USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 718 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 37 TYR OH : rot -15:sc= -0.648 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 162:sc= 0.364 (180deg=0) USER MOD Set 2.1: A 18 SER OG : rot -170:sc= 0.517 USER MOD Set 2.2: A 44 LYS NZ :NH3+ 169:sc= 0.635 (180deg=0) USER MOD Single : A 0 SER OG : rot 180:sc= -0.674 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -7 SER OG : rot 180:sc= 0 USER MOD Single : A -8 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= -1.14 (180deg=-1.37) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -2.68 K(o=-2.7,f=-14!) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.302 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 35 ASN : amide:sc= -0.0968 K(o=-0.097,f=-1.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 52 TYR OH : rot -54:sc= -4.44! USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= -0.0623 (180deg=-0.452) USER MOD Single : A 58 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-6.1!) USER MOD Single : A 64 THR OG1 : rot 11:sc= 1.7 USER MOD Single : B 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00767) USER MOD Single : B 11 THR OG1 : rot -85:sc= -0.448! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -8 15.102 -5.854 -34.429 1.00 0.00 N ATOM 2 CA GLY A -8 14.894 -4.373 -34.861 1.00 0.00 C ATOM 3 C GLY A -8 13.981 -4.059 -35.961 1.00 0.00 C ATOM 4 O GLY A -8 13.292 -4.921 -36.465 1.00 0.00 O ATOM 0 H1 GLY A -8 15.778 -5.894 -33.640 1.00 0.00 H new ATOM 0 H2 GLY A -8 14.193 -6.259 -34.127 1.00 0.00 H new ATOM 0 H3 GLY A -8 15.475 -6.401 -35.231 1.00 0.00 H new ATOM 0 HA2 GLY A -8 14.549 -3.824 -33.985 1.00 0.00 H new ATOM 0 HA3 GLY A -8 15.872 -3.971 -35.125 1.00 0.00 H new ATOM 10 N SER A -7 13.943 -2.816 -36.374 1.00 0.00 N ATOM 11 CA SER A -7 13.037 -2.410 -37.496 1.00 0.00 C ATOM 12 C SER A -7 11.569 -2.710 -37.119 1.00 0.00 C ATOM 13 O SER A -7 10.889 -1.868 -36.561 1.00 0.00 O ATOM 14 CB SER A -7 13.429 -3.161 -38.774 1.00 0.00 C ATOM 15 OG SER A -7 14.551 -2.521 -39.371 1.00 0.00 O ATOM 0 H SER A -7 14.503 -2.060 -35.980 1.00 0.00 H new ATOM 0 HA SER A -7 13.138 -1.339 -37.675 1.00 0.00 H new ATOM 0 HB2 SER A -7 13.669 -4.198 -38.541 1.00 0.00 H new ATOM 0 HB3 SER A -7 12.591 -3.177 -39.471 1.00 0.00 H new ATOM 0 HG SER A -7 14.805 -3.000 -40.187 1.00 0.00 H new ATOM 21 N ARG A -6 11.071 -3.899 -37.417 1.00 0.00 N ATOM 22 CA ARG A -6 9.653 -4.237 -37.074 1.00 0.00 C ATOM 23 C ARG A -6 8.709 -3.306 -37.835 1.00 0.00 C ATOM 24 O ARG A -6 8.624 -2.125 -37.550 1.00 0.00 O ATOM 25 CB ARG A -6 9.427 -4.074 -35.565 1.00 0.00 C ATOM 26 CG ARG A -6 8.227 -4.921 -35.133 1.00 0.00 C ATOM 27 CD ARG A -6 8.619 -6.400 -35.124 1.00 0.00 C ATOM 28 NE ARG A -6 9.000 -6.807 -33.742 1.00 0.00 N ATOM 29 CZ ARG A -6 9.098 -8.072 -33.438 1.00 0.00 C ATOM 30 NH1 ARG A -6 8.117 -8.888 -33.711 1.00 0.00 N ATOM 31 NH2 ARG A -6 10.179 -8.522 -32.860 1.00 0.00 N ATOM 0 H ARG A -6 11.590 -4.643 -37.882 1.00 0.00 H new ATOM 0 HA ARG A -6 9.453 -5.271 -37.356 1.00 0.00 H new ATOM 0 HB2 ARG A -6 10.318 -4.381 -35.018 1.00 0.00 H new ATOM 0 HB3 ARG A -6 9.251 -3.026 -35.324 1.00 0.00 H new ATOM 0 HG2 ARG A -6 7.893 -4.617 -34.141 1.00 0.00 H new ATOM 0 HG3 ARG A -6 7.391 -4.760 -35.814 1.00 0.00 H new ATOM 0 HD2 ARG A -6 7.787 -7.009 -35.477 1.00 0.00 H new ATOM 0 HD3 ARG A -6 9.451 -6.570 -35.807 1.00 0.00 H new ATOM 0 HE ARG A -6 9.184 -6.097 -33.034 1.00 0.00 H new ATOM 0 HH11 ARG A -6 7.272 -8.537 -34.163 1.00 0.00 H new ATOM 0 HH12 ARG A -6 8.195 -9.877 -33.473 1.00 0.00 H new ATOM 0 HH21 ARG A -6 10.946 -7.885 -32.646 1.00 0.00 H new ATOM 0 HH22 ARG A -6 10.256 -9.511 -32.622 1.00 0.00 H new ATOM 45 N ARG A -5 8.000 -3.830 -38.805 1.00 0.00 N ATOM 46 CA ARG A -5 7.057 -2.983 -39.595 1.00 0.00 C ATOM 47 C ARG A -5 5.632 -3.503 -39.415 1.00 0.00 C ATOM 48 O ARG A -5 5.325 -4.632 -39.753 1.00 0.00 O ATOM 49 CB ARG A -5 7.439 -3.041 -41.075 1.00 0.00 C ATOM 50 CG ARG A -5 8.524 -2.001 -41.365 1.00 0.00 C ATOM 51 CD ARG A -5 9.288 -2.398 -42.628 1.00 0.00 C ATOM 52 NE ARG A -5 10.590 -1.673 -42.670 1.00 0.00 N ATOM 53 CZ ARG A -5 11.108 -1.327 -43.817 1.00 0.00 C ATOM 54 NH1 ARG A -5 10.377 -0.710 -44.703 1.00 0.00 N ATOM 55 NH2 ARG A -5 12.358 -1.600 -44.077 1.00 0.00 N ATOM 0 H ARG A -5 8.035 -4.811 -39.083 1.00 0.00 H new ATOM 0 HA ARG A -5 7.113 -1.952 -39.245 1.00 0.00 H new ATOM 0 HB2 ARG A -5 7.799 -4.038 -41.330 1.00 0.00 H new ATOM 0 HB3 ARG A -5 6.563 -2.850 -41.695 1.00 0.00 H new ATOM 0 HG2 ARG A -5 8.074 -1.017 -41.494 1.00 0.00 H new ATOM 0 HG3 ARG A -5 9.209 -1.930 -40.520 1.00 0.00 H new ATOM 0 HD2 ARG A -5 9.459 -3.475 -42.639 1.00 0.00 H new ATOM 0 HD3 ARG A -5 8.698 -2.159 -43.513 1.00 0.00 H new ATOM 0 HE ARG A -5 11.076 -1.447 -41.802 1.00 0.00 H new ATOM 0 HH11 ARG A -5 9.400 -0.498 -44.500 1.00 0.00 H new ATOM 0 HH12 ARG A -5 10.782 -0.440 -45.599 1.00 0.00 H new ATOM 0 HH21 ARG A -5 12.929 -2.083 -43.384 1.00 0.00 H new ATOM 0 HH22 ARG A -5 12.763 -1.330 -44.973 1.00 0.00 H new ATOM 69 N ALA A -4 4.755 -2.685 -38.886 1.00 0.00 N ATOM 70 CA ALA A -4 3.343 -3.121 -38.679 1.00 0.00 C ATOM 71 C ALA A -4 2.396 -2.024 -39.167 1.00 0.00 C ATOM 72 O ALA A -4 2.824 -1.018 -39.706 1.00 0.00 O ATOM 73 CB ALA A -4 3.101 -3.376 -37.189 1.00 0.00 C ATOM 0 H ALA A -4 4.959 -1.731 -38.588 1.00 0.00 H new ATOM 0 HA ALA A -4 3.159 -4.038 -39.239 1.00 0.00 H new ATOM 0 HB1 ALA A -4 2.070 -3.695 -37.037 1.00 0.00 H new ATOM 0 HB2 ALA A -4 3.777 -4.156 -36.839 1.00 0.00 H new ATOM 0 HB3 ALA A -4 3.284 -2.459 -36.629 1.00 0.00 H new ATOM 79 N SER A -3 1.114 -2.212 -38.981 1.00 0.00 N ATOM 80 CA SER A -3 0.129 -1.184 -39.429 1.00 0.00 C ATOM 81 C SER A -3 -0.495 -0.512 -38.204 1.00 0.00 C ATOM 82 O SER A -3 -0.690 -1.136 -37.177 1.00 0.00 O ATOM 83 CB SER A -3 -0.966 -1.855 -40.256 1.00 0.00 C ATOM 84 OG SER A -3 -2.040 -0.941 -40.444 1.00 0.00 O ATOM 0 H SER A -3 0.707 -3.035 -38.537 1.00 0.00 H new ATOM 0 HA SER A -3 0.635 -0.434 -40.038 1.00 0.00 H new ATOM 0 HB2 SER A -3 -0.568 -2.170 -41.221 1.00 0.00 H new ATOM 0 HB3 SER A -3 -1.321 -2.753 -39.750 1.00 0.00 H new ATOM 0 HG SER A -3 -2.744 -1.368 -40.976 1.00 0.00 H new ATOM 90 N VAL A -2 -0.810 0.758 -38.306 1.00 0.00 N ATOM 91 CA VAL A -2 -1.423 1.479 -37.149 1.00 0.00 C ATOM 92 C VAL A -2 -2.768 0.835 -36.803 1.00 0.00 C ATOM 93 O VAL A -2 -3.665 0.771 -37.624 1.00 0.00 O ATOM 94 CB VAL A -2 -1.640 2.948 -37.519 1.00 0.00 C ATOM 95 CG1 VAL A -2 -2.107 3.722 -36.285 1.00 0.00 C ATOM 96 CG2 VAL A -2 -0.325 3.546 -38.027 1.00 0.00 C ATOM 0 H VAL A -2 -0.668 1.325 -39.142 1.00 0.00 H new ATOM 0 HA VAL A -2 -0.758 1.417 -36.288 1.00 0.00 H new ATOM 0 HB VAL A -2 -2.397 3.017 -38.300 1.00 0.00 H new ATOM 0 HG11 VAL A -2 -2.261 4.768 -36.549 1.00 0.00 H new ATOM 0 HG12 VAL A -2 -3.043 3.297 -35.922 1.00 0.00 H new ATOM 0 HG13 VAL A -2 -1.350 3.653 -35.504 1.00 0.00 H new ATOM 0 HG21 VAL A -2 -0.479 4.592 -38.291 1.00 0.00 H new ATOM 0 HG22 VAL A -2 0.432 3.476 -37.246 1.00 0.00 H new ATOM 0 HG23 VAL A -2 0.009 2.996 -38.906 1.00 0.00 H new ATOM 106 N GLY A -1 -2.910 0.351 -35.593 1.00 0.00 N ATOM 107 CA GLY A -1 -4.190 -0.297 -35.183 1.00 0.00 C ATOM 108 C GLY A -1 -4.006 -0.963 -33.825 1.00 0.00 C ATOM 109 O GLY A -1 -4.771 -0.748 -32.904 1.00 0.00 O ATOM 0 H GLY A -1 -2.190 0.378 -34.871 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -4.986 0.445 -35.132 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -4.491 -1.036 -35.925 1.00 0.00 H new ATOM 113 N SER A 0 -2.989 -1.776 -33.699 1.00 0.00 N ATOM 114 CA SER A 0 -2.723 -2.479 -32.402 1.00 0.00 C ATOM 115 C SER A 0 -3.842 -3.473 -32.119 1.00 0.00 C ATOM 116 O SER A 0 -4.750 -3.650 -32.911 1.00 0.00 O ATOM 117 CB SER A 0 -2.633 -1.466 -31.249 1.00 0.00 C ATOM 118 OG SER A 0 -2.355 -0.173 -31.776 1.00 0.00 O ATOM 0 H SER A 0 -2.324 -1.986 -34.444 1.00 0.00 H new ATOM 0 HA SER A 0 -1.773 -3.008 -32.480 1.00 0.00 H new ATOM 0 HB2 SER A 0 -3.569 -1.450 -30.691 1.00 0.00 H new ATOM 0 HB3 SER A 0 -1.850 -1.762 -30.550 1.00 0.00 H new ATOM 0 HG SER A 0 -2.299 0.474 -31.042 1.00 0.00 H new ATOM 124 N MET A 1 -3.777 -4.120 -30.992 1.00 0.00 N ATOM 125 CA MET A 1 -4.821 -5.113 -30.623 1.00 0.00 C ATOM 126 C MET A 1 -5.459 -4.706 -29.320 1.00 0.00 C ATOM 127 O MET A 1 -5.211 -3.625 -28.811 1.00 0.00 O ATOM 128 CB MET A 1 -4.188 -6.499 -30.474 1.00 0.00 C ATOM 129 CG MET A 1 -4.232 -7.214 -31.813 1.00 0.00 C ATOM 130 SD MET A 1 -3.074 -6.435 -32.966 1.00 0.00 S ATOM 131 CE MET A 1 -1.797 -7.715 -32.908 1.00 0.00 C ATOM 0 H MET A 1 -3.035 -4.002 -30.302 1.00 0.00 H new ATOM 0 HA MET A 1 -5.579 -5.149 -31.405 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.157 -6.406 -30.131 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.724 -7.078 -29.721 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.976 -8.265 -31.682 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.242 -7.180 -32.220 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.970 -7.434 -33.560 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.433 -7.820 -31.886 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.217 -8.663 -33.243 1.00 0.00 H new ATOM 141 N GLU A 2 -6.278 -5.558 -28.763 1.00 0.00 N ATOM 142 CA GLU A 2 -6.922 -5.235 -27.503 1.00 0.00 C ATOM 143 C GLU A 2 -6.520 -6.300 -26.517 1.00 0.00 C ATOM 144 O GLU A 2 -5.816 -7.232 -26.856 1.00 0.00 O ATOM 145 CB GLU A 2 -8.440 -5.249 -27.710 1.00 0.00 C ATOM 146 CG GLU A 2 -9.050 -3.931 -27.229 1.00 0.00 C ATOM 147 CD GLU A 2 -10.359 -3.672 -27.977 1.00 0.00 C ATOM 148 OE1 GLU A 2 -10.347 -3.740 -29.196 1.00 0.00 O ATOM 149 OE2 GLU A 2 -11.354 -3.412 -27.320 1.00 0.00 O ATOM 0 H GLU A 2 -6.517 -6.471 -29.150 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.628 -4.251 -27.138 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.669 -5.401 -28.765 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.881 -6.083 -27.164 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.234 -3.974 -26.156 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.352 -3.111 -27.400 1.00 0.00 H new ATOM 156 N ALA A 3 -6.955 -6.175 -25.319 1.00 0.00 N ATOM 157 CA ALA A 3 -6.616 -7.192 -24.295 1.00 0.00 C ATOM 158 C ALA A 3 -7.672 -7.198 -23.205 1.00 0.00 C ATOM 159 O ALA A 3 -7.886 -6.225 -22.514 1.00 0.00 O ATOM 160 CB ALA A 3 -5.271 -6.893 -23.714 1.00 0.00 C ATOM 0 H ALA A 3 -7.539 -5.406 -24.990 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.588 -8.178 -24.760 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.025 -7.642 -22.962 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.521 -6.912 -24.504 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.286 -5.906 -23.252 1.00 0.00 H new ATOM 166 N ILE A 4 -8.351 -8.290 -23.081 1.00 0.00 N ATOM 167 CA ILE A 4 -9.446 -8.417 -22.085 1.00 0.00 C ATOM 168 C ILE A 4 -8.949 -8.249 -20.669 1.00 0.00 C ATOM 169 O ILE A 4 -8.129 -8.999 -20.185 1.00 0.00 O ATOM 170 CB ILE A 4 -10.093 -9.790 -22.243 1.00 0.00 C ATOM 171 CG1 ILE A 4 -11.101 -10.041 -21.101 1.00 0.00 C ATOM 172 CG2 ILE A 4 -9.032 -10.882 -22.243 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.358 -10.603 -21.682 1.00 0.00 C ATOM 0 H ILE A 4 -8.192 -9.127 -23.642 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.171 -7.624 -22.270 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.622 -9.813 -23.196 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.680 -10.733 -20.372 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.312 -9.111 -20.573 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.511 -11.855 -22.357 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.342 -10.719 -23.071 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.483 -10.856 -21.302 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.078 -10.785 -20.884 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.778 -9.894 -22.395 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -12.136 -11.541 -22.191 1.00 0.00 H new ATOM 185 N ALA A 5 -9.517 -7.310 -19.986 1.00 0.00 N ATOM 186 CA ALA A 5 -9.157 -7.114 -18.546 1.00 0.00 C ATOM 187 C ALA A 5 -9.712 -8.312 -17.774 1.00 0.00 C ATOM 188 O ALA A 5 -10.897 -8.394 -17.509 1.00 0.00 O ATOM 189 CB ALA A 5 -9.782 -5.836 -17.994 1.00 0.00 C ATOM 0 H ALA A 5 -10.216 -6.664 -20.352 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.075 -7.032 -18.444 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.504 -5.718 -16.947 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.422 -4.979 -18.563 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.867 -5.896 -18.077 1.00 0.00 H new ATOM 195 N LYS A 6 -8.874 -9.255 -17.447 1.00 0.00 N ATOM 196 CA LYS A 6 -9.349 -10.479 -16.729 1.00 0.00 C ATOM 197 C LYS A 6 -10.041 -10.116 -15.403 1.00 0.00 C ATOM 198 O LYS A 6 -10.929 -10.814 -14.952 1.00 0.00 O ATOM 199 CB LYS A 6 -8.153 -11.374 -16.431 1.00 0.00 C ATOM 200 CG LYS A 6 -7.516 -11.811 -17.738 1.00 0.00 C ATOM 201 CD LYS A 6 -6.104 -12.335 -17.470 1.00 0.00 C ATOM 202 CE LYS A 6 -6.176 -13.621 -16.645 1.00 0.00 C ATOM 203 NZ LYS A 6 -6.330 -14.788 -17.557 1.00 0.00 N ATOM 0 H LYS A 6 -7.874 -9.234 -17.646 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.069 -10.993 -17.366 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.426 -10.838 -15.820 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.470 -12.246 -15.858 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.120 -12.588 -18.207 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.478 -10.973 -18.434 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.592 -12.525 -18.413 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.522 -11.583 -16.938 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.273 -13.732 -16.045 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.016 -13.574 -15.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.379 -15.663 -16.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.204 -14.683 -18.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.515 -14.835 -18.201 1.00 0.00 H new ATOM 217 N TYR A 7 -9.633 -9.042 -14.774 1.00 0.00 N ATOM 218 CA TYR A 7 -10.259 -8.644 -13.463 1.00 0.00 C ATOM 219 C TYR A 7 -10.319 -7.140 -13.376 1.00 0.00 C ATOM 220 O TYR A 7 -10.029 -6.431 -14.324 1.00 0.00 O ATOM 221 CB TYR A 7 -9.422 -9.158 -12.265 1.00 0.00 C ATOM 222 CG TYR A 7 -8.912 -10.557 -12.497 1.00 0.00 C ATOM 223 CD1 TYR A 7 -7.889 -10.784 -13.418 1.00 0.00 C ATOM 224 CD2 TYR A 7 -9.449 -11.623 -11.769 1.00 0.00 C ATOM 225 CE1 TYR A 7 -7.401 -12.075 -13.622 1.00 0.00 C ATOM 226 CE2 TYR A 7 -8.960 -12.921 -11.968 1.00 0.00 C ATOM 227 CZ TYR A 7 -7.935 -13.147 -12.896 1.00 0.00 C ATOM 228 OH TYR A 7 -7.452 -14.424 -13.094 1.00 0.00 O ATOM 0 H TYR A 7 -8.895 -8.421 -15.106 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.257 -9.081 -13.420 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.579 -8.487 -12.096 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.031 -9.138 -11.361 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.473 -9.957 -13.975 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -10.239 -11.446 -11.054 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.612 -12.248 -14.339 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.373 -13.746 -11.407 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.931 -15.049 -12.510 1.00 0.00 H new ATOM 238 N ASP A 8 -10.694 -6.652 -12.237 1.00 0.00 N ATOM 239 CA ASP A 8 -10.787 -5.202 -12.035 1.00 0.00 C ATOM 240 C ASP A 8 -9.410 -4.655 -11.624 1.00 0.00 C ATOM 241 O ASP A 8 -8.524 -5.401 -11.254 1.00 0.00 O ATOM 242 CB ASP A 8 -11.844 -4.938 -10.968 1.00 0.00 C ATOM 243 CG ASP A 8 -11.364 -5.431 -9.592 1.00 0.00 C ATOM 244 OD1 ASP A 8 -11.433 -6.627 -9.355 1.00 0.00 O ATOM 245 OD2 ASP A 8 -10.941 -4.604 -8.802 1.00 0.00 O ATOM 0 H ASP A 8 -10.944 -7.214 -11.424 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.081 -4.693 -12.953 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.062 -3.871 -10.922 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.773 -5.442 -11.237 1.00 0.00 H new ATOM 250 N PHE A 9 -9.226 -3.365 -11.711 1.00 0.00 N ATOM 251 CA PHE A 9 -7.918 -2.755 -11.359 1.00 0.00 C ATOM 252 C PHE A 9 -8.047 -1.219 -11.522 1.00 0.00 C ATOM 253 O PHE A 9 -8.993 -0.734 -12.106 1.00 0.00 O ATOM 254 CB PHE A 9 -6.852 -3.331 -12.322 1.00 0.00 C ATOM 255 CG PHE A 9 -5.555 -2.579 -12.206 1.00 0.00 C ATOM 256 CD1 PHE A 9 -5.362 -1.437 -12.970 1.00 0.00 C ATOM 257 CD2 PHE A 9 -4.557 -3.028 -11.343 1.00 0.00 C ATOM 258 CE1 PHE A 9 -4.158 -0.728 -12.877 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.351 -2.327 -11.245 1.00 0.00 C ATOM 260 CZ PHE A 9 -3.150 -1.175 -12.013 1.00 0.00 C ATOM 0 H PHE A 9 -9.938 -2.702 -12.016 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.625 -2.977 -10.333 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.686 -4.385 -12.098 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.217 -3.277 -13.348 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.140 -1.095 -13.636 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.715 -3.917 -10.750 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.007 0.162 -13.470 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.576 -2.674 -10.578 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.220 -0.631 -11.940 1.00 0.00 H new ATOM 270 N LYS A 10 -7.108 -0.461 -11.009 1.00 0.00 N ATOM 271 CA LYS A 10 -7.193 1.033 -11.145 1.00 0.00 C ATOM 272 C LYS A 10 -5.821 1.610 -11.386 1.00 0.00 C ATOM 273 O LYS A 10 -4.820 1.081 -10.940 1.00 0.00 O ATOM 274 CB LYS A 10 -7.804 1.629 -9.871 1.00 0.00 C ATOM 275 CG LYS A 10 -9.244 2.068 -10.147 1.00 0.00 C ATOM 276 CD LYS A 10 -9.926 2.437 -8.826 1.00 0.00 C ATOM 277 CE LYS A 10 -9.528 3.860 -8.425 1.00 0.00 C ATOM 278 NZ LYS A 10 -10.374 4.312 -7.282 1.00 0.00 N ATOM 0 H LYS A 10 -6.291 -0.806 -10.505 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.828 1.282 -11.996 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.786 0.892 -9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.212 2.480 -9.536 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.252 2.922 -10.824 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.792 1.265 -10.640 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.009 2.367 -8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.636 1.733 -8.046 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.475 3.889 -8.145 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.651 4.535 -9.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.103 5.279 -7.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.375 4.300 -7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.235 3.673 -6.473 1.00 0.00 H new ATOM 292 N ALA A 11 -5.768 2.708 -12.105 1.00 0.00 N ATOM 293 CA ALA A 11 -4.463 3.341 -12.401 1.00 0.00 C ATOM 294 C ALA A 11 -3.793 3.744 -11.084 1.00 0.00 C ATOM 295 O ALA A 11 -4.412 4.344 -10.222 1.00 0.00 O ATOM 296 CB ALA A 11 -4.658 4.579 -13.271 1.00 0.00 C ATOM 0 H ALA A 11 -6.580 3.186 -12.496 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.835 2.631 -12.939 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.689 5.033 -13.480 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.135 4.293 -14.209 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.290 5.296 -12.747 1.00 0.00 H new ATOM 302 N THR A 12 -2.544 3.409 -10.917 1.00 0.00 N ATOM 303 CA THR A 12 -1.835 3.754 -9.648 1.00 0.00 C ATOM 304 C THR A 12 -0.737 4.782 -9.927 1.00 0.00 C ATOM 305 O THR A 12 0.358 4.693 -9.401 1.00 0.00 O ATOM 306 CB THR A 12 -1.218 2.487 -9.060 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.691 1.690 -10.114 1.00 0.00 O ATOM 308 CG2 THR A 12 -2.289 1.698 -8.310 1.00 0.00 C ATOM 0 H THR A 12 -1.980 2.910 -11.605 1.00 0.00 H new ATOM 0 HA THR A 12 -2.545 4.180 -8.939 1.00 0.00 H new ATOM 0 HB THR A 12 -0.419 2.756 -8.369 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.293 0.876 -9.741 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.848 0.794 -7.891 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.695 2.311 -7.505 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.089 1.426 -8.998 1.00 0.00 H new ATOM 316 N ALA A 13 -1.024 5.756 -10.751 1.00 0.00 N ATOM 317 CA ALA A 13 -0.006 6.805 -11.079 1.00 0.00 C ATOM 318 C ALA A 13 -0.558 7.717 -12.141 1.00 0.00 C ATOM 319 O ALA A 13 -1.567 7.439 -12.763 1.00 0.00 O ATOM 320 CB ALA A 13 1.280 6.158 -11.605 1.00 0.00 C ATOM 0 H ALA A 13 -1.925 5.873 -11.215 1.00 0.00 H new ATOM 0 HA ALA A 13 0.220 7.368 -10.174 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.009 6.934 -11.838 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.690 5.492 -10.845 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.058 5.587 -12.506 1.00 0.00 H new ATOM 326 N ASP A 14 0.104 8.803 -12.350 1.00 0.00 N ATOM 327 CA ASP A 14 -0.334 9.774 -13.367 1.00 0.00 C ATOM 328 C ASP A 14 -0.155 9.182 -14.776 1.00 0.00 C ATOM 329 O ASP A 14 -0.655 9.722 -15.747 1.00 0.00 O ATOM 330 CB ASP A 14 0.518 11.004 -13.208 1.00 0.00 C ATOM 331 CG ASP A 14 -0.223 12.226 -13.758 1.00 0.00 C ATOM 332 OD1 ASP A 14 -0.792 12.114 -14.831 1.00 0.00 O ATOM 333 OD2 ASP A 14 -0.208 13.251 -13.096 1.00 0.00 O ATOM 0 H ASP A 14 0.951 9.065 -11.846 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.389 10.018 -13.238 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.759 11.157 -12.156 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.463 10.873 -13.735 1.00 0.00 H new ATOM 338 N ASP A 15 0.558 8.073 -14.896 1.00 0.00 N ATOM 339 CA ASP A 15 0.767 7.457 -16.212 1.00 0.00 C ATOM 340 C ASP A 15 0.300 5.998 -16.187 1.00 0.00 C ATOM 341 O ASP A 15 0.752 5.185 -16.975 1.00 0.00 O ATOM 342 CB ASP A 15 2.254 7.514 -16.572 1.00 0.00 C ATOM 343 CG ASP A 15 2.450 7.080 -18.028 1.00 0.00 C ATOM 344 OD1 ASP A 15 1.663 7.497 -18.861 1.00 0.00 O ATOM 345 OD2 ASP A 15 3.387 6.339 -18.284 1.00 0.00 O ATOM 0 H ASP A 15 0.998 7.582 -14.117 1.00 0.00 H new ATOM 0 HA ASP A 15 0.190 8.003 -16.958 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.634 8.526 -16.430 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.824 6.863 -15.909 1.00 0.00 H new ATOM 350 N GLU A 16 -0.612 5.659 -15.300 1.00 0.00 N ATOM 351 CA GLU A 16 -1.111 4.264 -15.243 1.00 0.00 C ATOM 352 C GLU A 16 -2.540 4.245 -15.779 1.00 0.00 C ATOM 353 O GLU A 16 -3.137 5.286 -15.988 1.00 0.00 O ATOM 354 CB GLU A 16 -1.073 3.761 -13.798 1.00 0.00 C ATOM 355 CG GLU A 16 -1.108 2.227 -13.792 1.00 0.00 C ATOM 356 CD GLU A 16 -0.016 1.673 -12.864 1.00 0.00 C ATOM 357 OE1 GLU A 16 1.002 2.332 -12.713 1.00 0.00 O ATOM 358 OE2 GLU A 16 -0.214 0.596 -12.326 1.00 0.00 O ATOM 0 H GLU A 16 -1.025 6.295 -14.618 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.484 3.609 -15.848 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.171 4.117 -13.301 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.922 4.157 -13.241 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.087 1.880 -13.461 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.961 1.849 -14.804 1.00 0.00 H new ATOM 365 N LEU A 17 -3.088 3.080 -16.040 1.00 0.00 N ATOM 366 CA LEU A 17 -4.473 3.027 -16.606 1.00 0.00 C ATOM 367 C LEU A 17 -5.454 2.367 -15.639 1.00 0.00 C ATOM 368 O LEU A 17 -5.105 1.500 -14.864 1.00 0.00 O ATOM 369 CB LEU A 17 -4.437 2.246 -17.922 1.00 0.00 C ATOM 370 CG LEU A 17 -5.813 2.277 -18.599 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.125 3.699 -19.091 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.812 1.306 -19.790 1.00 0.00 C ATOM 0 H LEU A 17 -2.642 2.175 -15.888 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.818 4.047 -16.776 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.688 2.675 -18.587 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.141 1.214 -17.732 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.576 1.977 -17.881 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.104 3.712 -19.570 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.127 4.385 -18.244 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.366 4.011 -19.808 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.788 1.324 -20.275 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.046 1.607 -20.505 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.601 0.297 -19.436 1.00 0.00 H new ATOM 384 N SER A 18 -6.695 2.790 -15.696 1.00 0.00 N ATOM 385 CA SER A 18 -7.738 2.231 -14.815 1.00 0.00 C ATOM 386 C SER A 18 -8.731 1.414 -15.653 1.00 0.00 C ATOM 387 O SER A 18 -8.988 1.731 -16.801 1.00 0.00 O ATOM 388 CB SER A 18 -8.468 3.373 -14.164 1.00 0.00 C ATOM 389 OG SER A 18 -7.564 4.441 -13.907 1.00 0.00 O ATOM 0 H SER A 18 -7.023 3.515 -16.334 1.00 0.00 H new ATOM 0 HA SER A 18 -7.286 1.587 -14.061 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.275 3.716 -14.811 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.926 3.040 -13.232 1.00 0.00 H new ATOM 0 HG SER A 18 -8.003 5.113 -13.345 1.00 0.00 H new ATOM 395 N PHE A 19 -9.299 0.379 -15.086 1.00 0.00 N ATOM 396 CA PHE A 19 -10.290 -0.448 -15.845 1.00 0.00 C ATOM 397 C PHE A 19 -10.908 -1.483 -14.902 1.00 0.00 C ATOM 398 O PHE A 19 -10.401 -1.727 -13.838 1.00 0.00 O ATOM 399 CB PHE A 19 -9.597 -1.145 -17.028 1.00 0.00 C ATOM 400 CG PHE A 19 -8.523 -2.090 -16.539 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.875 -3.355 -16.055 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.178 -1.704 -16.583 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.879 -4.236 -15.613 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.184 -2.583 -16.140 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.533 -3.849 -15.656 1.00 0.00 C ATOM 0 H PHE A 19 -9.120 0.070 -14.131 1.00 0.00 H new ATOM 0 HA PHE A 19 -11.078 0.194 -16.239 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.333 -1.696 -17.614 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.157 -0.398 -17.689 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.913 -3.652 -16.022 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.908 -0.728 -16.959 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.149 -5.213 -15.239 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.147 -2.284 -16.171 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.765 -4.528 -15.316 1.00 0.00 H new ATOM 415 N LYS A 20 -12.009 -2.076 -15.281 1.00 0.00 N ATOM 416 CA LYS A 20 -12.669 -3.078 -14.392 1.00 0.00 C ATOM 417 C LYS A 20 -12.666 -4.445 -15.048 1.00 0.00 C ATOM 418 O LYS A 20 -12.135 -4.633 -16.123 1.00 0.00 O ATOM 419 CB LYS A 20 -14.112 -2.654 -14.148 1.00 0.00 C ATOM 420 CG LYS A 20 -14.132 -1.255 -13.547 1.00 0.00 C ATOM 421 CD LYS A 20 -14.070 -1.350 -12.019 1.00 0.00 C ATOM 422 CE LYS A 20 -15.488 -1.297 -11.443 1.00 0.00 C ATOM 423 NZ LYS A 20 -16.330 -2.344 -12.088 1.00 0.00 N ATOM 0 H LYS A 20 -12.481 -1.910 -16.170 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.123 -3.130 -13.450 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.670 -2.668 -15.084 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.601 -3.358 -13.475 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.287 -0.676 -13.920 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.037 -0.730 -13.852 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -13.580 -2.277 -11.722 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.473 -0.531 -11.618 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.459 -1.453 -10.365 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.923 -0.312 -11.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.242 -2.409 -11.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -16.494 -2.093 -13.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.842 -3.261 -12.038 1.00 0.00 H new ATOM 437 N ARG A 21 -13.268 -5.397 -14.398 1.00 0.00 N ATOM 438 CA ARG A 21 -13.338 -6.767 -14.947 1.00 0.00 C ATOM 439 C ARG A 21 -14.273 -6.777 -16.155 1.00 0.00 C ATOM 440 O ARG A 21 -15.460 -6.534 -16.032 1.00 0.00 O ATOM 441 CB ARG A 21 -13.891 -7.669 -13.870 1.00 0.00 C ATOM 442 CG ARG A 21 -13.751 -9.126 -14.277 1.00 0.00 C ATOM 443 CD ARG A 21 -14.031 -10.001 -13.059 1.00 0.00 C ATOM 444 NE ARG A 21 -15.312 -10.741 -13.265 1.00 0.00 N ATOM 445 CZ ARG A 21 -15.302 -12.035 -13.462 1.00 0.00 C ATOM 446 NH1 ARG A 21 -14.350 -12.586 -14.166 1.00 0.00 N ATOM 447 NH2 ARG A 21 -16.249 -12.776 -12.955 1.00 0.00 N ATOM 0 H ARG A 21 -13.722 -5.277 -13.492 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.351 -7.110 -15.259 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.362 -7.494 -12.933 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.940 -7.433 -13.693 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.448 -9.363 -15.081 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.748 -9.318 -14.658 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.212 -10.704 -12.906 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.094 -9.385 -12.162 1.00 0.00 H new ATOM 0 HE ARG A 21 -16.198 -10.236 -13.252 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.610 -12.008 -14.565 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.346 -13.595 -14.317 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.994 -12.347 -12.407 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.244 -13.785 -13.107 1.00 0.00 H new ATOM 461 N GLY A 22 -13.746 -7.042 -17.321 1.00 0.00 N ATOM 462 CA GLY A 22 -14.600 -7.052 -18.550 1.00 0.00 C ATOM 463 C GLY A 22 -14.307 -5.803 -19.403 1.00 0.00 C ATOM 464 O GLY A 22 -14.816 -5.663 -20.501 1.00 0.00 O ATOM 0 H GLY A 22 -12.760 -7.252 -17.478 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.406 -7.954 -19.131 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.653 -7.074 -18.271 1.00 0.00 H new ATOM 468 N ASP A 23 -13.476 -4.903 -18.910 1.00 0.00 N ATOM 469 CA ASP A 23 -13.135 -3.710 -19.658 1.00 0.00 C ATOM 470 C ASP A 23 -11.880 -4.013 -20.441 1.00 0.00 C ATOM 471 O ASP A 23 -10.803 -4.106 -19.888 1.00 0.00 O ATOM 472 CB ASP A 23 -12.885 -2.548 -18.687 1.00 0.00 C ATOM 473 CG ASP A 23 -13.755 -1.347 -19.073 1.00 0.00 C ATOM 474 OD1 ASP A 23 -14.943 -1.540 -19.274 1.00 0.00 O ATOM 475 OD2 ASP A 23 -13.217 -0.255 -19.161 1.00 0.00 O ATOM 0 H ASP A 23 -13.027 -4.976 -17.997 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.944 -3.425 -20.330 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.112 -2.860 -17.668 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.832 -2.266 -18.707 1.00 0.00 H new ATOM 480 N ILE A 24 -12.015 -4.201 -21.707 1.00 0.00 N ATOM 481 CA ILE A 24 -10.834 -4.533 -22.549 1.00 0.00 C ATOM 482 C ILE A 24 -10.088 -3.247 -22.907 1.00 0.00 C ATOM 483 O ILE A 24 -10.680 -2.254 -23.284 1.00 0.00 O ATOM 484 CB ILE A 24 -11.292 -5.286 -23.807 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.371 -6.339 -23.399 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.072 -5.978 -24.416 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.587 -7.379 -24.502 1.00 0.00 C ATOM 0 H ILE A 24 -12.900 -4.140 -22.210 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.152 -5.181 -21.999 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.726 -4.604 -24.538 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -12.063 -6.840 -22.481 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.312 -5.833 -23.186 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.371 -6.521 -25.313 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.323 -5.231 -24.677 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.651 -6.676 -23.693 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.344 -8.095 -24.183 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.920 -6.880 -25.412 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.651 -7.903 -24.697 1.00 0.00 H new ATOM 499 N LEU A 25 -8.786 -3.261 -22.759 1.00 0.00 N ATOM 500 CA LEU A 25 -7.969 -2.039 -23.051 1.00 0.00 C ATOM 501 C LEU A 25 -7.467 -2.068 -24.491 1.00 0.00 C ATOM 502 O LEU A 25 -7.468 -3.104 -25.142 1.00 0.00 O ATOM 503 CB LEU A 25 -6.741 -1.973 -22.096 1.00 0.00 C ATOM 504 CG LEU A 25 -7.096 -2.351 -20.618 1.00 0.00 C ATOM 505 CD1 LEU A 25 -8.499 -1.859 -20.225 1.00 0.00 C ATOM 506 CD2 LEU A 25 -7.016 -3.874 -20.435 1.00 0.00 C ATOM 0 H LEU A 25 -8.250 -4.071 -22.447 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.602 -1.164 -22.901 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.966 -2.647 -22.462 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.324 -0.966 -22.118 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.372 -1.859 -19.968 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.708 -2.141 -19.193 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.544 -0.774 -20.321 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.241 -2.313 -20.882 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.264 -4.130 -19.405 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.722 -4.359 -21.110 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.006 -4.215 -20.660 1.00 0.00 H new ATOM 518 N LYS A 26 -7.009 -0.934 -24.988 1.00 0.00 N ATOM 519 CA LYS A 26 -6.474 -0.893 -26.397 1.00 0.00 C ATOM 520 C LYS A 26 -4.949 -0.850 -26.323 1.00 0.00 C ATOM 521 O LYS A 26 -4.375 0.170 -26.018 1.00 0.00 O ATOM 522 CB LYS A 26 -6.999 0.359 -27.112 1.00 0.00 C ATOM 523 CG LYS A 26 -7.328 0.018 -28.568 1.00 0.00 C ATOM 524 CD LYS A 26 -8.548 0.823 -29.021 1.00 0.00 C ATOM 525 CE LYS A 26 -9.815 0.212 -28.421 1.00 0.00 C ATOM 526 NZ LYS A 26 -10.979 1.096 -28.715 1.00 0.00 N ATOM 0 H LYS A 26 -6.982 -0.046 -24.486 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.798 -1.772 -26.953 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.889 0.733 -26.606 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.253 1.152 -27.073 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.474 0.243 -29.207 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.527 -1.049 -28.666 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.449 1.862 -28.706 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.612 0.824 -30.109 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.985 -0.781 -28.836 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.699 0.091 -27.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.841 0.682 -28.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.816 2.035 -28.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.093 1.189 -29.745 1.00 0.00 H new ATOM 540 N VAL A 27 -4.282 -1.958 -26.569 1.00 0.00 N ATOM 541 CA VAL A 27 -2.788 -1.965 -26.451 1.00 0.00 C ATOM 542 C VAL A 27 -2.155 -0.877 -27.327 1.00 0.00 C ATOM 543 O VAL A 27 -2.175 -0.931 -28.539 1.00 0.00 O ATOM 544 CB VAL A 27 -2.217 -3.342 -26.824 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.759 -3.423 -26.351 1.00 0.00 C ATOM 546 CG2 VAL A 27 -3.030 -4.450 -26.133 1.00 0.00 C ATOM 0 H VAL A 27 -4.703 -2.846 -26.843 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.540 -1.753 -25.411 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.271 -3.475 -27.905 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.346 -4.397 -26.612 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.175 -2.640 -26.835 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.719 -3.289 -25.270 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.620 -5.424 -26.402 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.977 -4.320 -25.052 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.070 -4.393 -26.455 1.00 0.00 H new ATOM 556 N LEU A 28 -1.575 0.094 -26.688 1.00 0.00 N ATOM 557 CA LEU A 28 -0.895 1.206 -27.394 1.00 0.00 C ATOM 558 C LEU A 28 0.530 0.768 -27.688 1.00 0.00 C ATOM 559 O LEU A 28 1.096 1.092 -28.716 1.00 0.00 O ATOM 560 CB LEU A 28 -0.849 2.432 -26.458 1.00 0.00 C ATOM 561 CG LEU A 28 -2.002 3.412 -26.742 1.00 0.00 C ATOM 562 CD1 LEU A 28 -3.348 2.671 -26.795 1.00 0.00 C ATOM 563 CD2 LEU A 28 -2.037 4.461 -25.613 1.00 0.00 C ATOM 0 H LEU A 28 -1.544 0.164 -25.671 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.422 1.458 -28.314 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.901 2.100 -25.421 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.104 2.947 -26.580 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.839 3.891 -27.707 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.148 3.383 -26.997 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.320 1.923 -27.587 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.531 2.181 -25.839 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.848 5.166 -25.796 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.198 3.962 -24.658 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.089 4.998 -25.586 1.00 0.00 H new ATOM 575 N ASN A 29 1.116 0.036 -26.771 1.00 0.00 N ATOM 576 CA ASN A 29 2.514 -0.429 -26.967 1.00 0.00 C ATOM 577 C ASN A 29 2.690 -1.825 -26.370 1.00 0.00 C ATOM 578 O ASN A 29 2.490 -2.036 -25.182 1.00 0.00 O ATOM 579 CB ASN A 29 3.472 0.542 -26.276 1.00 0.00 C ATOM 580 CG ASN A 29 4.901 0.262 -26.735 1.00 0.00 C ATOM 581 OD1 ASN A 29 5.301 -0.879 -26.851 1.00 0.00 O ATOM 582 ND2 ASN A 29 5.695 1.262 -27.003 1.00 0.00 N ATOM 0 H ASN A 29 0.681 -0.257 -25.896 1.00 0.00 H new ATOM 0 HA ASN A 29 2.732 -0.467 -28.034 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.198 1.570 -26.513 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.399 0.433 -25.194 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.652 1.086 -27.310 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.359 2.220 -26.906 1.00 0.00 H new ATOM 589 N GLU A 30 3.078 -2.776 -27.185 1.00 0.00 N ATOM 590 CA GLU A 30 3.292 -4.164 -26.681 1.00 0.00 C ATOM 591 C GLU A 30 4.787 -4.371 -26.459 1.00 0.00 C ATOM 592 O GLU A 30 5.393 -5.291 -26.977 1.00 0.00 O ATOM 593 CB GLU A 30 2.761 -5.177 -27.695 1.00 0.00 C ATOM 594 CG GLU A 30 3.380 -4.887 -29.047 1.00 0.00 C ATOM 595 CD GLU A 30 3.205 -6.095 -29.968 1.00 0.00 C ATOM 596 OE1 GLU A 30 3.793 -7.124 -29.682 1.00 0.00 O ATOM 597 OE2 GLU A 30 2.483 -5.970 -30.943 1.00 0.00 O ATOM 0 H GLU A 30 3.256 -2.647 -28.181 1.00 0.00 H new ATOM 0 HA GLU A 30 2.756 -4.308 -25.743 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.005 -6.191 -27.378 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.675 -5.115 -27.757 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.911 -4.009 -29.491 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.439 -4.658 -28.930 1.00 0.00 H new ATOM 604 N GLU A 31 5.376 -3.504 -25.692 1.00 0.00 N ATOM 605 CA GLU A 31 6.836 -3.595 -25.407 1.00 0.00 C ATOM 606 C GLU A 31 7.073 -3.261 -23.946 1.00 0.00 C ATOM 607 O GLU A 31 6.151 -3.199 -23.160 1.00 0.00 O ATOM 608 CB GLU A 31 7.588 -2.599 -26.296 1.00 0.00 C ATOM 609 CG GLU A 31 7.281 -2.898 -27.765 1.00 0.00 C ATOM 610 CD GLU A 31 8.351 -2.255 -28.650 1.00 0.00 C ATOM 611 OE1 GLU A 31 9.408 -2.847 -28.792 1.00 0.00 O ATOM 612 OE2 GLU A 31 8.094 -1.182 -29.172 1.00 0.00 O ATOM 0 H GLU A 31 4.902 -2.721 -25.241 1.00 0.00 H new ATOM 0 HA GLU A 31 7.196 -4.603 -25.614 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.291 -1.579 -26.051 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.660 -2.671 -26.115 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.256 -3.975 -27.931 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.296 -2.512 -28.028 1.00 0.00 H new ATOM 619 N CYS A 32 8.309 -3.058 -23.580 1.00 0.00 N ATOM 620 CA CYS A 32 8.655 -2.729 -22.148 1.00 0.00 C ATOM 621 C CYS A 32 8.533 -3.987 -21.305 1.00 0.00 C ATOM 622 O CYS A 32 8.481 -5.085 -21.822 1.00 0.00 O ATOM 623 CB CYS A 32 7.722 -1.621 -21.585 1.00 0.00 C ATOM 624 SG CYS A 32 7.594 -0.256 -22.772 1.00 0.00 S ATOM 0 H CYS A 32 9.109 -3.104 -24.211 1.00 0.00 H new ATOM 0 HA CYS A 32 9.678 -2.355 -22.113 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.733 -2.034 -21.385 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.112 -1.253 -20.636 1.00 0.00 H new ATOM 0 HG CYS A 32 6.810 0.664 -22.293 1.00 0.00 H new ATOM 630 N ASP A 33 8.518 -3.819 -20.001 1.00 0.00 N ATOM 631 CA ASP A 33 8.427 -4.966 -19.030 1.00 0.00 C ATOM 632 C ASP A 33 7.567 -6.095 -19.542 1.00 0.00 C ATOM 633 O ASP A 33 6.664 -5.902 -20.338 1.00 0.00 O ATOM 634 CB ASP A 33 7.826 -4.468 -17.722 1.00 0.00 C ATOM 635 CG ASP A 33 8.315 -5.341 -16.565 1.00 0.00 C ATOM 636 OD1 ASP A 33 9.518 -5.495 -16.434 1.00 0.00 O ATOM 637 OD2 ASP A 33 7.479 -5.840 -15.831 1.00 0.00 O ATOM 0 H ASP A 33 8.567 -2.904 -19.554 1.00 0.00 H new ATOM 0 HA ASP A 33 9.439 -5.347 -18.890 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.110 -3.430 -17.552 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.738 -4.496 -17.777 1.00 0.00 H new ATOM 642 N GLN A 34 7.844 -7.278 -19.078 1.00 0.00 N ATOM 643 CA GLN A 34 7.055 -8.437 -19.516 1.00 0.00 C ATOM 644 C GLN A 34 5.879 -8.670 -18.555 1.00 0.00 C ATOM 645 O GLN A 34 5.258 -9.718 -18.570 1.00 0.00 O ATOM 646 CB GLN A 34 7.944 -9.682 -19.579 1.00 0.00 C ATOM 647 CG GLN A 34 8.542 -9.955 -18.198 1.00 0.00 C ATOM 648 CD GLN A 34 10.065 -10.105 -18.303 1.00 0.00 C ATOM 649 OE1 GLN A 34 10.773 -9.132 -18.470 1.00 0.00 O ATOM 650 NE2 GLN A 34 10.600 -11.292 -18.211 1.00 0.00 N ATOM 0 H GLN A 34 8.588 -7.484 -18.411 1.00 0.00 H new ATOM 0 HA GLN A 34 6.658 -8.239 -20.511 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.361 -10.541 -19.910 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.740 -9.536 -20.309 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.295 -9.139 -17.519 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.108 -10.862 -17.778 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.006 -12.109 -18.071 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.612 -11.402 -18.279 1.00 0.00 H new ATOM 659 N ASN A 35 5.566 -7.698 -17.722 1.00 0.00 N ATOM 660 CA ASN A 35 4.432 -7.865 -16.768 1.00 0.00 C ATOM 661 C ASN A 35 3.405 -6.745 -16.933 1.00 0.00 C ATOM 662 O ASN A 35 2.306 -6.859 -16.457 1.00 0.00 O ATOM 663 CB ASN A 35 4.954 -7.887 -15.334 1.00 0.00 C ATOM 664 CG ASN A 35 5.600 -9.244 -15.049 1.00 0.00 C ATOM 665 OD1 ASN A 35 5.180 -10.254 -15.579 1.00 0.00 O ATOM 666 ND2 ASN A 35 6.610 -9.312 -14.226 1.00 0.00 N ATOM 0 H ASN A 35 6.050 -6.802 -17.667 1.00 0.00 H new ATOM 0 HA ASN A 35 3.940 -8.813 -16.987 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.681 -7.088 -15.188 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.137 -7.707 -14.635 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.047 -10.212 -14.028 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.963 -8.465 -13.781 1.00 0.00 H new ATOM 673 N TRP A 36 3.748 -5.682 -17.618 1.00 0.00 N ATOM 674 CA TRP A 36 2.760 -4.559 -17.850 1.00 0.00 C ATOM 675 C TRP A 36 2.981 -3.986 -19.266 1.00 0.00 C ATOM 676 O TRP A 36 4.097 -3.742 -19.681 1.00 0.00 O ATOM 677 CB TRP A 36 2.928 -3.391 -16.847 1.00 0.00 C ATOM 678 CG TRP A 36 2.953 -3.847 -15.403 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.856 -4.706 -14.865 1.00 0.00 C ATOM 680 CD2 TRP A 36 2.084 -3.427 -14.285 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.589 -4.852 -13.515 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.524 -4.086 -13.108 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.968 -2.555 -14.169 1.00 0.00 C ATOM 684 CZ2 TRP A 36 1.902 -3.889 -11.873 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.347 -2.363 -12.913 1.00 0.00 C ATOM 686 CH2 TRP A 36 0.818 -3.024 -11.776 1.00 0.00 C ATOM 0 H TRP A 36 4.669 -5.535 -18.031 1.00 0.00 H new ATOM 0 HA TRP A 36 1.763 -4.982 -17.722 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.853 -2.859 -17.070 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.111 -2.682 -16.984 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.654 -5.196 -15.403 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.122 -5.459 -12.893 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.594 -2.039 -15.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.262 -4.407 -10.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.500 -1.698 -12.832 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.340 -2.863 -10.821 1.00 0.00 H new ATOM 697 N TYR A 37 1.917 -3.751 -19.993 1.00 0.00 N ATOM 698 CA TYR A 37 2.031 -3.170 -21.375 1.00 0.00 C ATOM 699 C TYR A 37 1.602 -1.687 -21.323 1.00 0.00 C ATOM 700 O TYR A 37 1.523 -1.103 -20.284 1.00 0.00 O ATOM 701 CB TYR A 37 1.046 -3.881 -22.329 1.00 0.00 C ATOM 702 CG TYR A 37 1.185 -5.377 -22.318 1.00 0.00 C ATOM 703 CD1 TYR A 37 2.437 -5.983 -22.451 1.00 0.00 C ATOM 704 CD2 TYR A 37 0.029 -6.159 -22.229 1.00 0.00 C ATOM 705 CE1 TYR A 37 2.532 -7.380 -22.497 1.00 0.00 C ATOM 706 CE2 TYR A 37 0.115 -7.548 -22.265 1.00 0.00 C ATOM 707 CZ TYR A 37 1.371 -8.166 -22.403 1.00 0.00 C ATOM 708 OH TYR A 37 1.467 -9.543 -22.460 1.00 0.00 O ATOM 0 H TYR A 37 0.962 -3.938 -19.688 1.00 0.00 H new ATOM 0 HA TYR A 37 3.058 -3.287 -21.722 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.026 -3.616 -22.051 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.205 -3.515 -23.343 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.328 -5.377 -22.518 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.935 -5.683 -22.132 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.497 -7.853 -22.605 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.779 -8.149 -22.187 1.00 0.00 H new ATOM 0 HH TYR A 37 2.350 -9.795 -22.802 1.00 0.00 H new ATOM 718 N LYS A 38 1.265 -1.117 -22.460 1.00 0.00 N ATOM 719 CA LYS A 38 0.749 0.274 -22.526 1.00 0.00 C ATOM 720 C LYS A 38 -0.617 0.136 -23.205 1.00 0.00 C ATOM 721 O LYS A 38 -0.816 -0.808 -23.947 1.00 0.00 O ATOM 722 CB LYS A 38 1.673 1.130 -23.385 1.00 0.00 C ATOM 723 CG LYS A 38 1.214 2.584 -23.323 1.00 0.00 C ATOM 724 CD LYS A 38 1.682 3.331 -24.581 1.00 0.00 C ATOM 725 CE LYS A 38 2.794 4.321 -24.217 1.00 0.00 C ATOM 726 NZ LYS A 38 3.086 5.197 -25.389 1.00 0.00 N ATOM 0 H LYS A 38 1.332 -1.580 -23.366 1.00 0.00 H new ATOM 0 HA LYS A 38 0.686 0.748 -21.546 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.700 1.045 -23.031 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.661 0.776 -24.416 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.128 2.629 -23.245 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.618 3.065 -22.432 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.045 2.620 -25.323 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.844 3.862 -25.032 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.490 4.927 -23.364 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.693 3.781 -23.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.841 5.868 -25.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.393 4.612 -26.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.228 5.722 -25.652 1.00 0.00 H new ATOM 740 N ALA A 39 -1.567 1.015 -22.962 1.00 0.00 N ATOM 741 CA ALA A 39 -2.911 0.845 -23.628 1.00 0.00 C ATOM 742 C ALA A 39 -3.820 1.968 -23.306 1.00 0.00 C ATOM 743 O ALA A 39 -3.436 2.936 -22.685 1.00 0.00 O ATOM 744 CB ALA A 39 -3.547 -0.477 -23.201 1.00 0.00 C ATOM 0 H ALA A 39 -1.478 1.824 -22.348 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.750 0.838 -24.706 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.516 -0.589 -23.688 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.898 -1.303 -23.491 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.681 -0.483 -22.119 1.00 0.00 H new ATOM 750 N GLU A 40 -5.030 1.882 -23.789 1.00 0.00 N ATOM 751 CA GLU A 40 -5.949 2.994 -23.571 1.00 0.00 C ATOM 752 C GLU A 40 -7.429 2.594 -23.691 1.00 0.00 C ATOM 753 O GLU A 40 -7.852 1.891 -24.583 1.00 0.00 O ATOM 754 CB GLU A 40 -5.546 4.096 -24.570 1.00 0.00 C ATOM 755 CG GLU A 40 -6.574 4.286 -25.705 1.00 0.00 C ATOM 756 CD GLU A 40 -6.139 5.446 -26.602 1.00 0.00 C ATOM 757 OE1 GLU A 40 -4.952 5.553 -26.863 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.999 6.207 -27.011 1.00 0.00 O ATOM 0 H GLU A 40 -5.403 1.093 -24.317 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.866 3.354 -22.545 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.426 5.038 -24.035 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.576 3.849 -25.003 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.657 3.371 -26.291 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.560 4.487 -25.286 1.00 0.00 H new ATOM 765 N LEU A 41 -8.187 3.108 -22.792 1.00 0.00 N ATOM 766 CA LEU A 41 -9.660 2.863 -22.770 1.00 0.00 C ATOM 767 C LEU A 41 -10.423 4.049 -23.253 1.00 0.00 C ATOM 768 O LEU A 41 -10.739 4.962 -22.521 1.00 0.00 O ATOM 769 CB LEU A 41 -10.133 2.517 -21.375 1.00 0.00 C ATOM 770 CG LEU A 41 -10.069 1.033 -21.214 1.00 0.00 C ATOM 771 CD1 LEU A 41 -10.002 0.692 -19.725 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.324 0.432 -21.841 1.00 0.00 C ATOM 0 H LEU A 41 -7.850 3.710 -22.040 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.846 2.023 -23.440 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.507 3.007 -20.629 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.152 2.872 -21.220 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.184 0.627 -21.704 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.955 -0.390 -19.601 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.113 1.146 -19.287 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.890 1.076 -19.223 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.300 -0.653 -21.736 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.207 0.826 -21.337 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.363 0.693 -22.899 1.00 0.00 H new ATOM 784 N ASN A 42 -10.779 3.981 -24.477 1.00 0.00 N ATOM 785 CA ASN A 42 -11.612 5.039 -25.121 1.00 0.00 C ATOM 786 C ASN A 42 -11.241 6.491 -24.705 1.00 0.00 C ATOM 787 O ASN A 42 -12.070 7.383 -24.793 1.00 0.00 O ATOM 788 CB ASN A 42 -13.049 4.795 -24.719 1.00 0.00 C ATOM 789 CG ASN A 42 -13.727 3.871 -25.733 1.00 0.00 C ATOM 790 OD1 ASN A 42 -13.385 2.711 -25.840 1.00 0.00 O ATOM 791 ND2 ASN A 42 -14.684 4.341 -26.485 1.00 0.00 N ATOM 0 H ASN A 42 -10.526 3.212 -25.098 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.441 4.968 -26.195 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.086 4.348 -23.726 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.585 5.742 -24.663 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.145 3.734 -27.163 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.971 5.316 -26.395 1.00 0.00 H new ATOM 798 N GLY A 43 -10.048 6.736 -24.260 1.00 0.00 N ATOM 799 CA GLY A 43 -9.675 8.131 -23.847 1.00 0.00 C ATOM 800 C GLY A 43 -8.571 8.085 -22.796 1.00 0.00 C ATOM 801 O GLY A 43 -7.617 8.843 -22.860 1.00 0.00 O ATOM 0 H GLY A 43 -9.309 6.040 -24.160 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.339 8.699 -24.715 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.548 8.647 -23.447 1.00 0.00 H new ATOM 805 N LYS A 44 -8.671 7.187 -21.841 1.00 0.00 N ATOM 806 CA LYS A 44 -7.633 7.071 -20.830 1.00 0.00 C ATOM 807 C LYS A 44 -6.562 6.209 -21.386 1.00 0.00 C ATOM 808 O LYS A 44 -6.735 5.580 -22.408 1.00 0.00 O ATOM 809 CB LYS A 44 -8.171 6.447 -19.562 1.00 0.00 C ATOM 810 CG LYS A 44 -8.681 7.549 -18.650 1.00 0.00 C ATOM 811 CD LYS A 44 -9.611 6.958 -17.587 1.00 0.00 C ATOM 812 CE LYS A 44 -8.820 6.000 -16.699 1.00 0.00 C ATOM 813 NZ LYS A 44 -8.140 6.768 -15.619 1.00 0.00 N ATOM 0 H LYS A 44 -9.447 6.533 -21.740 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.256 8.062 -20.579 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.975 5.750 -19.797 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.389 5.875 -19.062 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.842 8.054 -18.171 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.213 8.299 -19.235 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.046 7.755 -16.984 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.438 6.431 -18.063 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.487 5.255 -16.265 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.084 5.460 -17.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.758 6.108 -14.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.363 7.326 -16.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.823 7.406 -15.164 1.00 0.00 H new ATOM 827 N ASP A 45 -5.455 6.185 -20.746 1.00 0.00 N ATOM 828 CA ASP A 45 -4.347 5.377 -21.241 1.00 0.00 C ATOM 829 C ASP A 45 -3.245 5.194 -20.179 1.00 0.00 C ATOM 830 O ASP A 45 -3.338 5.670 -19.064 1.00 0.00 O ATOM 831 CB ASP A 45 -3.818 6.074 -22.514 1.00 0.00 C ATOM 832 CG ASP A 45 -2.576 6.960 -22.246 1.00 0.00 C ATOM 833 OD1 ASP A 45 -2.752 8.049 -21.724 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.483 6.527 -22.570 1.00 0.00 O ATOM 0 H ASP A 45 -5.268 6.700 -19.886 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.686 4.367 -21.474 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.565 5.318 -23.257 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.610 6.688 -22.941 1.00 0.00 H new ATOM 839 N GLY A 46 -2.185 4.530 -20.567 1.00 0.00 N ATOM 840 CA GLY A 46 -1.034 4.321 -19.653 1.00 0.00 C ATOM 841 C GLY A 46 -0.714 2.838 -19.488 1.00 0.00 C ATOM 842 O GLY A 46 -1.255 1.990 -20.166 1.00 0.00 O ATOM 0 H GLY A 46 -2.072 4.120 -21.494 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.159 4.842 -20.042 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.257 4.757 -18.679 1.00 0.00 H new ATOM 846 N PHE A 47 0.201 2.534 -18.600 1.00 0.00 N ATOM 847 CA PHE A 47 0.619 1.118 -18.391 1.00 0.00 C ATOM 848 C PHE A 47 -0.512 0.287 -17.782 1.00 0.00 C ATOM 849 O PHE A 47 -1.321 0.782 -17.017 1.00 0.00 O ATOM 850 CB PHE A 47 1.830 1.081 -17.458 1.00 0.00 C ATOM 851 CG PHE A 47 3.101 1.162 -18.271 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.378 2.308 -19.026 1.00 0.00 C ATOM 853 CD2 PHE A 47 4.003 0.091 -18.268 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.557 2.382 -19.779 1.00 0.00 C ATOM 855 CE2 PHE A 47 5.181 0.166 -19.018 1.00 0.00 C ATOM 856 CZ PHE A 47 5.459 1.311 -19.774 1.00 0.00 C ATOM 0 H PHE A 47 0.678 3.214 -18.008 1.00 0.00 H new ATOM 0 HA PHE A 47 0.873 0.691 -19.361 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.784 1.911 -16.753 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.821 0.163 -16.870 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.683 3.135 -19.028 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.789 -0.793 -17.686 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.770 3.265 -20.363 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.877 -0.660 -19.014 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.369 1.368 -20.353 1.00 0.00 H new ATOM 866 N ILE A 48 -0.562 -0.989 -18.112 1.00 0.00 N ATOM 867 CA ILE A 48 -1.613 -1.873 -17.560 1.00 0.00 C ATOM 868 C ILE A 48 -0.954 -3.213 -17.166 1.00 0.00 C ATOM 869 O ILE A 48 -0.330 -3.828 -17.993 1.00 0.00 O ATOM 870 CB ILE A 48 -2.692 -2.138 -18.630 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.025 -2.467 -19.985 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.570 -0.901 -18.785 1.00 0.00 C ATOM 873 CD1 ILE A 48 -2.740 -3.650 -20.641 1.00 0.00 C ATOM 0 H ILE A 48 0.093 -1.446 -18.747 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.079 -1.402 -16.695 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.303 -2.985 -18.317 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.065 -1.597 -20.641 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.972 -2.705 -19.834 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.332 -1.088 -19.541 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.051 -0.674 -17.833 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.955 -0.055 -19.092 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.266 -3.878 -21.596 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.677 -4.521 -19.988 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.787 -3.396 -20.807 1.00 0.00 H new ATOM 885 N PRO A 49 -1.115 -3.657 -15.926 1.00 0.00 N ATOM 886 CA PRO A 49 -0.527 -4.926 -15.506 1.00 0.00 C ATOM 887 C PRO A 49 -1.150 -6.071 -16.282 1.00 0.00 C ATOM 888 O PRO A 49 -2.287 -6.400 -16.109 1.00 0.00 O ATOM 889 CB PRO A 49 -0.813 -5.013 -14.003 1.00 0.00 C ATOM 890 CG PRO A 49 -1.978 -4.024 -13.741 1.00 0.00 C ATOM 891 CD PRO A 49 -1.897 -2.978 -14.884 1.00 0.00 C ATOM 0 HA PRO A 49 0.544 -4.988 -15.701 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.088 -6.028 -13.715 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.068 -4.744 -13.420 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.939 -4.539 -13.747 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.877 -3.548 -12.765 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.888 -2.701 -15.244 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.411 -2.060 -14.553 1.00 0.00 H new ATOM 899 N LYS A 50 -0.390 -6.638 -17.166 1.00 0.00 N ATOM 900 CA LYS A 50 -0.859 -7.757 -18.020 1.00 0.00 C ATOM 901 C LYS A 50 -1.480 -8.908 -17.175 1.00 0.00 C ATOM 902 O LYS A 50 -2.214 -9.718 -17.699 1.00 0.00 O ATOM 903 CB LYS A 50 0.356 -8.271 -18.808 1.00 0.00 C ATOM 904 CG LYS A 50 0.022 -9.571 -19.553 1.00 0.00 C ATOM 905 CD LYS A 50 0.663 -10.745 -18.810 1.00 0.00 C ATOM 906 CE LYS A 50 0.967 -11.873 -19.800 1.00 0.00 C ATOM 907 NZ LYS A 50 2.314 -11.659 -20.402 1.00 0.00 N ATOM 0 H LYS A 50 0.576 -6.361 -17.339 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.643 -7.403 -18.690 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.678 -7.512 -19.521 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.189 -8.443 -18.127 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.058 -9.706 -19.611 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.393 -9.525 -20.577 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.581 -10.421 -18.319 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.007 -11.104 -18.029 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.934 -12.836 -19.291 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.208 -11.899 -20.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.650 -12.548 -20.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.253 -10.927 -21.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.980 -11.353 -19.664 1.00 0.00 H new ATOM 921 N ASN A 51 -1.180 -8.996 -15.898 1.00 0.00 N ATOM 922 CA ASN A 51 -1.743 -10.072 -15.066 1.00 0.00 C ATOM 923 C ASN A 51 -3.268 -9.947 -15.008 1.00 0.00 C ATOM 924 O ASN A 51 -3.986 -10.924 -14.912 1.00 0.00 O ATOM 925 CB ASN A 51 -1.151 -9.957 -13.700 1.00 0.00 C ATOM 926 CG ASN A 51 0.132 -10.788 -13.611 1.00 0.00 C ATOM 927 OD1 ASN A 51 0.094 -11.998 -13.720 1.00 0.00 O ATOM 928 ND2 ASN A 51 1.273 -10.186 -13.415 1.00 0.00 N ATOM 0 H ASN A 51 -0.560 -8.353 -15.405 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.505 -11.047 -15.491 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.933 -8.913 -13.476 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.868 -10.300 -12.954 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.133 -10.731 -13.353 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.305 -9.171 -13.324 1.00 0.00 H new ATOM 935 N TYR A 52 -3.754 -8.747 -15.103 1.00 0.00 N ATOM 936 CA TYR A 52 -5.216 -8.493 -15.100 1.00 0.00 C ATOM 937 C TYR A 52 -5.668 -8.333 -16.531 1.00 0.00 C ATOM 938 O TYR A 52 -6.607 -7.606 -16.813 1.00 0.00 O ATOM 939 CB TYR A 52 -5.481 -7.179 -14.355 1.00 0.00 C ATOM 940 CG TYR A 52 -5.452 -7.390 -12.909 1.00 0.00 C ATOM 941 CD1 TYR A 52 -4.295 -7.835 -12.286 1.00 0.00 C ATOM 942 CD2 TYR A 52 -6.588 -7.129 -12.181 1.00 0.00 C ATOM 943 CE1 TYR A 52 -4.289 -8.026 -10.927 1.00 0.00 C ATOM 944 CE2 TYR A 52 -6.593 -7.319 -10.827 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.446 -7.772 -10.184 1.00 0.00 C ATOM 946 OH TYR A 52 -5.455 -7.975 -8.832 1.00 0.00 O ATOM 0 H TYR A 52 -3.182 -7.907 -15.185 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.748 -9.314 -14.619 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.731 -6.439 -14.635 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -6.451 -6.777 -14.650 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.405 -8.030 -12.866 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.478 -6.773 -12.679 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.393 -8.372 -10.433 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.488 -7.117 -10.257 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.164 -8.890 -8.637 1.00 0.00 H new ATOM 956 N ILE A 53 -4.996 -8.980 -17.447 1.00 0.00 N ATOM 957 CA ILE A 53 -5.363 -8.831 -18.858 1.00 0.00 C ATOM 958 C ILE A 53 -5.084 -10.117 -19.637 1.00 0.00 C ATOM 959 O ILE A 53 -4.309 -10.962 -19.233 1.00 0.00 O ATOM 960 CB ILE A 53 -4.532 -7.709 -19.546 1.00 0.00 C ATOM 961 CG1 ILE A 53 -3.833 -6.772 -18.529 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.413 -6.895 -20.491 1.00 0.00 C ATOM 963 CD1 ILE A 53 -4.811 -5.843 -17.859 1.00 0.00 C ATOM 0 H ILE A 53 -4.209 -9.603 -17.264 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.425 -8.587 -18.870 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.747 -8.205 -20.117 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.325 -7.371 -17.773 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.068 -6.187 -19.040 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.816 -6.115 -20.964 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.826 -7.550 -21.258 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.226 -6.438 -19.927 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.280 -5.203 -17.154 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.300 -5.225 -18.612 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.561 -6.427 -17.326 1.00 0.00 H new ATOM 975 N GLU A 54 -5.651 -10.194 -20.802 1.00 0.00 N ATOM 976 CA GLU A 54 -5.402 -11.307 -21.708 1.00 0.00 C ATOM 977 C GLU A 54 -5.310 -10.698 -23.102 1.00 0.00 C ATOM 978 O GLU A 54 -5.786 -9.599 -23.331 1.00 0.00 O ATOM 979 CB GLU A 54 -6.505 -12.343 -21.637 1.00 0.00 C ATOM 980 CG GLU A 54 -5.959 -13.650 -21.047 1.00 0.00 C ATOM 981 CD GLU A 54 -5.447 -14.547 -22.176 1.00 0.00 C ATOM 982 OE1 GLU A 54 -4.406 -14.234 -22.730 1.00 0.00 O ATOM 983 OE2 GLU A 54 -6.102 -15.535 -22.465 1.00 0.00 O ATOM 0 H GLU A 54 -6.300 -9.496 -21.164 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.485 -11.832 -21.439 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.325 -11.972 -21.023 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.909 -12.525 -22.633 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.153 -13.435 -20.345 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.741 -14.163 -20.487 1.00 0.00 H new ATOM 990 N MET A 55 -4.670 -11.368 -24.008 1.00 0.00 N ATOM 991 CA MET A 55 -4.473 -10.784 -25.384 1.00 0.00 C ATOM 992 C MET A 55 -5.601 -11.128 -26.354 1.00 0.00 C ATOM 993 O MET A 55 -5.711 -12.246 -26.824 1.00 0.00 O ATOM 994 CB MET A 55 -3.154 -11.307 -25.957 1.00 0.00 C ATOM 995 CG MET A 55 -2.558 -10.261 -26.900 1.00 0.00 C ATOM 996 SD MET A 55 -1.062 -10.924 -27.673 1.00 0.00 S ATOM 997 CE MET A 55 -0.123 -9.378 -27.720 1.00 0.00 C ATOM 0 H MET A 55 -4.269 -12.296 -23.870 1.00 0.00 H new ATOM 0 HA MET A 55 -4.465 -9.700 -25.274 1.00 0.00 H new ATOM 0 HB2 MET A 55 -2.455 -11.524 -25.149 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.323 -12.241 -26.493 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.285 -9.990 -27.665 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.322 -9.351 -26.348 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.854 -9.559 -28.168 1.00 0.00 H new ATOM 0 HE2 MET A 55 -0.664 -8.642 -28.314 1.00 0.00 H new ATOM 0 HE3 MET A 55 0.008 -9.001 -26.706 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.419 -10.149 -26.693 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.494 -10.374 -27.648 1.00 0.00 C ATOM 1009 C LYS A 56 -7.122 -9.812 -29.028 1.00 0.00 C ATOM 1010 O LYS A 56 -6.421 -8.803 -29.127 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.744 -9.716 -27.153 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.524 -10.708 -26.308 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.753 -10.022 -25.697 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.636 -9.457 -26.812 1.00 0.00 C ATOM 1015 NZ LYS A 56 -12.047 -10.558 -27.730 1.00 0.00 N ATOM 0 H LYS A 56 -6.363 -9.199 -26.327 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.657 -11.447 -27.747 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.497 -8.833 -26.564 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.350 -9.379 -27.994 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.836 -11.554 -26.920 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.887 -11.105 -25.517 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.319 -10.735 -25.098 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.439 -9.221 -25.027 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.517 -8.978 -26.385 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.094 -8.691 -27.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.858 -10.248 -28.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.254 -10.802 -28.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.317 -11.393 -27.172 1.00 0.00 H new ATOM 1029 N PRO A 57 -7.598 -10.496 -30.076 1.00 0.00 N ATOM 1030 CA PRO A 57 -7.310 -10.113 -31.440 1.00 0.00 C ATOM 1031 C PRO A 57 -8.121 -8.891 -31.879 1.00 0.00 C ATOM 1032 O PRO A 57 -8.727 -8.207 -31.075 1.00 0.00 O ATOM 1033 CB PRO A 57 -7.690 -11.333 -32.264 1.00 0.00 C ATOM 1034 CG PRO A 57 -8.687 -12.124 -31.408 1.00 0.00 C ATOM 1035 CD PRO A 57 -8.465 -11.690 -29.968 1.00 0.00 C ATOM 0 HA PRO A 57 -6.266 -9.826 -31.562 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.137 -11.039 -33.214 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.812 -11.935 -32.498 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -9.712 -11.921 -31.720 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.527 -13.196 -31.518 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -9.407 -11.454 -29.474 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.987 -12.477 -29.384 1.00 0.00 H new ATOM 1043 N HIS A 58 -8.135 -8.623 -33.163 1.00 0.00 N ATOM 1044 CA HIS A 58 -8.900 -7.458 -33.693 1.00 0.00 C ATOM 1045 C HIS A 58 -9.588 -7.875 -35.017 1.00 0.00 C ATOM 1046 O HIS A 58 -9.400 -8.988 -35.470 1.00 0.00 O ATOM 1047 CB HIS A 58 -7.928 -6.289 -33.954 1.00 0.00 C ATOM 1048 CG HIS A 58 -8.287 -5.115 -33.080 1.00 0.00 C ATOM 1049 ND1 HIS A 58 -8.249 -3.810 -33.544 1.00 0.00 N ATOM 1050 CD2 HIS A 58 -8.692 -5.036 -31.771 1.00 0.00 C ATOM 1051 CE1 HIS A 58 -8.621 -3.008 -32.530 1.00 0.00 C ATOM 1052 NE2 HIS A 58 -8.902 -3.705 -31.426 1.00 0.00 N ATOM 0 H HIS A 58 -7.643 -9.169 -33.870 1.00 0.00 H new ATOM 0 HA HIS A 58 -9.654 -7.142 -32.972 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.904 -6.604 -33.751 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -7.970 -5.998 -35.004 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -8.827 -5.879 -31.110 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -8.685 -1.932 -32.600 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.206 -3.340 -30.523 1.00 0.00 H new ATOM 1060 N PRO A 59 -10.374 -6.975 -35.609 1.00 0.00 N ATOM 1061 CA PRO A 59 -11.073 -7.271 -36.867 1.00 0.00 C ATOM 1062 C PRO A 59 -10.112 -7.152 -38.056 1.00 0.00 C ATOM 1063 O PRO A 59 -9.639 -6.077 -38.378 1.00 0.00 O ATOM 1064 CB PRO A 59 -12.168 -6.201 -36.939 1.00 0.00 C ATOM 1065 CG PRO A 59 -11.691 -5.026 -36.037 1.00 0.00 C ATOM 1066 CD PRO A 59 -10.626 -5.611 -35.085 1.00 0.00 C ATOM 0 HA PRO A 59 -11.475 -8.284 -36.902 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.318 -5.867 -37.966 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -13.122 -6.597 -36.590 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.272 -4.220 -36.639 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.525 -4.605 -35.475 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -9.717 -5.010 -35.088 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.985 -5.640 -34.056 1.00 0.00 H new ATOM 1074 N GLU A 60 -9.820 -8.252 -38.709 1.00 0.00 N ATOM 1075 CA GLU A 60 -8.882 -8.210 -39.884 1.00 0.00 C ATOM 1076 C GLU A 60 -9.635 -8.625 -41.156 1.00 0.00 C ATOM 1077 O GLU A 60 -9.968 -7.796 -41.984 1.00 0.00 O ATOM 1078 CB GLU A 60 -7.659 -9.155 -39.673 1.00 0.00 C ATOM 1079 CG GLU A 60 -7.938 -10.213 -38.585 1.00 0.00 C ATOM 1080 CD GLU A 60 -6.762 -11.189 -38.510 1.00 0.00 C ATOM 1081 OE1 GLU A 60 -5.757 -10.831 -37.918 1.00 0.00 O ATOM 1082 OE2 GLU A 60 -6.887 -12.279 -39.044 1.00 0.00 O ATOM 0 H GLU A 60 -10.188 -9.176 -38.482 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.510 -7.190 -39.983 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.417 -9.653 -40.612 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.787 -8.565 -39.392 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.084 -9.728 -37.620 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.858 -10.752 -38.814 1.00 0.00 H new ATOM 1089 N PHE A 61 -9.901 -9.901 -41.321 1.00 0.00 N ATOM 1090 CA PHE A 61 -10.627 -10.368 -42.543 1.00 0.00 C ATOM 1091 C PHE A 61 -12.037 -9.765 -42.567 1.00 0.00 C ATOM 1092 O PHE A 61 -12.483 -9.168 -41.604 1.00 0.00 O ATOM 1093 CB PHE A 61 -10.725 -11.898 -42.529 1.00 0.00 C ATOM 1094 CG PHE A 61 -10.586 -12.428 -43.939 1.00 0.00 C ATOM 1095 CD1 PHE A 61 -9.397 -12.224 -44.649 1.00 0.00 C ATOM 1096 CD2 PHE A 61 -11.645 -13.123 -44.533 1.00 0.00 C ATOM 1097 CE1 PHE A 61 -9.268 -12.714 -45.955 1.00 0.00 C ATOM 1098 CE2 PHE A 61 -11.517 -13.614 -45.837 1.00 0.00 C ATOM 1099 CZ PHE A 61 -10.328 -13.410 -46.548 1.00 0.00 C ATOM 0 H PHE A 61 -9.646 -10.637 -40.662 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.081 -10.047 -43.431 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.945 -12.317 -41.894 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.681 -12.207 -42.106 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.579 -11.689 -44.190 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -12.562 -13.281 -43.985 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -8.352 -12.555 -46.504 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -12.335 -14.150 -46.295 1.00 0.00 H new ATOM 0 HZ PHE A 61 -10.229 -13.790 -47.554 1.00 0.00 H new ATOM 1109 N ILE A 62 -12.740 -9.920 -43.666 1.00 0.00 N ATOM 1110 CA ILE A 62 -14.123 -9.360 -43.763 1.00 0.00 C ATOM 1111 C ILE A 62 -15.122 -10.368 -43.196 1.00 0.00 C ATOM 1112 O ILE A 62 -14.937 -11.567 -43.303 1.00 0.00 O ATOM 1113 CB ILE A 62 -14.466 -9.077 -45.228 1.00 0.00 C ATOM 1114 CG1 ILE A 62 -14.240 -10.344 -46.061 1.00 0.00 C ATOM 1115 CG2 ILE A 62 -13.574 -7.955 -45.757 1.00 0.00 C ATOM 1116 CD1 ILE A 62 -15.077 -10.270 -47.341 1.00 0.00 C ATOM 0 H ILE A 62 -12.414 -10.411 -44.499 1.00 0.00 H new ATOM 0 HA ILE A 62 -14.175 -8.432 -43.194 1.00 0.00 H new ATOM 0 HB ILE A 62 -15.511 -8.774 -45.302 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -13.184 -10.445 -46.310 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -14.517 -11.226 -45.483 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.820 -7.756 -46.800 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -13.736 -7.053 -45.167 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.529 -8.255 -45.682 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -14.916 -11.171 -47.933 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -16.133 -10.190 -47.081 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -14.779 -9.397 -47.921 1.00 0.00 H new ATOM 1128 N VAL A 63 -16.184 -9.889 -42.595 1.00 0.00 N ATOM 1129 CA VAL A 63 -17.205 -10.813 -42.018 1.00 0.00 C ATOM 1130 C VAL A 63 -18.597 -10.208 -42.202 1.00 0.00 C ATOM 1131 O VAL A 63 -19.049 -9.415 -41.400 1.00 0.00 O ATOM 1132 CB VAL A 63 -16.931 -11.016 -40.528 1.00 0.00 C ATOM 1133 CG1 VAL A 63 -17.870 -12.091 -39.978 1.00 0.00 C ATOM 1134 CG2 VAL A 63 -15.478 -11.459 -40.331 1.00 0.00 C ATOM 0 H VAL A 63 -16.386 -8.896 -42.480 1.00 0.00 H new ATOM 0 HA VAL A 63 -17.153 -11.775 -42.528 1.00 0.00 H new ATOM 0 HB VAL A 63 -17.101 -10.079 -39.997 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -17.675 -12.236 -38.915 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.904 -11.776 -40.117 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -17.701 -13.028 -40.509 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.283 -11.604 -39.268 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -15.308 -12.396 -40.862 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -14.808 -10.693 -40.722 1.00 0.00 H new ATOM 1144 N THR A 64 -19.281 -10.576 -43.264 1.00 0.00 N ATOM 1145 CA THR A 64 -20.661 -10.030 -43.526 1.00 0.00 C ATOM 1146 C THR A 64 -20.658 -8.494 -43.425 1.00 0.00 C ATOM 1147 O THR A 64 -20.958 -7.928 -42.389 1.00 0.00 O ATOM 1148 CB THR A 64 -21.657 -10.619 -42.509 1.00 0.00 C ATOM 1149 OG1 THR A 64 -21.416 -10.067 -41.222 1.00 0.00 O ATOM 1150 CG2 THR A 64 -21.495 -12.141 -42.450 1.00 0.00 C ATOM 0 H THR A 64 -18.943 -11.235 -43.966 1.00 0.00 H new ATOM 0 HA THR A 64 -20.965 -10.314 -44.534 1.00 0.00 H new ATOM 0 HB THR A 64 -22.672 -10.374 -42.822 1.00 0.00 H new ATOM 0 HG1 THR A 64 -20.794 -9.314 -41.300 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.201 -12.554 -41.730 1.00 0.00 H new ATOM 0 HG22 THR A 64 -21.690 -12.566 -43.434 1.00 0.00 H new ATOM 0 HG23 THR A 64 -20.478 -12.387 -42.144 1.00 0.00 H new ATOM 1158 N ASP A 65 -20.318 -7.822 -44.500 1.00 0.00 N ATOM 1159 CA ASP A 65 -20.291 -6.327 -44.478 1.00 0.00 C ATOM 1160 C ASP A 65 -21.710 -5.789 -44.692 1.00 0.00 C ATOM 1161 O ASP A 65 -22.343 -6.204 -45.649 1.00 0.00 O ATOM 1162 CB ASP A 65 -19.364 -5.818 -45.602 1.00 0.00 C ATOM 1163 CG ASP A 65 -18.224 -4.989 -44.999 1.00 0.00 C ATOM 1164 OD1 ASP A 65 -17.438 -5.550 -44.254 1.00 0.00 O ATOM 1165 OD2 ASP A 65 -18.159 -3.807 -45.294 1.00 0.00 O ATOM 1166 OXT ASP A 65 -22.139 -4.971 -43.894 1.00 0.00 O ATOM 0 H ASP A 65 -20.058 -8.246 -45.391 1.00 0.00 H new ATOM 0 HA ASP A 65 -19.917 -5.979 -43.515 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -18.957 -6.661 -46.160 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -19.932 -5.213 -46.308 1.00 0.00 H new TER 1171 ASP A 65 ATOM 1172 N SER B 1 -15.834 -11.826 -8.202 1.00 0.00 N ATOM 1173 CA SER B 1 -14.804 -10.811 -7.846 1.00 0.00 C ATOM 1174 C SER B 1 -14.053 -11.259 -6.570 1.00 0.00 C ATOM 1175 O SER B 1 -14.452 -10.906 -5.479 1.00 0.00 O ATOM 1176 CB SER B 1 -15.483 -9.465 -7.587 1.00 0.00 C ATOM 1177 OG SER B 1 -14.628 -8.416 -8.026 1.00 0.00 O ATOM 0 H1 SER B 1 -16.338 -11.523 -9.060 1.00 0.00 H new ATOM 0 H2 SER B 1 -15.373 -12.742 -8.376 1.00 0.00 H new ATOM 0 H3 SER B 1 -16.511 -11.923 -7.419 1.00 0.00 H new ATOM 0 HA SER B 1 -14.096 -10.712 -8.669 1.00 0.00 H new ATOM 0 HB2 SER B 1 -16.436 -9.418 -8.114 1.00 0.00 H new ATOM 0 HB3 SER B 1 -15.700 -9.352 -6.525 1.00 0.00 H new ATOM 0 HG SER B 1 -15.060 -7.552 -7.863 1.00 0.00 H new ATOM 1185 N PRO B 2 -12.976 -12.026 -6.737 1.00 0.00 N ATOM 1186 CA PRO B 2 -12.186 -12.502 -5.595 1.00 0.00 C ATOM 1187 C PRO B 2 -11.309 -11.371 -5.045 1.00 0.00 C ATOM 1188 O PRO B 2 -10.964 -10.441 -5.748 1.00 0.00 O ATOM 1189 CB PRO B 2 -11.332 -13.631 -6.178 1.00 0.00 C ATOM 1190 CG PRO B 2 -11.257 -13.375 -7.707 1.00 0.00 C ATOM 1191 CD PRO B 2 -12.461 -12.474 -8.054 1.00 0.00 C ATOM 0 HA PRO B 2 -12.802 -12.840 -4.762 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -10.336 -13.634 -5.735 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -11.777 -14.604 -5.968 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -10.318 -12.890 -7.975 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -11.300 -14.313 -8.261 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -12.160 -11.628 -8.672 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -13.220 -13.022 -8.612 1.00 0.00 H new ATOM 1199 N LEU B 3 -10.968 -11.440 -3.782 1.00 0.00 N ATOM 1200 CA LEU B 3 -10.130 -10.366 -3.158 1.00 0.00 C ATOM 1201 C LEU B 3 -8.758 -10.271 -3.856 1.00 0.00 C ATOM 1202 O LEU B 3 -8.059 -11.254 -4.012 1.00 0.00 O ATOM 1203 CB LEU B 3 -9.960 -10.655 -1.638 1.00 0.00 C ATOM 1204 CG LEU B 3 -8.887 -11.739 -1.374 1.00 0.00 C ATOM 1205 CD1 LEU B 3 -8.749 -11.961 0.132 1.00 0.00 C ATOM 1206 CD2 LEU B 3 -9.297 -13.054 -2.043 1.00 0.00 C ATOM 0 H LEU B 3 -11.235 -12.197 -3.152 1.00 0.00 H new ATOM 0 HA LEU B 3 -10.632 -9.406 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -9.682 -9.736 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -10.914 -10.979 -1.221 1.00 0.00 H new ATOM 0 HG LEU B 3 -7.935 -11.407 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -7.994 -12.724 0.320 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -8.450 -11.029 0.611 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -9.705 -12.289 0.541 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -8.537 -13.812 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -10.252 -13.387 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -9.395 -12.900 -3.118 1.00 0.00 H new ATOM 1218 N LEU B 4 -8.372 -9.084 -4.259 1.00 0.00 N ATOM 1219 CA LEU B 4 -7.048 -8.904 -4.929 1.00 0.00 C ATOM 1220 C LEU B 4 -6.350 -7.644 -4.336 1.00 0.00 C ATOM 1221 O LEU B 4 -6.225 -6.647 -5.010 1.00 0.00 O ATOM 1222 CB LEU B 4 -7.251 -8.711 -6.442 1.00 0.00 C ATOM 1223 CG LEU B 4 -8.061 -9.876 -7.028 1.00 0.00 C ATOM 1224 CD1 LEU B 4 -8.714 -9.438 -8.348 1.00 0.00 C ATOM 1225 CD2 LEU B 4 -7.130 -11.060 -7.293 1.00 0.00 C ATOM 0 H LEU B 4 -8.920 -8.230 -4.152 1.00 0.00 H new ATOM 0 HA LEU B 4 -6.430 -9.786 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -7.769 -7.770 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -6.283 -8.646 -6.940 1.00 0.00 H new ATOM 0 HG LEU B 4 -8.836 -10.170 -6.320 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -9.288 -10.267 -8.762 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -9.377 -8.593 -8.163 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -7.940 -9.143 -9.057 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -7.704 -11.888 -7.709 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -6.356 -10.763 -8.001 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -6.666 -11.374 -6.358 1.00 0.00 H new ATOM 1237 N PRO B 5 -5.937 -7.715 -3.070 1.00 0.00 N ATOM 1238 CA PRO B 5 -5.287 -6.574 -2.397 1.00 0.00 C ATOM 1239 C PRO B 5 -3.772 -6.496 -2.699 1.00 0.00 C ATOM 1240 O PRO B 5 -3.091 -7.493 -2.788 1.00 0.00 O ATOM 1241 CB PRO B 5 -5.511 -6.867 -0.910 1.00 0.00 C ATOM 1242 CG PRO B 5 -5.742 -8.404 -0.793 1.00 0.00 C ATOM 1243 CD PRO B 5 -6.096 -8.908 -2.209 1.00 0.00 C ATOM 0 HA PRO B 5 -5.697 -5.620 -2.730 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -4.649 -6.558 -0.319 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -6.371 -6.315 -0.531 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -4.848 -8.902 -0.417 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -6.548 -8.622 -0.092 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -5.434 -9.715 -2.521 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -7.114 -9.296 -2.251 1.00 0.00 H new ATOM 1251 N LYS B 6 -3.250 -5.285 -2.815 1.00 0.00 N ATOM 1252 CA LYS B 6 -1.771 -5.066 -3.073 1.00 0.00 C ATOM 1253 C LYS B 6 -1.400 -5.391 -4.533 1.00 0.00 C ATOM 1254 O LYS B 6 -2.012 -6.209 -5.174 1.00 0.00 O ATOM 1255 CB LYS B 6 -0.928 -5.942 -2.115 1.00 0.00 C ATOM 1256 CG LYS B 6 -0.025 -5.052 -1.251 1.00 0.00 C ATOM 1257 CD LYS B 6 -0.862 -4.371 -0.156 1.00 0.00 C ATOM 1258 CE LYS B 6 -1.070 -2.894 -0.507 1.00 0.00 C ATOM 1259 NZ LYS B 6 -1.334 -2.120 0.740 1.00 0.00 N ATOM 0 H LYS B 6 -3.793 -4.425 -2.741 1.00 0.00 H new ATOM 0 HA LYS B 6 -1.554 -4.013 -2.892 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -1.584 -6.535 -1.479 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -0.321 -6.643 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS B 6 0.766 -5.650 -0.798 1.00 0.00 H new ATOM 0 HG3 LYS B 6 0.461 -4.299 -1.872 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -1.826 -4.871 -0.058 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -0.359 -4.458 0.807 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -0.187 -2.501 -1.012 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -1.906 -2.787 -1.198 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -1.475 -1.117 0.503 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -2.188 -2.490 1.204 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -0.523 -2.212 1.384 1.00 0.00 H new ATOM 1273 N LEU B 7 -0.372 -4.739 -5.037 1.00 0.00 N ATOM 1274 CA LEU B 7 0.106 -4.974 -6.443 1.00 0.00 C ATOM 1275 C LEU B 7 1.293 -4.022 -6.712 1.00 0.00 C ATOM 1276 O LEU B 7 1.172 -3.089 -7.485 1.00 0.00 O ATOM 1277 CB LEU B 7 -1.013 -4.706 -7.472 1.00 0.00 C ATOM 1278 CG LEU B 7 -0.546 -5.145 -8.890 1.00 0.00 C ATOM 1279 CD1 LEU B 7 -0.128 -6.624 -8.881 1.00 0.00 C ATOM 1280 CD2 LEU B 7 -1.692 -4.944 -9.911 1.00 0.00 C ATOM 0 H LEU B 7 0.165 -4.041 -4.522 1.00 0.00 H new ATOM 0 HA LEU B 7 0.409 -6.016 -6.547 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.915 -5.251 -7.192 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -1.269 -3.647 -7.476 1.00 0.00 H new ATOM 0 HG LEU B 7 0.309 -4.533 -9.177 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.196 -6.917 -9.880 1.00 0.00 H new ATOM 0 HD12 LEU B 7 0.692 -6.766 -8.177 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.975 -7.240 -8.580 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.356 -5.254 -10.901 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -2.552 -5.545 -9.615 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -1.976 -3.892 -9.937 1.00 0.00 H new ATOM 1292 N PRO B 8 2.420 -4.285 -6.056 1.00 0.00 N ATOM 1293 CA PRO B 8 3.624 -3.462 -6.218 1.00 0.00 C ATOM 1294 C PRO B 8 4.270 -3.783 -7.575 1.00 0.00 C ATOM 1295 O PRO B 8 3.716 -4.564 -8.316 1.00 0.00 O ATOM 1296 CB PRO B 8 4.519 -3.894 -5.041 1.00 0.00 C ATOM 1297 CG PRO B 8 4.030 -5.298 -4.609 1.00 0.00 C ATOM 1298 CD PRO B 8 2.587 -5.428 -5.121 1.00 0.00 C ATOM 0 HA PRO B 8 3.439 -2.388 -6.209 1.00 0.00 H new ATOM 0 HB2 PRO B 8 5.567 -3.923 -5.341 1.00 0.00 H new ATOM 0 HB3 PRO B 8 4.443 -3.186 -4.216 1.00 0.00 H new ATOM 0 HG2 PRO B 8 4.664 -6.078 -5.031 1.00 0.00 H new ATOM 0 HG3 PRO B 8 4.069 -5.407 -3.525 1.00 0.00 H new ATOM 0 HD2 PRO B 8 2.429 -6.381 -5.627 1.00 0.00 H new ATOM 0 HD3 PRO B 8 1.869 -5.379 -4.302 1.00 0.00 H new ATOM 1306 N PRO B 9 5.423 -3.175 -7.881 1.00 0.00 N ATOM 1307 CA PRO B 9 6.112 -3.440 -9.147 1.00 0.00 C ATOM 1308 C PRO B 9 6.937 -4.739 -9.043 1.00 0.00 C ATOM 1309 O PRO B 9 8.144 -4.736 -9.196 1.00 0.00 O ATOM 1310 CB PRO B 9 7.019 -2.221 -9.336 1.00 0.00 C ATOM 1311 CG PRO B 9 7.231 -1.606 -7.923 1.00 0.00 C ATOM 1312 CD PRO B 9 6.111 -2.172 -7.023 1.00 0.00 C ATOM 0 HA PRO B 9 5.430 -3.580 -9.986 1.00 0.00 H new ATOM 0 HB2 PRO B 9 7.971 -2.511 -9.780 1.00 0.00 H new ATOM 0 HB3 PRO B 9 6.561 -1.497 -10.010 1.00 0.00 H new ATOM 0 HG2 PRO B 9 8.213 -1.868 -7.530 1.00 0.00 H new ATOM 0 HG3 PRO B 9 7.183 -0.518 -7.963 1.00 0.00 H new ATOM 0 HD2 PRO B 9 6.518 -2.631 -6.122 1.00 0.00 H new ATOM 0 HD3 PRO B 9 5.426 -1.388 -6.700 1.00 0.00 H new ATOM 1320 N LYS B 10 6.279 -5.846 -8.792 1.00 0.00 N ATOM 1321 CA LYS B 10 6.981 -7.151 -8.682 1.00 0.00 C ATOM 1322 C LYS B 10 6.030 -8.253 -9.178 1.00 0.00 C ATOM 1323 O LYS B 10 6.235 -8.831 -10.224 1.00 0.00 O ATOM 1324 CB LYS B 10 7.362 -7.419 -7.213 1.00 0.00 C ATOM 1325 CG LYS B 10 8.071 -6.195 -6.621 1.00 0.00 C ATOM 1326 CD LYS B 10 8.786 -6.596 -5.326 1.00 0.00 C ATOM 1327 CE LYS B 10 7.754 -6.951 -4.251 1.00 0.00 C ATOM 1328 NZ LYS B 10 7.370 -5.722 -3.501 1.00 0.00 N ATOM 0 H LYS B 10 5.269 -5.894 -8.658 1.00 0.00 H new ATOM 0 HA LYS B 10 7.891 -7.138 -9.282 1.00 0.00 H new ATOM 0 HB2 LYS B 10 6.468 -7.647 -6.633 1.00 0.00 H new ATOM 0 HB3 LYS B 10 8.013 -8.291 -7.151 1.00 0.00 H new ATOM 0 HG2 LYS B 10 8.789 -5.796 -7.337 1.00 0.00 H new ATOM 0 HG3 LYS B 10 7.348 -5.404 -6.420 1.00 0.00 H new ATOM 0 HD2 LYS B 10 9.440 -7.448 -5.510 1.00 0.00 H new ATOM 0 HD3 LYS B 10 9.418 -5.778 -4.980 1.00 0.00 H new ATOM 0 HE2 LYS B 10 6.873 -7.398 -4.712 1.00 0.00 H new ATOM 0 HE3 LYS B 10 8.167 -7.692 -3.567 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 6.620 -5.952 -2.818 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 8.199 -5.352 -2.994 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 7.022 -5.003 -4.167 1.00 0.00 H new ATOM 1342 N THR B 11 4.975 -8.535 -8.427 1.00 0.00 N ATOM 1343 CA THR B 11 3.970 -9.592 -8.830 1.00 0.00 C ATOM 1344 C THR B 11 3.094 -9.923 -7.614 1.00 0.00 C ATOM 1345 O THR B 11 3.518 -10.641 -6.724 1.00 0.00 O ATOM 1346 CB THR B 11 4.676 -10.892 -9.300 1.00 0.00 C ATOM 1347 OG1 THR B 11 6.017 -10.920 -8.826 1.00 0.00 O ATOM 1348 CG2 THR B 11 4.666 -10.961 -10.830 1.00 0.00 C ATOM 0 H THR B 11 4.766 -8.072 -7.542 1.00 0.00 H new ATOM 0 HA THR B 11 3.372 -9.205 -9.655 1.00 0.00 H new ATOM 0 HB THR B 11 4.141 -11.751 -8.896 1.00 0.00 H new ATOM 0 HG1 THR B 11 6.595 -10.434 -9.451 1.00 0.00 H new ATOM 0 HG21 THR B 11 5.162 -11.875 -11.156 1.00 0.00 H new ATOM 0 HG22 THR B 11 3.636 -10.960 -11.188 1.00 0.00 H new ATOM 0 HG23 THR B 11 5.192 -10.097 -11.237 1.00 0.00 H new ATOM 1356 N TYR B 12 1.876 -9.412 -7.556 1.00 0.00 N ATOM 1357 CA TYR B 12 1.005 -9.720 -6.376 1.00 0.00 C ATOM 1358 C TYR B 12 -0.501 -9.712 -6.774 1.00 0.00 C ATOM 1359 O TYR B 12 -0.981 -10.682 -7.333 1.00 0.00 O ATOM 1360 CB TYR B 12 1.303 -8.720 -5.245 1.00 0.00 C ATOM 1361 CG TYR B 12 0.777 -9.274 -3.937 1.00 0.00 C ATOM 1362 CD1 TYR B 12 1.590 -10.108 -3.156 1.00 0.00 C ATOM 1363 CD2 TYR B 12 -0.520 -8.963 -3.509 1.00 0.00 C ATOM 1364 CE1 TYR B 12 1.106 -10.627 -1.949 1.00 0.00 C ATOM 1365 CE2 TYR B 12 -1.001 -9.485 -2.300 1.00 0.00 C ATOM 1366 CZ TYR B 12 -0.188 -10.316 -1.521 1.00 0.00 C ATOM 1367 OH TYR B 12 -0.668 -10.829 -0.332 1.00 0.00 O ATOM 0 H TYR B 12 1.459 -8.807 -8.263 1.00 0.00 H new ATOM 0 HA TYR B 12 1.229 -10.724 -6.017 1.00 0.00 H new ATOM 0 HB2 TYR B 12 2.376 -8.543 -5.173 1.00 0.00 H new ATOM 0 HB3 TYR B 12 0.836 -7.759 -5.461 1.00 0.00 H new ATOM 0 HD1 TYR B 12 2.590 -10.350 -3.486 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -1.149 -8.322 -4.109 1.00 0.00 H new ATOM 0 HE1 TYR B 12 1.733 -11.268 -1.348 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -2.001 -9.245 -1.969 1.00 0.00 H new ATOM 0 HH TYR B 12 -1.584 -10.512 -0.185 1.00 0.00 H new ATOM 1377 N LYS B 13 -1.264 -8.654 -6.481 1.00 0.00 N ATOM 1378 CA LYS B 13 -2.725 -8.677 -6.846 1.00 0.00 C ATOM 1379 C LYS B 13 -3.196 -7.344 -7.521 1.00 0.00 C ATOM 1380 O LYS B 13 -2.929 -7.127 -8.684 1.00 0.00 O ATOM 1381 CB LYS B 13 -3.555 -8.968 -5.587 1.00 0.00 C ATOM 1382 CG LYS B 13 -3.191 -10.355 -5.019 1.00 0.00 C ATOM 1383 CD LYS B 13 -4.431 -11.258 -5.014 1.00 0.00 C ATOM 1384 CE LYS B 13 -4.006 -12.711 -5.243 1.00 0.00 C ATOM 1385 NZ LYS B 13 -5.101 -13.627 -4.808 1.00 0.00 N ATOM 0 H LYS B 13 -0.939 -7.805 -6.018 1.00 0.00 H new ATOM 0 HA LYS B 13 -2.875 -9.466 -7.582 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -3.372 -8.200 -4.836 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -4.618 -8.932 -5.827 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -2.403 -10.808 -5.620 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -2.801 -10.252 -4.006 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -4.956 -11.167 -4.063 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -5.126 -10.944 -5.793 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -3.780 -12.873 -6.297 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -3.095 -12.926 -4.685 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -4.811 -14.613 -4.964 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -5.296 -13.479 -3.797 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -5.960 -13.427 -5.359 1.00 0.00 H new ATOM 1399 N ARG B 14 -3.948 -6.471 -6.826 1.00 0.00 N ATOM 1400 CA ARG B 14 -4.461 -5.219 -7.504 1.00 0.00 C ATOM 1401 C ARG B 14 -4.012 -3.924 -6.802 1.00 0.00 C ATOM 1402 O ARG B 14 -3.357 -3.093 -7.398 1.00 0.00 O ATOM 1403 CB ARG B 14 -5.993 -5.244 -7.513 1.00 0.00 C ATOM 1404 CG ARG B 14 -6.526 -4.160 -8.462 1.00 0.00 C ATOM 1405 CD ARG B 14 -7.088 -2.989 -7.650 1.00 0.00 C ATOM 1406 NE ARG B 14 -8.564 -3.136 -7.523 1.00 0.00 N ATOM 1407 CZ ARG B 14 -9.112 -3.186 -6.340 1.00 0.00 C ATOM 1408 NH1 ARG B 14 -8.868 -2.245 -5.467 1.00 0.00 N ATOM 1409 NH2 ARG B 14 -9.904 -4.176 -6.030 1.00 0.00 N ATOM 0 H ARG B 14 -4.215 -6.578 -5.847 1.00 0.00 H new ATOM 0 HA ARG B 14 -4.046 -5.216 -8.512 1.00 0.00 H new ATOM 0 HB2 ARG B 14 -6.348 -6.225 -7.830 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -6.374 -5.078 -6.506 1.00 0.00 H new ATOM 0 HG2 ARG B 14 -5.726 -3.811 -9.115 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -7.303 -4.576 -9.103 1.00 0.00 H new ATOM 0 HD2 ARG B 14 -6.628 -2.964 -6.662 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -6.847 -2.045 -8.138 1.00 0.00 H new ATOM 0 HE ARG B 14 -9.145 -3.197 -8.359 1.00 0.00 H new ATOM 0 HH11 ARG B 14 -8.249 -1.472 -5.710 1.00 0.00 H new ATOM 0 HH12 ARG B 14 -9.296 -2.284 -4.542 1.00 0.00 H new ATOM 0 HH21 ARG B 14 -10.094 -4.910 -6.712 1.00 0.00 H new ATOM 0 HH22 ARG B 14 -10.333 -4.216 -5.105 1.00 0.00 H new ATOM 1423 N GLU B 15 -4.410 -3.718 -5.564 1.00 0.00 N ATOM 1424 CA GLU B 15 -4.045 -2.441 -4.855 1.00 0.00 C ATOM 1425 C GLU B 15 -2.522 -2.364 -4.628 1.00 0.00 C ATOM 1426 O GLU B 15 -2.114 -1.977 -3.541 1.00 0.00 O ATOM 1427 CB GLU B 15 -4.788 -2.372 -3.506 1.00 0.00 C ATOM 1428 CG GLU B 15 -5.425 -0.990 -3.338 1.00 0.00 C ATOM 1429 CD GLU B 15 -4.359 0.011 -2.886 1.00 0.00 C ATOM 1430 OE1 GLU B 15 -4.007 -0.014 -1.718 1.00 0.00 O ATOM 1431 OE2 GLU B 15 -3.912 0.785 -3.717 1.00 0.00 O ATOM 1432 OXT GLU B 15 -1.793 -2.672 -5.551 1.00 0.00 O ATOM 0 H GLU B 15 -4.968 -4.373 -5.016 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.341 -1.594 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.556 -3.145 -3.463 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -4.095 -2.565 -2.688 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -5.868 -0.665 -4.279 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -6.231 -1.036 -2.605 1.00 0.00 H new TER 1439 GLU B 15