1.00 13.04 C ATOM 0 H MET A 59 -1.878 6.171 -6.292 1.00 45.01 H new ATOM 0 HA MET A 59 -2.346 8.620 -7.597 1.00 64.44 H new ATOM 0 HB2 MET A 59 -4.211 6.264 -7.087 1.00 2.52 H new ATOM 0 HB3 MET A 59 -4.487 7.528 -8.269 1.00 2.52 H new ATOM 0 HG2 MET A 59 -1.937 5.936 -8.417 1.00 52.33 H new ATOM 0 HG3 MET A 59 -3.430 5.193 -8.954 1.00 52.33 H new ATOM 0 HE1 MET A 59 -1.150 8.666 -10.898 1.00 13.04 H new ATOM 0 HE2 MET A 59 -2.329 9.218 -9.685 1.00 13.04 H new ATOM 0 HE3 MET A 59 -1.028 8.098 -9.216 1.00 13.04 H new ATOM 923 N TYR A 60 -4.161 8.109 -4.874 1.00 71.42 N ATOM 924 CA TYR A 60 -5.007 8.775 -3.875 1.00 2.22 C ATOM 925 C TYR A 60 -4.290 9.985 -3.263 1.00 64.24 C ATOM 926 O TYR A 60 -4.870 11.063 -3.123 1.00 53.12 O ATOM 927 CB TYR A 60 -5.416 7.796 -2.766 1.00 30.41 C ATOM 928 CG TYR A 60 -6.113 6.543 -3.269 1.00 74.21 C ATOM 929 CD1 TYR A 60 -6.816 6.540 -4.470 1.00 22.50 C ATOM 930 CD2 TYR A 60 -6.050 5.358 -2.544 1.00 53.34 C ATOM 931 CE1 TYR A 60 -7.442 5.397 -4.928 1.00 21.14 C ATOM 932 CE2 TYR A 60 -6.672 4.211 -2.996 1.00 50.22 C ATOM 933 CZ TYR A 60 -7.365 4.235 -4.190 1.00 43.14 C ATOM 934 OH TYR A 60 -7.981 3.091 -4.648 1.00 55.41 O ATOM 0 H TYR A 60 -3.924 7.144 -4.646 1.00 71.42 H new ATOM 0 HA TYR A 60 -5.905 9.124 -4.385 1.00 2.22 H new ATOM 0 HB2 TYR A 60 -4.526 7.504 -2.208 1.00 30.41 H new ATOM 0 HB3 TYR A 60 -6.076 8.310 -2.068 1.00 30.41 H new ATOM 0 HD1 TYR A 60 -6.873 7.447 -5.054 1.00 22.50 H new ATOM 0 HD2 TYR A 60 -5.505 5.334 -1.612 1.00 53.34 H new ATOM 0 HE1 TYR A 60 -7.989 5.414 -5.859 1.00 21.14 H new ATOM 0 HE2 TYR A 60 -6.617 3.300 -2.419 1.00 50.22 H new ATOM 0 HH TYR A 60 -7.513 2.764 -5.445 1.00 55.41 H new ATOM 944 N ALA A 61 -3.022 9.798 -2.905 1.00 3.31 N ATOM 945 CA ALA A 61 -2.200 10.888 -2.384 1.00 15.44 C ATOM 946 C ALA A 61 -2.125 12.059 -3.379 1.00 64.15 C ATOM 947 O ALA A 61 -2.391 13.206 -3.026 1.00 33.23 O ATOM 948 CB ALA A 61 -0.804 10.377 -2.054 1.00 72.21 C ATOM 0 H ALA A 61 -2.541 8.901 -2.966 1.00 3.31 H new ATOM 0 HA ALA A 61 -2.667 11.259 -1.472 1.00 15.44 H new ATOM 0 HB1 ALA A 61 -0.199 11.196 -1.666 1.00 72.21 H new ATOM 0 HB2 ALA A 61 -0.873 9.590 -1.303 1.00 72.21 H new ATOM 0 HB3 ALA A 61 -0.340 9.978 -2.956 1.00 72.21 H new ATOM 954 N LEU A 62 -1.787 11.755 -4.632 1.00 11.45 N ATOM 955 CA LEU A 62 -1.660 12.782 -5.675 1.00 20.33 C ATOM 956 C LEU A 62 -2.974 13.556 -5.897 1.00 71.31 C ATOM 957 O LEU A 62 -2.982 14.788 -5.896 1.00 4.14 O ATOM 958 CB LEU A 62 -1.188 12.153 -6.996 1.00 33.24 C ATOM 959 CG LEU A 62 0.216 11.526 -6.960 1.00 30.11 C ATOM 960 CD1 LEU A 62 0.577 10.925 -8.318 1.00 13.15 C ATOM 961 CD2 LEU A 62 1.257 12.558 -6.531 1.00 3.45 C ATOM 0 H LEU A 62 -1.595 10.806 -4.953 1.00 11.45 H new ATOM 0 HA LEU A 62 -0.914 13.497 -5.329 1.00 20.33 H new ATOM 0 HB2 LEU A 62 -1.904 11.385 -7.290 1.00 33.24 H new ATOM 0 HB3 LEU A 62 -1.206 12.919 -7.771 1.00 33.24 H new ATOM 0 HG LEU A 62 0.210 10.722 -6.224 1.00 30.11 H new ATOM 0 HD11 LEU A 62 1.574 10.487 -8.269 1.00 13.15 H new ATOM 0 HD12 LEU A 62 -0.146 10.152 -8.578 1.00 13.15 H new ATOM 0 HD13 LEU A 62 0.561 11.707 -9.078 1.00 13.15 H new ATOM 0 HD21 LEU A 62 2.243 12.094 -6.512 1.00 3.45 H new ATOM 0 HD22 LEU A 62 1.260 13.388 -7.238 1.00 3.45 H new ATOM 0 HD23 LEU A 62 1.012 12.930 -5.536 1.00 3.45 H new ATOM 973 N ARG A 63 -4.087 12.838 -6.077 1.00 50.00 N ATOM 974 CA ARG A 63 -5.389 13.488 -6.321 1.00 72.01 C ATOM 975 C ARG A 63 -5.830 14.350 -5.127 1.00 41.32 C ATOM 976 O ARG A 63 -6.516 15.360 -5.299 1.00 11.34 O ATOM 977 CB ARG A 63 -6.477 12.452 -6.635 1.00 44.11 C ATOM 978 CG ARG A 63 -6.747 11.468 -5.501 1.00 74.42 C ATOM 979 CD ARG A 63 -8.019 10.667 -5.735 1.00 22.51 C ATOM 980 NE ARG A 63 -9.212 11.511 -5.673 1.00 62.14 N ATOM 981 CZ ARG A 63 -10.422 11.086 -5.914 1.00 15.14 C ATOM 982 NH1 ARG A 63 -10.626 9.873 -6.318 1.00 50.32 N ATOM 983 NH2 ARG A 63 -11.426 11.891 -5.775 1.00 62.02 N ATOM 0 H ARG A 63 -4.119 11.819 -6.060 1.00 50.00 H new ATOM 0 HA ARG A 63 -5.256 14.138 -7.186 1.00 72.01 H new ATOM 0 HB2 ARG A 63 -7.403 12.975 -6.876 1.00 44.11 H new ATOM 0 HB3 ARG A 63 -6.186 11.893 -7.525 1.00 44.11 H new ATOM 0 HG2 ARG A 63 -5.902 10.787 -5.403 1.00 74.42 H new ATOM 0 HG3 ARG A 63 -6.829 12.012 -4.560 1.00 74.42 H new ATOM 0 HD2 ARG A 63 -7.968 10.181 -6.709 1.00 22.51 H new ATOM 0 HD3 ARG A 63 -8.094 9.877 -4.988 1.00 22.51 H new ATOM 0 HE ARG A 63 -9.091 12.493 -5.426 1.00 62.14 H new ATOM 0 HH11 ARG A 63 -9.837 9.240 -6.451 1.00 50.32 H new ATOM 0 HH12 ARG A 63 -11.576 9.550 -6.504 1.00 50.32 H new ATOM 0 HH21 ARG A 63 -11.270 12.854 -5.478 1.00 62.02 H new ATOM 0 HH22 ARG A 63 -12.373 11.562 -5.963 1.00 62.02 H new ATOM 997 N GLU A 64 -5.451 13.940 -3.916 1.00 43.24 N ATOM 998 CA GLU A 64 -5.748 14.721 -2.708 1.00 31.50 C ATOM 999 C GLU A 64 -4.595 15.673 -2.354 1.00 20.51 C ATOM 1000 O GLU A 64 -4.560 16.240 -1.261 1.00 52.34 O ATOM 1001 CB GLU A 64 -6.060 13.795 -1.525 1.00 52.15 C ATOM 1002 CG GLU A 64 -7.356 13.004 -1.690 1.00 35.53 C ATOM 1003 CD GLU A 64 -7.765 12.271 -0.422 1.00 15.02 C ATOM 1004 OE1 GLU A 64 -8.085 12.947 0.582 1.00 1.11 O ATOM 1005 OE2 GLU A 64 -7.778 11.021 -0.422 1.00 35.12 O ATOM 0 H GLU A 64 -4.939 13.075 -3.743 1.00 43.24 H new ATOM 0 HA GLU A 64 -6.629 15.327 -2.918 1.00 31.50 H new ATOM 0 HB2 GLU A 64 -5.233 13.097 -1.393 1.00 52.15 H new ATOM 0 HB3 GLU A 64 -6.122 14.391 -0.615 1.00 52.15 H new ATOM 0 HG2 GLU A 64 -8.156 13.683 -1.985 1.00 35.53 H new ATOM 0 HG3 GLU A 64 -7.236 12.283 -2.498 1.00 35.53 H new ATOM 1012 N ARG A 65 -3.655 15.837 -3.290 1.00 75.44 N ATOM 1013 CA ARG A 65 -2.550 16.801 -3.158 1.00 3.44 C ATOM 1014 C ARG A 65 -1.653 16.506 -1.938 1.00 71.21 C ATOM 1015 O ARG A 65 -0.892 17.369 -1.490 1.00 0.32 O ATOM 1016 CB ARG A 65 -3.111 18.233 -3.081 1.00 62.52 C ATOM 1017 CG ARG A 65 -4.107 18.572 -4.194 1.00 51.22 C ATOM 1018 CD ARG A 65 -3.493 18.428 -5.585 1.00 64.02 C ATOM 1019 NE ARG A 65 -2.378 19.347 -5.790 1.00 23.35 N ATOM 1020 CZ ARG A 65 -1.830 19.594 -6.949 1.00 73.32 C ATOM 1021 NH1 ARG A 65 -2.251 19.006 -8.027 1.00 22.31 N ATOM 1022 NH2 ARG A 65 -0.855 20.438 -7.027 1.00 75.54 N ATOM 0 H ARG A 65 -3.636 15.307 -4.161 1.00 75.44 H new ATOM 0 HA ARG A 65 -1.922 16.702 -4.043 1.00 3.44 H new ATOM 0 HB2 ARG A 65 -3.600 18.370 -2.116 1.00 62.52 H new ATOM 0 HB3 ARG A 65 -2.282 18.940 -3.121 1.00 62.52 H new ATOM 0 HG2 ARG A 65 -4.975 17.918 -4.113 1.00 51.22 H new ATOM 0 HG3 ARG A 65 -4.464 19.593 -4.061 1.00 51.22 H new ATOM 0 HD2 ARG A 65 -3.148 17.403 -5.724 1.00 64.02 H new ATOM 0 HD3 ARG A 65 -4.258 18.612 -6.339 1.00 64.02 H new ATOM 0 HE ARG A 65 -2.002 19.828 -4.973 1.00 23.35 H new ATOM 0 HH11 ARG A 65 -3.021 18.339 -7.977 1.00 22.31 H new ATOM 0 HH12 ARG A 65 -1.811 19.211 -8.924 1.00 22.31 H new ATOM 0 HH21 ARG A 65 -0.518 20.907 -6.186 1.00 75.54 H new ATOM 0 HH22 ARG A 65 -0.422 20.636 -7.929 1.00 75.54 H new ATOM 1036 N ARG A 66 -1.727 15.280 -1.429 1.00 3.22 N ATOM 1037 CA ARG A 66 -0.948 14.866 -0.258 1.00 44.44 C ATOM 1038 C ARG A 66 0.544 14.716 -0.592 1.00 51.34 C ATOM 1039 O ARG A 66 0.909 14.049 -1.561 1.00 63.45 O ATOM 1040 CB ARG A 66 -1.486 13.535 0.292 1.00 30.43 C ATOM 1041 CG ARG A 66 -2.927 13.609 0.788 1.00 54.22 C ATOM 1042 CD ARG A 66 -3.443 12.248 1.261 1.00 74.43 C ATOM 1043 NE ARG A 66 -4.767 12.350 1.867 1.00 2.32 N ATOM 1044 CZ ARG A 66 -5.460 11.330 2.299 1.00 34.44 C ATOM 1045 NH1 ARG A 66 -5.021 10.118 2.161 1.00 71.03 N ATOM 1046 NH2 ARG A 66 -6.612 11.526 2.853 1.00 2.10 N ATOM 0 H ARG A 66 -2.324 14.546 -1.811 1.00 3.22 H new ATOM 0 HA ARG A 66 -1.051 15.646 0.496 1.00 44.44 H new ATOM 0 HB2 ARG A 66 -1.419 12.777 -0.488 1.00 30.43 H new ATOM 0 HB3 ARG A 66 -0.846 13.206 1.111 1.00 30.43 H new ATOM 0 HG2 ARG A 66 -2.992 14.325 1.607 1.00 54.22 H new ATOM 0 HG3 ARG A 66 -3.567 13.981 -0.012 1.00 54.22 H new ATOM 0 HD2 ARG A 66 -3.482 11.561 0.416 1.00 74.43 H new ATOM 0 HD3 ARG A 66 -2.744 11.826 1.983 1.00 74.43 H new ATOM 0 HE ARG A 66 -5.178 13.279 1.959 1.00 2.32 H new ATOM 0 HH11 ARG A 66 -4.122 9.950 1.710 1.00 71.03 H new ATOM 0 HH12 ARG A 66 -5.575 9.333 2.504 1.00 71.03 H new ATOM 0 HH21 ARG A 66 -6.976 12.474 2.951 1.00 2.10 H new ATOM 0 HH22 ARG A 66 -7.157 10.733 3.192 1.00 2.10 H new ATOM 1060 N VAL A 67 1.402 15.328 0.221 1.00 14.15 N ATOM 1061 CA VAL A 67 2.855 15.225 0.031 1.00 71.43 C ATOM 1062 C VAL A 67 3.383 13.878 0.544 1.00 4.23 C ATOM 1063 O VAL A 67 4.261 13.264 -0.067 1.00 40.23 O ATOM 1064 CB VAL A 67 3.612 16.371 0.753 1.00 74.25 C ATOM 1065 CG1 VAL A 67 5.107 16.328 0.432 1.00 4.25 C ATOM 1066 CG2 VAL A 67 3.014 17.728 0.391 1.00 52.41 C ATOM 0 H VAL A 67 1.121 15.900 1.017 1.00 14.15 H new ATOM 0 HA VAL A 67 3.037 15.304 -1.041 1.00 71.43 H new ATOM 0 HB VAL A 67 3.497 16.227 1.827 1.00 74.25 H new ATOM 0 HG11 VAL A 67 5.614 17.142 0.951 1.00 4.25 H new ATOM 0 HG12 VAL A 67 5.522 15.375 0.759 1.00 4.25 H new ATOM 0 HG13 VAL A 67 5.252 16.437 -0.643 1.00 4.25 H new ATOM 0 HG21 VAL A 67 3.561 18.516 0.909 1.00 52.41 H new ATOM 0 HG22 VAL A 67 3.087 17.882 -0.686 1.00 52.41 H new ATOM 0 HG23 VAL A 67 1.966 17.756 0.691 1.00 52.41 H new ATOM 1076 N HIS A 68 2.839 13.421 1.674 1.00 34.10 N ATOM 1077 CA HIS A 68 3.230 12.130 2.247 1.00 43.43 C ATOM 1078 C HIS A 68 2.037 11.163 2.301 1.00 33.04 C ATOM 1079 O HIS A 68 1.000 11.471 2.891 1.00 3.23 O ATOM 1080 CB HIS A 68 3.837 12.312 3.652 1.00 32.45 C ATOM 1081 CG HIS A 68 2.873 12.793 4.699 1.00 73.21 C ATOM 1082 ND1 HIS A 68 2.566 14.120 4.892 1.00 42.11 N ATOM 1083 CD2 HIS A 68 2.153 12.113 5.626 1.00 13.45 C ATOM 1084 CE1 HIS A 68 1.709 14.238 5.885 1.00 71.32 C ATOM 1085 NE2 HIS A 68 1.439 13.036 6.348 1.00 42.42 N ATOM 0 H HIS A 68 2.130 13.922 2.209 1.00 34.10 H new ATOM 0 HA HIS A 68 3.990 11.697 1.596 1.00 43.43 H new ATOM 0 HB2 HIS A 68 4.258 11.360 3.976 1.00 32.45 H new ATOM 0 HB3 HIS A 68 4.663 13.020 3.586 1.00 32.45 H new ATOM 0 HD2 HIS A 68 2.143 11.043 5.769 1.00 13.45 H new ATOM 0 HE1 HIS A 68 1.297 15.165 6.257 1.00 71.32 H new ATOM 0 HE2 HIS A 68 0.803 12.825 7.117 1.00 42.42 H new ATOM 1094 N VAL A 69 2.195 10.003 1.675 1.00 1.13 N ATOM 1095 CA VAL A 69 1.167 8.964 1.680 1.00 53.22 C ATOM 1096 C VAL A 69 0.974 8.388 3.092 1.00 24.25 C ATOM 1097 O VAL A 69 1.946 8.051 3.780 1.00 21.11 O ATOM 1098 CB VAL A 69 1.538 7.815 0.706 1.00 74.22 C ATOM 1099 CG1 VAL A 69 0.396 6.806 0.584 1.00 42.21 C ATOM 1100 CG2 VAL A 69 1.925 8.368 -0.663 1.00 12.30 C ATOM 0 H VAL A 69 3.034 9.755 1.151 1.00 1.13 H new ATOM 0 HA VAL A 69 0.235 9.425 1.352 1.00 53.22 H new ATOM 0 HB VAL A 69 2.402 7.293 1.117 1.00 74.22 H new ATOM 0 HG11 VAL A 69 0.684 6.012 -0.105 1.00 42.21 H new ATOM 0 HG12 VAL A 69 0.183 6.377 1.563 1.00 42.21 H new ATOM 0 HG13 VAL A 69 -0.495 7.308 0.207 1.00 42.21 H new ATOM 0 HG21 VAL A 69 2.181 7.544 -1.329 1.00 12.30 H new ATOM 0 HG22 VAL A 69 1.086 8.925 -1.081 1.00 12.30 H new ATOM 0 HG23 VAL A 69 2.784 9.030 -0.558 1.00 12.30 H new ATOM 1110 N THR A 70 -0.277 8.282 3.525 1.00 64.44 N ATOM 1111 CA THR A 70 -0.589 7.752 4.856 1.00 52.51 C ATOM 1112 C THR A 70 -0.983 6.275 4.775 1.00 74.52 C ATOM 1113 O THR A 70 -1.045 5.696 3.690 1.00 63.31 O ATOM 1114 CB THR A 70 -1.743 8.535 5.532 1.00 71.41 C ATOM 1115 OG1 THR A 70 -2.986 8.266 4.864 1.00 35.15 O ATOM 1116 CG2 THR A 70 -1.469 10.038 5.518 1.00 33.34 C ATOM 0 H THR A 70 -1.094 8.554 2.978 1.00 64.44 H new ATOM 0 HA THR A 70 0.314 7.864 5.456 1.00 52.51 H new ATOM 0 HB THR A 70 -1.810 8.203 6.568 1.00 71.41 H new ATOM 0 HG1 THR A 70 -2.838 8.242 3.895 1.00 35.15 H new ATOM 0 HG21 THR A 70 -2.295 10.563 5.999 1.00 33.34 H new ATOM 0 HG22 THR A 70 -0.545 10.244 6.058 1.00 33.34 H new ATOM 0 HG23 THR A 70 -1.372 10.381 4.488 1.00 33.34 H new ATOM 1124 N GLN A 71 -1.252 5.661 5.922 1.00 12.30 N ATOM 1125 CA GLN A 71 -1.696 4.268 5.947 1.00 32.34 C ATOM 1126 C GLN A 71 -3.115 4.148 5.375 1.00 70.00 C ATOM 1127 O GLN A 71 -3.490 3.116 4.814 1.00 72.33 O ATOM 1128 CB GLN A 71 -1.650 3.717 7.377 1.00 42.50 C ATOM 1129 CG GLN A 71 -2.004 2.240 7.475 1.00 32.32 C ATOM 1130 CD GLN A 71 -1.960 1.717 8.897 1.00 20.23 C ATOM 1131 OE1 GLN A 71 -1.194 2.194 9.727 1.00 73.24 O ATOM 1132 NE2 GLN A 71 -2.790 0.741 9.193 1.00 2.41 N ATOM 0 H GLN A 71 -1.172 6.099 6.840 1.00 12.30 H new ATOM 0 HA GLN A 71 -1.020 3.679 5.326 1.00 32.34 H new ATOM 0 HB2 GLN A 71 -0.650 3.870 7.784 1.00 42.50 H new ATOM 0 HB3 GLN A 71 -2.338 4.289 8.000 1.00 42.50 H new ATOM 0 HG2 GLN A 71 -3.002 2.083 7.066 1.00 32.32 H new ATOM 0 HG3 GLN A 71 -1.313 1.664 6.860 1.00 32.32 H new ATOM 0 HE21 GLN A 71 -3.414 0.368 8.478 1.00 2.41 H new ATOM 0 HE22 GLN A 71 -2.810 0.357 10.138 1.00 2.41 H new ATOM 1141 N GLU A 72 -3.882 5.232 5.504 1.00 10.21 N ATOM 1142 CA GLU A 72 -5.261 5.283 5.009 1.00 60.13 C ATOM 1143 C GLU A 72 -5.316 4.958 3.509 1.00 73.01 C ATOM 1144 O GLU A 72 -6.136 4.155 3.063 1.00 72.35 O ATOM 1145 CB GLU A 72 -5.865 6.678 5.249 1.00 63.12 C ATOM 1146 CG GLU A 72 -5.616 7.248 6.645 1.00 64.44 C ATOM 1147 CD GLU A 72 -6.080 6.331 7.764 1.00 32.52 C ATOM 1148 OE1 GLU A 72 -7.307 6.223 7.984 1.00 74.35 O ATOM 1149 OE2 GLU A 72 -5.219 5.730 8.440 1.00 61.30 O ATOM 0 H GLU A 72 -3.569 6.094 5.951 1.00 10.21 H new ATOM 0 HA GLU A 72 -5.840 4.538 5.555 1.00 60.13 H new ATOM 0 HB2 GLU A 72 -5.456 7.368 4.511 1.00 63.12 H new ATOM 0 HB3 GLU A 72 -6.940 6.628 5.078 1.00 63.12 H new ATOM 0 HG2 GLU A 72 -4.550 7.444 6.764 1.00 64.44 H new ATOM 0 HG3 GLU A 72 -6.128 8.206 6.735 1.00 64.44 H new ATOM 1156 N ASP A 73 -4.426 5.586 2.742 1.00 73.24 N ATOM 1157 CA ASP A 73 -4.361 5.382 1.293 1.00 34.52 C ATOM 1158 C ASP A 73 -4.156 3.895 0.938 1.00 44.44 C ATOM 1159 O ASP A 73 -4.812 3.364 0.040 1.00 55.40 O ATOM 1160 CB ASP A 73 -3.224 6.221 0.702 1.00 32.22 C ATOM 1161 CG ASP A 73 -3.361 7.700 1.034 1.00 10.25 C ATOM 1162 OD1 ASP A 73 -4.047 8.421 0.283 1.00 61.13 O ATOM 1163 OD2 ASP A 73 -2.795 8.147 2.055 1.00 40.11 O ATOM 0 H ASP A 73 -3.735 6.245 3.102 1.00 73.24 H new ATOM 0 HA ASP A 73 -5.312 5.699 0.866 1.00 34.52 H new ATOM 0 HB2 ASP A 73 -2.270 5.853 1.080 1.00 32.22 H new ATOM 0 HB3 ASP A 73 -3.208 6.094 -0.381 1.00 32.22 H new ATOM 1168 N PHE A 74 -3.254 3.229 1.661 1.00 11.41 N ATOM 1169 CA PHE A 74 -2.956 1.810 1.415 1.00 0.14 C ATOM 1170 C PHE A 74 -4.159 0.898 1.710 1.00 74.22 C ATOM 1171 O PHE A 74 -4.540 0.081 0.872 1.00 2.12 O ATOM 1172 CB PHE A 74 -1.742 1.363 2.241 1.00 14.11 C ATOM 1173 CG PHE A 74 -0.429 1.898 1.726 1.00 73.12 C ATOM 1174 CD1 PHE A 74 0.062 3.120 2.161 1.00 22.41 C ATOM 1175 CD2 PHE A 74 0.314 1.176 0.799 1.00 30.44 C ATOM 1176 CE1 PHE A 74 1.264 3.608 1.684 1.00 10.33 C ATOM 1177 CE2 PHE A 74 1.515 1.659 0.322 1.00 55.15 C ATOM 1178 CZ PHE A 74 1.990 2.878 0.763 1.00 64.34 C ATOM 0 H PHE A 74 -2.716 3.645 2.421 1.00 11.41 H new ATOM 0 HA PHE A 74 -2.727 1.715 0.354 1.00 0.14 H new ATOM 0 HB2 PHE A 74 -1.877 1.687 3.273 1.00 14.11 H new ATOM 0 HB3 PHE A 74 -1.702 0.274 2.251 1.00 14.11 H new ATOM 0 HD1 PHE A 74 -0.501 3.696 2.880 1.00 22.41 H new ATOM 0 HD2 PHE A 74 -0.054 0.224 0.447 1.00 30.44 H new ATOM 0 HE1 PHE A 74 1.636 4.561 2.032 1.00 10.33 H new ATOM 0 HE2 PHE A 74 2.083 1.085 -0.395 1.00 55.15 H new ATOM 0 HZ PHE A 74 2.928 3.260 0.388 1.00 64.34 H new ATOM 1188 N GLU A 75 -4.758 1.034 2.895 1.00 0.24 N ATOM 1189 CA GLU A 75 -5.899 0.183 3.275 1.00 44.42 C ATOM 1190 C GLU A 75 -7.146 0.485 2.426 1.00 65.35 C ATOM 1191 O GLU A 75 -7.944 -0.412 2.141 1.00 62.24 O ATOM 1192 CB GLU A 75 -6.198 0.295 4.781 1.00 73.32 C ATOM 1193 CG GLU A 75 -6.367 1.718 5.300 1.00 64.14 C ATOM 1194 CD GLU A 75 -6.496 1.763 6.817 1.00 32.32 C ATOM 1195 OE1 GLU A 75 -5.464 1.642 7.514 1.00 35.24 O ATOM 1196 OE2 GLU A 75 -7.629 1.890 7.324 1.00 44.15 O ATOM 0 H GLU A 75 -4.481 1.714 3.603 1.00 0.24 H new ATOM 0 HA GLU A 75 -5.618 -0.850 3.069 1.00 44.42 H new ATOM 0 HB2 GLU A 75 -7.107 -0.265 4.998 1.00 73.32 H new ATOM 0 HB3 GLU A 75 -5.389 -0.183 5.333 1.00 73.32 H new ATOM 0 HG2 GLU A 75 -5.512 2.320 4.991 1.00 64.14 H new ATOM 0 HG3 GLU A 75 -7.252 2.166 4.848 1.00 64.14 H new ATOM 1203 N MET A 76 -7.311 1.744 2.013 1.00 54.24 N ATOM 1204 CA MET A 76 -8.352 2.103 1.038 1.00 3.14 C ATOM 1205 C MET A 76 -8.115 1.382 -0.298 1.00 63.13 C ATOM 1206 O MET A 76 -9.046 0.852 -0.909 1.00 70.13 O ATOM 1207 CB MET A 76 -8.389 3.623 0.807 1.00 13.20 C ATOM 1208 CG MET A 76 -9.005 4.408 1.956 1.00 33.13 C ATOM 1209 SD MET A 76 -10.746 4.009 2.215 1.00 73.31 S ATOM 1210 CE MET A 76 -11.448 4.459 0.625 1.00 24.25 C ATOM 0 H MET A 76 -6.744 2.529 2.334 1.00 54.24 H new ATOM 0 HA MET A 76 -9.312 1.788 1.447 1.00 3.14 H new ATOM 0 HB2 MET A 76 -7.373 3.980 0.640 1.00 13.20 H new ATOM 0 HB3 MET A 76 -8.952 3.828 -0.103 1.00 13.20 H new ATOM 0 HG2 MET A 76 -8.449 4.202 2.871 1.00 33.13 H new ATOM 0 HG3 MET A 76 -8.906 5.475 1.756 1.00 33.13 H new ATOM 0 HE1 MET A 76 -12.427 4.915 0.775 1.00 24.25 H new ATOM 0 HE2 MET A 76 -10.790 5.169 0.125 1.00 24.25 H new ATOM 0 HE3 MET A 76 -11.554 3.566 0.008 1.00 24.25 H new ATOM 1220 N ALA A 77 -6.858 1.366 -0.737 1.00 25.44 N ATOM 1221 CA ALA A 77 -6.468 0.657 -1.959 1.00 72.21 C ATOM 1222 C ALA A 77 -6.786 -0.843 -1.866 1.00 1.24 C ATOM 1223 O ALA A 77 -7.427 -1.409 -2.753 1.00 10.11 O ATOM 1224 CB ALA A 77 -4.983 0.870 -2.233 1.00 11.11 C ATOM 0 H ALA A 77 -6.087 1.838 -0.264 1.00 25.44 H new ATOM 0 HA ALA A 77 -7.048 1.066 -2.787 1.00 72.21 H new ATOM 0 HB1 ALA A 77 -4.701 0.340 -3.143 1.00 11.11 H new ATOM 0 HB2 ALA A 77 -4.785 1.935 -2.357 1.00 11.11 H new ATOM 0 HB3 ALA A 77 -4.400 0.488 -1.395 1.00 11.11 H new ATOM 1230 N VAL A 78 -6.343 -1.482 -0.780 1.00 14.53 N ATOM 1231 CA VAL A 78 -6.615 -2.909 -0.554 1.00 51.13 C ATOM 1232 C VAL A 78 -8.118 -3.210 -0.625 1.00 42.31 C ATOM 1233 O VAL A 78 -8.539 -4.206 -1.222 1.00 24.41 O ATOM 1234 CB VAL A 78 -6.072 -3.384 0.818 1.00 53.45 C ATOM 1235 CG1 VAL A 78 -6.372 -4.866 1.036 1.00 5.12 C ATOM 1236 CG2 VAL A 78 -4.575 -3.115 0.932 1.00 12.52 C ATOM 0 H VAL A 78 -5.795 -1.037 -0.043 1.00 14.53 H new ATOM 0 HA VAL A 78 -6.101 -3.451 -1.347 1.00 51.13 H new ATOM 0 HB VAL A 78 -6.579 -2.815 1.597 1.00 53.45 H new ATOM 0 HG11 VAL A 78 -5.982 -5.177 2.005 1.00 5.12 H new ATOM 0 HG12 VAL A 78 -7.450 -5.027 1.010 1.00 5.12 H new ATOM 0 HG13 VAL A 78 -5.899 -5.453 0.249 1.00 5.12 H new ATOM 0 HG21 VAL A 78 -4.217 -3.457 1.903 1.00 12.52 H new ATOM 0 HG22 VAL A 78 -4.048 -3.650 0.142 1.00 12.52 H new ATOM 0 HG23 VAL A 78 -4.389 -2.046 0.832 1.00 12.52 H new ATOM 1246 N ALA A 79 -8.923 -2.343 -0.015 1.00 1.35 N ATOM 1247 CA ALA A 79 -10.383 -2.474 -0.059 1.00 21.23 C ATOM 1248 C ALA A 79 -10.905 -2.474 -1.506 1.00 11.52 C ATOM 1249 O ALA A 79 -11.697 -3.331 -1.892 1.00 2.35 O ATOM 1250 CB ALA A 79 -11.034 -1.348 0.740 1.00 12.32 C ATOM 0 H ALA A 79 -8.591 -1.539 0.518 1.00 1.35 H new ATOM 0 HA ALA A 79 -10.649 -3.431 0.389 1.00 21.23 H new ATOM 0 HB1 ALA A 79 -12.118 -1.454 0.701 1.00 12.32 H new ATOM 0 HB2 ALA A 79 -10.701 -1.398 1.777 1.00 12.32 H new ATOM 0 HB3 ALA A 79 -10.748 -0.387 0.313 1.00 12.32 H new ATOM 1256 N LYS A 80 -10.431 -1.518 -2.304 1.00 61.12 N ATOM 1257 CA LYS A 80 -10.848 -1.384 -3.711 1.00 61.01 C ATOM 1258 C LYS A 80 -10.299 -2.526 -4.597 1.00 43.13 C ATOM 1259 O LYS A 80 -10.906 -2.890 -5.609 1.00 13.35 O ATOM 1260 CB LYS A 80 -10.389 -0.022 -4.254 1.00 55.21 C ATOM 1261 CG LYS A 80 -10.666 0.179 -5.740 1.00 2.11 C ATOM 1262 CD LYS A 80 -10.258 1.571 -6.207 1.00 3.43 C ATOM 1263 CE LYS A 80 -10.336 1.707 -7.723 1.00 14.43 C ATOM 1264 NZ LYS A 80 -9.342 0.835 -8.405 1.00 24.22 N ATOM 0 H LYS A 80 -9.753 -0.818 -2.003 1.00 61.12 H new ATOM 0 HA LYS A 80 -11.935 -1.450 -3.744 1.00 61.01 H new ATOM 0 HB2 LYS A 80 -10.887 0.768 -3.692 1.00 55.21 H new ATOM 0 HB3 LYS A 80 -9.319 0.086 -4.076 1.00 55.21 H new ATOM 0 HG2 LYS A 80 -10.124 -0.571 -6.316 1.00 2.11 H new ATOM 0 HG3 LYS A 80 -11.727 0.026 -5.936 1.00 2.11 H new ATOM 0 HD2 LYS A 80 -10.906 2.314 -5.742 1.00 3.43 H new ATOM 0 HD3 LYS A 80 -9.241 1.782 -5.875 1.00 3.43 H new ATOM 0 HE2 LYS A 80 -11.340 1.448 -8.061 1.00 14.43 H new ATOM 0 HE3 LYS A 80 -10.163 2.746 -8.005 1.00 14.43 H new ATOM 0 HZ1 LYS A 80 -9.305 1.075 -9.416 1.00 24.22 H new ATOM 0 HZ2 LYS A 80 -8.404 0.980 -7.980 1.00 24.22 H new ATOM 0 HZ3 LYS A 80 -9.621 -0.161 -8.296 1.00 24.22 H new ATOM 1278 N VAL A 81 -9.147 -3.078 -4.224 1.00 40.14 N ATOM 1279 CA VAL A 81 -8.534 -4.183 -4.982 1.00 3.23 C ATOM 1280 C VAL A 81 -9.188 -5.536 -4.644 1.00 33.42 C ATOM 1281 O VAL A 81 -9.647 -6.255 -5.532 1.00 30.10 O ATOM 1282 CB VAL A 81 -7.005 -4.273 -4.721 1.00 12.41 C ATOM 1283 CG1 VAL A 81 -6.393 -5.483 -5.429 1.00 44.03 C ATOM 1284 CG2 VAL A 81 -6.307 -2.984 -5.158 1.00 21.21 C ATOM 0 H VAL A 81 -8.615 -2.784 -3.405 1.00 40.14 H new ATOM 0 HA VAL A 81 -8.702 -3.965 -6.037 1.00 3.23 H new ATOM 0 HB VAL A 81 -6.856 -4.401 -3.649 1.00 12.41 H new ATOM 0 HG11 VAL A 81 -5.322 -5.519 -5.228 1.00 44.03 H new ATOM 0 HG12 VAL A 81 -6.862 -6.395 -5.061 1.00 44.03 H new ATOM 0 HG13 VAL A 81 -6.558 -5.398 -6.503 1.00 44.03 H new ATOM 0 HG21 VAL A 81 -5.237 -3.067 -4.967 1.00 21.21 H new ATOM 0 HG22 VAL A 81 -6.474 -2.823 -6.223 1.00 21.21 H new ATOM 0 HG23 VAL A 81 -6.712 -2.142 -4.596 1.00 21.21 H new ATOM 1294 N MET A 82 -9.227 -5.878 -3.357 1.00 25.55 N ATOM 1295 CA MET A 82 -9.796 -7.157 -2.908 1.00 64.33 C ATOM 1296 C MET A 82 -11.331 -7.100 -2.787 1.00 25.32 C ATOM 1297 O MET A 82 -11.988 -8.137 -2.665 1.00 34.42 O ATOM 1298 CB MET A 82 -9.172 -7.567 -1.569 1.00 0.20 C ATOM 1299 CG MET A 82 -7.656 -7.723 -1.623 1.00 51.40 C ATOM 1300 SD MET A 82 -7.118 -8.925 -2.862 1.00 40.43 S ATOM 1301 CE MET A 82 -7.852 -10.436 -2.233 1.00 41.12 C ATOM 0 H MET A 82 -8.872 -5.290 -2.603 1.00 25.55 H new ATOM 0 HA MET A 82 -9.559 -7.905 -3.664 1.00 64.33 H new ATOM 0 HB2 MET A 82 -9.425 -6.820 -0.816 1.00 0.20 H new ATOM 0 HB3 MET A 82 -9.614 -8.509 -1.245 1.00 0.20 H new ATOM 0 HG2 MET A 82 -7.204 -6.756 -1.842 1.00 51.40 H new ATOM 0 HG3 MET A 82 -7.292 -8.031 -0.643 1.00 51.40 H new ATOM 0 HE1 MET A 82 -7.711 -11.238 -2.957 1.00 41.12 H new ATOM 0 HE2 MET A 82 -7.374 -10.708 -1.292 1.00 41.12 H new ATOM 0 HE3 MET A 82 -8.918 -10.281 -2.067 1.00 41.12 H new ATOM 1311 N GLN A 83 -11.891 -5.886 -2.807 1.00 3.10 N ATOM 1312 CA GLN A 83 -13.350 -5.680 -2.778 1.00 42.20 C ATOM 1313 C GLN A 83 -14.007 -6.338 -1.549 1.00 35.12 C ATOM 1314 O GLN A 83 -15.140 -6.820 -1.618 1.00 61.32 O ATOM 1315 CB GLN A 83 -13.981 -6.212 -4.074 1.00 73.53 C ATOM 1316 CG GLN A 83 -13.477 -5.508 -5.333 1.00 74.00 C ATOM 1317 CD GLN A 83 -14.060 -6.090 -6.610 1.00 71.13 C ATOM 1318 OE1 GLN A 83 -14.361 -7.278 -6.686 1.00 64.44 O ATOM 1319 NE2 GLN A 83 -14.219 -5.265 -7.624 1.00 11.05 N ATOM 0 H GLN A 83 -11.353 -5.020 -2.844 1.00 3.10 H new ATOM 0 HA GLN A 83 -13.530 -4.608 -2.701 1.00 42.20 H new ATOM 0 HB2 GLN A 83 -13.775 -7.279 -4.157 1.00 73.53 H new ATOM 0 HB3 GLN A 83 -15.064 -6.100 -4.014 1.00 73.53 H new ATOM 0 HG2 GLN A 83 -13.727 -4.449 -5.275 1.00 74.00 H new ATOM 0 HG3 GLN A 83 -12.390 -5.577 -5.371 1.00 74.00 H new ATOM 0 HE21 GLN A 83 -13.959 -4.283 -7.528 1.00 11.05 H new ATOM 0 HE22 GLN A 83 -14.602 -5.608 -8.505 1.00 11.05 H new ATOM 1328 N LYS A 84 -13.303 -6.319 -0.419 1.00 34.05 N ATOM 1329 CA LYS A 84 -13.784 -6.970 0.806 1.00 50.35 C ATOM 1330 C LYS A 84 -14.265 -5.956 1.854 1.00 35.21 C ATOM 1331 O LYS A 84 -13.725 -4.853 1.973 1.00 41.43 O ATOM 1332 CB LYS A 84 -12.675 -7.846 1.406 1.00 64.54 C ATOM 1333 CG LYS A 84 -12.269 -9.015 0.514 1.00 32.02 C ATOM 1334 CD LYS A 84 -13.422 -9.996 0.307 1.00 0.11 C ATOM 1335 CE LYS A 84 -13.044 -11.118 -0.651 1.00 65.12 C ATOM 1336 NZ LYS A 84 -12.776 -10.605 -2.019 1.00 44.15 N ATOM 0 H LYS A 84 -12.397 -5.861 -0.322 1.00 34.05 H new ATOM 0 HA LYS A 84 -14.638 -7.588 0.529 1.00 50.35 H new ATOM 0 HB2 LYS A 84 -11.799 -7.227 1.600 1.00 64.54 H new ATOM 0 HB3 LYS A 84 -13.010 -8.234 2.368 1.00 64.54 H new ATOM 0 HG2 LYS A 84 -11.935 -8.637 -0.452 1.00 32.02 H new ATOM 0 HG3 LYS A 84 -11.423 -9.537 0.961 1.00 32.02 H new ATOM 0 HD2 LYS A 84 -13.715 -10.421 1.267 1.00 0.11 H new ATOM 0 HD3 LYS A 84 -14.289 -9.462 -0.083 1.00 0.11 H new ATOM 0 HE2 LYS A 84 -12.160 -11.634 -0.276 1.00 65.12 H new ATOM 0 HE3 LYS A 84 -13.850 -11.851 -0.689 1.00 65.12 H new ATOM 0 HZ1 LYS A 84 -13.489 -10.981 -2.676 1.00 44.15 H new ATOM 0 HZ2 LYS A 84 -12.822 -9.566 -2.015 1.00 44.15 H new ATOM 0 HZ3 LYS A 84 -11.829 -10.909 -2.324 1.00 44.15 H new ATOM 1350 N ASP A 85 -15.288 -6.347 2.612 1.00 1.45 N ATOM 1351 CA ASP A 85 -15.811 -5.533 3.713 1.00 71.15 C ATOM 1352 C ASP A 85 -15.539 -6.214 5.067 1.00 24.20 C ATOM 1353 O ASP A 85 -15.096 -7.365 5.113 1.00 13.05 O ATOM 1354 CB ASP A 85 -17.319 -5.314 3.529 1.00 51.15 C ATOM 1355 CG ASP A 85 -17.656 -4.726 2.169 1.00 72.14 C ATOM 1356 OD1 ASP A 85 -17.870 -5.507 1.214 1.00 52.14 O ATOM 1357 OD2 ASP A 85 -17.707 -3.481 2.046 1.00 33.22 O ATOM 0 H ASP A 85 -15.777 -7.233 2.483 1.00 1.45 H new ATOM 0 HA ASP A 85 -15.304 -4.568 3.704 1.00 71.15 H new ATOM 0 HB2 ASP A 85 -17.839 -6.264 3.650 1.00 51.15 H new ATOM 0 HB3 ASP A 85 -17.685 -4.648 4.311 1.00 51.15 H new ATOM 1362 N SER A 86 -15.791 -5.503 6.164 1.00 30.14 N ATOM 1363 CA SER A 86 -15.613 -6.065 7.519 1.00 74.31 C ATOM 1364 C SER A 86 -16.539 -5.380 8.539 1.00 20.42 C ATOM 1365 O SER A 86 -16.119 -4.379 9.161 1.00 38.16 O ATOM 1366 CB SER A 86 -14.147 -5.952 7.978 1.00 3.23 C ATOM 1367 OG SER A 86 -13.293 -6.777 7.193 1.00 63.05 O ATOM 1368 OXT SER A 86 -17.692 -5.844 8.702 1.00 38.16 O ATOM 0 H SER A 86 -16.119 -4.537 6.151 1.00 30.14 H new ATOM 0 HA SER A 86 -15.882 -7.120 7.467 1.00 74.31 H new ATOM 0 HB2 SER A 86 -13.820 -4.915 7.906 1.00 3.23 H new ATOM 0 HB3 SER A 86 -14.069 -6.239 9.027 1.00 3.23 H new ATOM 0 HG SER A 86 -13.813 -7.200 6.478 1.00 63.05 H new TER 1374 SER A 86