USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 914 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 96 ASN : amide:sc= -0.487 K(o=-0.38,f=-4.2!) USER MOD Set 1.2: A 98 GLN : amide:sc= 0.107 K(o=-0.38,f=-1.7) USER MOD Set 2.1: A 84 ASN : amide:sc= 0.364 K(o=1.1,f=-2.5) USER MOD Set 2.2: A 87 LYS NZ :NH3+ -166:sc= 0.71 (180deg=0) USER MOD Set 3.1: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.284 X(o=0.28,f=0) USER MOD Single : A 6 SER OG : rot -46:sc= 0.73 USER MOD Single : A 7 GLN : amide:sc= 0.37 X(o=0.37,f=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.313 K(o=0.31,f=-3.4!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.29) USER MOD Single : A 16 LYS NZ :NH3+ -109:sc= 0.182 (180deg=-1.09!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.067) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= 0.809 (180deg=0.61) USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= 0.298 (180deg=0.127) USER MOD Single : A 41 THR OG1 : rot 76:sc= 0.811 USER MOD Single : A 42 CYS SG : rot 28:sc= 0.989 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 50 THR OG1 : rot 72:sc= 0.341 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -125:sc= -0.852 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.16) USER MOD Single : A 69 THR OG1 : rot 75:sc= 1.1 USER MOD Single : A 78 THR OG1 : rot -97:sc= 0.0292 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 130:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -155:sc= 1.44 (180deg=1.19) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl 176:sc= 0 (180deg=-0.0261) USER MOD Single : A 105 GLN : amide:sc= 0.528 K(o=0.53,f=-3.5!) USER MOD Single : A 106 THR OG1 : rot 76:sc= 1.25 USER MOD Single : A 111 LYS NZ :NH3+ 156:sc= 0.673 (180deg=0.384) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 1.351 0.851 1.995 1.00 25.00 N ATOM 44 CA GLY A 2 0.894 1.749 3.049 1.00 25.00 C ATOM 45 C GLY A 2 0.444 3.091 2.518 1.00 25.00 C ATOM 46 O GLY A 2 -0.495 3.689 3.048 1.00 25.00 O ATOM 0 HA2 GLY A 2 0.070 1.281 3.587 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.700 1.899 3.768 1.00 25.00 H new ATOM 50 N GLN A 3 1.084 3.562 1.458 1.00 25.00 N ATOM 51 CA GLN A 3 0.709 4.838 0.853 1.00 25.00 C ATOM 52 C GLN A 3 -0.685 4.767 0.210 1.00 25.00 C ATOM 53 O GLN A 3 -1.454 5.713 0.310 1.00 25.00 O ATOM 54 CB GLN A 3 1.778 5.294 -0.155 1.00 25.00 C ATOM 55 CG GLN A 3 1.979 4.382 -1.370 1.00 25.00 C ATOM 56 CD GLN A 3 3.181 4.794 -2.193 1.00 25.00 C ATOM 57 OE1 GLN A 3 3.060 5.516 -3.168 1.00 25.00 O ATOM 58 NE2 GLN A 3 4.341 4.348 -1.801 1.00 25.00 N ATOM 0 H GLN A 3 1.861 3.086 0.999 1.00 25.00 H new ATOM 0 HA GLN A 3 0.656 5.586 1.644 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.514 6.290 -0.511 1.00 25.00 H new ATOM 0 HB3 GLN A 3 2.729 5.385 0.369 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.105 3.353 -1.034 1.00 25.00 H new ATOM 0 HG3 GLN A 3 1.086 4.407 -1.994 1.00 25.00 H new ATOM 0 HE21 GLN A 3 4.405 3.746 -0.980 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.185 4.601 -2.315 1.00 25.00 H new ATOM 67 N GLU A 4 -1.038 3.639 -0.391 1.00 25.00 N ATOM 68 CA GLU A 4 -2.375 3.470 -0.964 1.00 25.00 C ATOM 69 C GLU A 4 -3.368 3.299 0.176 1.00 25.00 C ATOM 70 O GLU A 4 -4.430 3.904 0.184 1.00 25.00 O ATOM 71 CB GLU A 4 -2.400 2.250 -1.905 1.00 25.00 C ATOM 72 CG GLU A 4 -3.758 1.520 -2.038 1.00 25.00 C ATOM 73 CD GLU A 4 -4.888 2.396 -2.587 1.00 25.00 C ATOM 74 OE1 GLU A 4 -4.607 3.406 -3.259 1.00 25.00 O ATOM 75 OE2 GLU A 4 -6.075 2.054 -2.341 1.00 25.00 O ATOM 0 H GLU A 4 -0.425 2.830 -0.496 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.646 4.346 -1.553 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.087 2.576 -2.897 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.658 1.532 -1.556 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.632 0.657 -2.692 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.051 1.139 -1.060 1.00 25.00 H new ATOM 82 N LEU A 5 -3.001 2.502 1.168 1.00 25.00 N ATOM 83 CA LEU A 5 -3.896 2.227 2.287 1.00 25.00 C ATOM 84 C LEU A 5 -4.286 3.514 3.037 1.00 25.00 C ATOM 85 O LEU A 5 -5.455 3.707 3.343 1.00 25.00 O ATOM 86 CB LEU A 5 -3.247 1.208 3.222 1.00 25.00 C ATOM 87 CG LEU A 5 -3.072 -0.226 2.691 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.218 -1.031 3.664 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.404 -0.930 2.488 1.00 25.00 C ATOM 0 H LEU A 5 -2.096 2.036 1.223 1.00 25.00 H new ATOM 0 HA LEU A 5 -4.822 1.806 1.895 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.264 1.586 3.503 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -3.842 1.160 4.134 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.581 -0.158 1.720 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.095 -2.046 3.286 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.240 -0.561 3.765 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -2.707 -1.063 4.637 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.229 -1.938 2.113 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -4.936 -0.984 3.438 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.004 -0.374 1.768 1.00 25.00 H new ATOM 101 N SER A 6 -3.338 4.418 3.263 1.00 25.00 N ATOM 102 CA SER A 6 -3.630 5.743 3.834 1.00 25.00 C ATOM 103 C SER A 6 -4.593 6.618 3.026 1.00 25.00 C ATOM 104 O SER A 6 -5.218 7.511 3.586 1.00 25.00 O ATOM 105 CB SER A 6 -2.324 6.532 4.012 1.00 25.00 C ATOM 106 OG SER A 6 -1.802 6.996 2.778 1.00 25.00 O ATOM 0 H SER A 6 -2.351 4.262 3.060 1.00 25.00 H new ATOM 0 HA SER A 6 -4.126 5.524 4.779 1.00 25.00 H new ATOM 0 HB2 SER A 6 -2.503 7.382 4.671 1.00 25.00 H new ATOM 0 HB3 SER A 6 -1.584 5.899 4.502 1.00 25.00 H new ATOM 0 HG SER A 6 -1.828 6.271 2.119 1.00 25.00 H new ATOM 112 N GLN A 7 -4.697 6.387 1.725 1.00 25.00 N ATOM 113 CA GLN A 7 -5.571 7.190 0.864 1.00 25.00 C ATOM 114 C GLN A 7 -6.898 6.470 0.636 1.00 25.00 C ATOM 115 O GLN A 7 -7.881 7.059 0.181 1.00 25.00 O ATOM 116 CB GLN A 7 -4.880 7.449 -0.477 1.00 25.00 C ATOM 117 CG GLN A 7 -3.619 8.299 -0.346 1.00 25.00 C ATOM 118 CD GLN A 7 -2.910 8.485 -1.667 1.00 25.00 C ATOM 119 OE1 GLN A 7 -3.098 9.477 -2.350 1.00 25.00 O ATOM 120 NE2 GLN A 7 -2.082 7.541 -2.022 1.00 25.00 N ATOM 0 H GLN A 7 -4.188 5.650 1.237 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.771 8.142 1.355 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -4.622 6.495 -0.936 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -5.579 7.947 -1.149 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -3.883 9.275 0.062 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -2.939 7.829 0.365 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -1.951 6.726 -1.423 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.565 7.619 -2.898 1.00 25.00 H new ATOM 129 N HIS A 8 -6.928 5.191 0.975 1.00 25.00 N ATOM 130 CA HIS A 8 -8.125 4.371 0.820 1.00 25.00 C ATOM 131 C HIS A 8 -9.063 4.633 1.985 1.00 25.00 C ATOM 132 O HIS A 8 -9.147 3.831 2.900 1.00 25.00 O ATOM 133 CB HIS A 8 -7.730 2.889 0.770 1.00 25.00 C ATOM 134 CG HIS A 8 -8.724 2.022 0.062 1.00 25.00 C ATOM 135 ND1 HIS A 8 -8.595 1.660 -1.279 1.00 25.00 N ATOM 136 CD2 HIS A 8 -9.865 1.406 0.477 1.00 25.00 C ATOM 137 CE1 HIS A 8 -9.618 0.885 -1.616 1.00 25.00 C ATOM 138 NE2 HIS A 8 -10.390 0.716 -0.573 1.00 25.00 N ATOM 0 H HIS A 8 -6.128 4.691 1.364 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.634 4.627 -0.110 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -6.764 2.797 0.274 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -7.602 2.522 1.788 1.00 25.00 H new ATOM 0 HD1 HIS A 8 -7.837 1.945 -1.900 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -10.283 1.456 1.471 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -9.787 0.461 -2.595 1.00 25.00 H new ATOM 146 N GLU A 9 -9.752 5.765 1.971 1.00 25.00 N ATOM 147 CA GLU A 9 -10.576 6.190 3.111 1.00 25.00 C ATOM 148 C GLU A 9 -11.519 5.120 3.670 1.00 25.00 C ATOM 149 O GLU A 9 -11.713 5.047 4.865 1.00 25.00 O ATOM 150 CB GLU A 9 -11.377 7.447 2.758 1.00 25.00 C ATOM 151 CG GLU A 9 -10.584 8.745 2.940 1.00 25.00 C ATOM 152 CD GLU A 9 -10.604 9.252 4.391 1.00 25.00 C ATOM 153 OE1 GLU A 9 -10.068 8.561 5.287 1.00 25.00 O ATOM 154 OE2 GLU A 9 -11.167 10.338 4.633 1.00 25.00 O ATOM 0 H GLU A 9 -9.761 6.413 1.183 1.00 25.00 H new ATOM 0 HA GLU A 9 -9.860 6.397 3.906 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -11.712 7.377 1.723 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.271 7.486 3.380 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -9.552 8.582 2.630 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -10.996 9.513 2.285 1.00 25.00 H new ATOM 161 N ARG A 10 -12.052 4.241 2.832 1.00 25.00 N ATOM 162 CA ARG A 10 -12.928 3.163 3.332 1.00 25.00 C ATOM 163 C ARG A 10 -12.196 2.217 4.297 1.00 25.00 C ATOM 164 O ARG A 10 -12.781 1.718 5.253 1.00 25.00 O ATOM 165 CB ARG A 10 -13.508 2.365 2.160 1.00 25.00 C ATOM 166 CG ARG A 10 -14.994 2.623 1.913 1.00 25.00 C ATOM 167 CD ARG A 10 -15.259 4.042 1.409 1.00 25.00 C ATOM 168 NE ARG A 10 -16.689 4.249 1.120 1.00 25.00 N ATOM 169 CZ ARG A 10 -17.237 5.400 0.742 1.00 25.00 C ATOM 170 NH1 ARG A 10 -16.533 6.498 0.595 1.00 25.00 N ATOM 171 NH2 ARG A 10 -18.519 5.447 0.507 1.00 25.00 N ATOM 0 H ARG A 10 -11.905 4.242 1.823 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.736 3.638 3.888 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -12.951 2.609 1.255 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -13.360 1.302 2.348 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.369 1.905 1.184 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -15.548 2.458 2.837 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -14.929 4.763 2.156 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -14.673 4.226 0.508 1.00 25.00 H new ATOM 0 HE ARG A 10 -17.308 3.445 1.218 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -15.529 6.487 0.772 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -16.990 7.362 0.303 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -19.088 4.607 0.614 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -18.952 6.323 0.216 1.00 25.00 H new ATOM 185 N TYR A 11 -10.910 2.012 4.059 1.00 25.00 N ATOM 186 CA TYR A 11 -10.071 1.173 4.913 1.00 25.00 C ATOM 187 C TYR A 11 -9.586 2.005 6.091 1.00 25.00 C ATOM 188 O TYR A 11 -9.545 1.532 7.231 1.00 25.00 O ATOM 189 CB TYR A 11 -8.889 0.657 4.091 1.00 25.00 C ATOM 190 CG TYR A 11 -7.791 0.016 4.899 1.00 25.00 C ATOM 191 CD1 TYR A 11 -7.929 -1.288 5.410 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.589 0.708 5.148 1.00 25.00 C ATOM 193 CE1 TYR A 11 -6.882 -1.888 6.155 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.542 0.102 5.883 1.00 25.00 C ATOM 195 CZ TYR A 11 -5.702 -1.191 6.380 1.00 25.00 C ATOM 196 OH TYR A 11 -4.691 -1.774 7.101 1.00 25.00 O ATOM 0 H TYR A 11 -10.414 2.422 3.268 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.635 0.320 5.291 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.258 -0.068 3.365 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.467 1.488 3.525 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -8.842 -1.838 5.233 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.465 1.713 4.773 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.002 -2.887 6.547 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.622 0.640 6.058 1.00 25.00 H new ATOM 0 HH TYR A 11 -3.935 -1.153 7.166 1.00 25.00 H new ATOM 206 N VAL A 12 -9.275 3.267 5.823 1.00 25.00 N ATOM 207 CA VAL A 12 -8.871 4.202 6.873 1.00 25.00 C ATOM 208 C VAL A 12 -9.963 4.296 7.943 1.00 25.00 C ATOM 209 O VAL A 12 -9.639 4.308 9.111 1.00 25.00 O ATOM 210 CB VAL A 12 -8.564 5.620 6.296 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.165 6.616 7.393 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.421 5.550 5.278 1.00 25.00 C ATOM 0 H VAL A 12 -9.294 3.670 4.886 1.00 25.00 H new ATOM 0 HA VAL A 12 -7.955 3.820 7.323 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.482 5.966 5.820 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -7.961 7.588 6.945 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -8.979 6.711 8.112 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.271 6.257 7.903 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.221 6.547 4.886 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.525 5.164 5.763 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.703 4.889 4.459 1.00 25.00 H new ATOM 222 N GLU A 13 -11.240 4.303 7.572 1.00 25.00 N ATOM 223 CA GLU A 13 -12.329 4.362 8.567 1.00 25.00 C ATOM 224 C GLU A 13 -12.233 3.228 9.592 1.00 25.00 C ATOM 225 O GLU A 13 -12.341 3.457 10.798 1.00 25.00 O ATOM 226 CB GLU A 13 -13.714 4.289 7.901 1.00 25.00 C ATOM 227 CG GLU A 13 -14.146 5.538 7.112 1.00 25.00 C ATOM 228 CD GLU A 13 -14.350 6.778 7.978 1.00 25.00 C ATOM 229 OE1 GLU A 13 -14.315 6.685 9.222 1.00 25.00 O ATOM 230 OE2 GLU A 13 -14.453 7.877 7.401 1.00 25.00 O ATOM 0 H GLU A 13 -11.554 4.269 6.602 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.213 5.320 9.074 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.726 3.434 7.225 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.458 4.096 8.674 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -13.393 5.756 6.355 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -15.074 5.319 6.584 1.00 25.00 H new ATOM 237 N GLN A 14 -11.984 2.012 9.132 1.00 25.00 N ATOM 238 CA GLN A 14 -11.851 0.888 10.053 1.00 25.00 C ATOM 239 C GLN A 14 -10.578 1.028 10.873 1.00 25.00 C ATOM 240 O GLN A 14 -10.551 0.716 12.065 1.00 25.00 O ATOM 241 CB GLN A 14 -11.852 -0.442 9.298 1.00 25.00 C ATOM 242 CG GLN A 14 -13.173 -0.731 8.594 1.00 25.00 C ATOM 243 CD GLN A 14 -14.369 -0.586 9.523 1.00 25.00 C ATOM 244 OE1 GLN A 14 -15.275 0.182 9.257 1.00 25.00 O ATOM 245 NE2 GLN A 14 -14.360 -1.300 10.621 1.00 25.00 N ATOM 0 H GLN A 14 -11.871 1.777 8.146 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.708 0.896 10.726 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -11.049 -0.435 8.561 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.636 -1.250 9.997 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.288 -0.051 7.750 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -13.152 -1.743 8.189 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.584 -1.934 10.811 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -15.129 -1.222 11.286 1.00 25.00 H new ATOM 254 N LEU A 15 -9.536 1.573 10.270 1.00 25.00 N ATOM 255 CA LEU A 15 -8.316 1.841 11.015 1.00 25.00 C ATOM 256 C LEU A 15 -8.495 2.973 12.025 1.00 25.00 C ATOM 257 O LEU A 15 -7.760 3.023 12.992 1.00 25.00 O ATOM 258 CB LEU A 15 -7.138 2.163 10.095 1.00 25.00 C ATOM 259 CG LEU A 15 -6.406 1.007 9.396 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.108 1.582 8.825 1.00 25.00 C ATOM 261 CD2 LEU A 15 -6.067 -0.162 10.337 1.00 25.00 C ATOM 0 H LEU A 15 -9.507 1.835 9.285 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.094 0.922 11.557 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.499 2.840 9.321 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.402 2.713 10.682 1.00 25.00 H new ATOM 0 HG LEU A 15 -7.062 0.599 8.627 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.553 0.793 8.317 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.343 2.375 8.115 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -4.502 1.988 9.635 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -5.552 -0.942 9.777 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -5.423 0.193 11.141 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -6.986 -0.567 10.760 1.00 25.00 H new ATOM 273 N LYS A 16 -9.453 3.876 11.838 1.00 25.00 N ATOM 274 CA LYS A 16 -9.679 4.946 12.822 1.00 25.00 C ATOM 275 C LYS A 16 -10.130 4.290 14.109 1.00 25.00 C ATOM 276 O LYS A 16 -9.688 4.666 15.191 1.00 25.00 O ATOM 277 CB LYS A 16 -10.725 5.975 12.344 1.00 25.00 C ATOM 278 CG LYS A 16 -10.261 6.860 11.175 1.00 25.00 C ATOM 279 CD LYS A 16 -11.409 7.699 10.595 1.00 25.00 C ATOM 280 CE LYS A 16 -11.050 8.236 9.193 1.00 25.00 C ATOM 281 NZ LYS A 16 -12.149 9.034 8.535 1.00 25.00 N ATOM 0 H LYS A 16 -10.078 3.895 11.032 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.753 5.502 12.966 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.628 5.444 12.045 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -10.996 6.616 13.183 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.465 7.522 11.516 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -9.839 6.232 10.390 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.313 7.093 10.535 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -11.628 8.533 11.262 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -10.161 8.861 9.273 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -10.792 7.395 8.549 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -12.550 8.488 7.746 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -12.895 9.236 9.230 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -11.760 9.929 8.175 1.00 25.00 H new ATOM 295 N GLN A 17 -10.949 3.256 13.987 1.00 25.00 N ATOM 296 CA GLN A 17 -11.386 2.491 15.150 1.00 25.00 C ATOM 297 C GLN A 17 -10.195 1.712 15.721 1.00 25.00 C ATOM 298 O GLN A 17 -9.918 1.761 16.920 1.00 25.00 O ATOM 299 CB GLN A 17 -12.509 1.518 14.759 1.00 25.00 C ATOM 300 CG GLN A 17 -13.721 2.186 14.105 1.00 25.00 C ATOM 301 CD GLN A 17 -14.819 1.192 13.761 1.00 25.00 C ATOM 302 OE1 GLN A 17 -14.571 0.013 13.565 1.00 25.00 O ATOM 303 NE2 GLN A 17 -16.034 1.667 13.690 1.00 25.00 N ATOM 0 H GLN A 17 -11.325 2.926 13.098 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.770 3.177 15.905 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.106 0.773 14.074 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.839 0.985 15.651 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -14.120 2.945 14.778 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -13.403 2.700 13.198 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -16.205 2.658 13.860 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -16.812 1.047 13.465 1.00 25.00 H new ATOM 312 N ALA A 18 -9.470 1.023 14.847 1.00 25.00 N ATOM 313 CA ALA A 18 -8.339 0.194 15.261 1.00 25.00 C ATOM 314 C ALA A 18 -7.208 0.983 15.957 1.00 25.00 C ATOM 315 O ALA A 18 -6.713 0.563 16.998 1.00 25.00 O ATOM 316 CB ALA A 18 -7.796 -0.571 14.054 1.00 25.00 C ATOM 0 H ALA A 18 -9.645 1.021 13.842 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.717 -0.501 16.010 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -6.953 -1.189 14.364 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.580 -1.207 13.643 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.467 0.136 13.293 1.00 25.00 H new ATOM 322 N LEU A 19 -6.804 2.121 15.404 1.00 25.00 N ATOM 323 CA LEU A 19 -5.751 2.942 16.017 1.00 25.00 C ATOM 324 C LEU A 19 -6.257 3.484 17.356 1.00 25.00 C ATOM 325 O LEU A 19 -5.511 3.536 18.337 1.00 25.00 O ATOM 326 CB LEU A 19 -5.340 4.126 15.110 1.00 25.00 C ATOM 327 CG LEU A 19 -4.094 3.940 14.208 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.407 3.315 12.841 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.400 5.292 13.969 1.00 25.00 C ATOM 0 H LEU A 19 -7.184 2.500 14.536 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.873 2.312 16.162 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.187 4.367 14.467 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.167 4.993 15.747 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.445 3.250 14.748 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.486 3.216 12.267 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.852 2.331 12.984 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.105 3.954 12.300 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.526 5.145 13.334 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.094 5.976 13.480 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.087 5.714 14.924 1.00 25.00 H new ATOM 341 N LYS A 20 -7.527 3.870 17.409 1.00 25.00 N ATOM 342 CA LYS A 20 -8.104 4.421 18.640 1.00 25.00 C ATOM 343 C LYS A 20 -8.147 3.390 19.759 1.00 25.00 C ATOM 344 O LYS A 20 -7.762 3.700 20.880 1.00 25.00 O ATOM 345 CB LYS A 20 -9.519 4.963 18.373 1.00 25.00 C ATOM 346 CG LYS A 20 -10.238 5.546 19.601 1.00 25.00 C ATOM 347 CD LYS A 20 -9.571 6.823 20.127 1.00 25.00 C ATOM 348 CE LYS A 20 -10.245 7.312 21.413 1.00 25.00 C ATOM 349 NZ LYS A 20 -11.702 7.642 21.213 1.00 25.00 N ATOM 0 H LYS A 20 -8.176 3.814 16.624 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.458 5.237 18.963 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.456 5.736 17.607 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -10.128 4.157 17.963 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -11.274 5.763 19.341 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -10.258 4.798 20.394 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -8.515 6.633 20.317 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -9.623 7.603 19.367 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -10.152 6.545 22.182 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -9.723 8.196 21.779 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -12.081 8.078 22.078 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -11.802 8.305 20.418 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -12.230 6.770 21.005 1.00 25.00 H new ATOM 363 N THR A 21 -8.593 2.175 19.472 1.00 25.00 N ATOM 364 CA THR A 21 -8.676 1.145 20.514 1.00 25.00 C ATOM 365 C THR A 21 -7.285 0.669 20.927 1.00 25.00 C ATOM 366 O THR A 21 -7.113 0.095 21.996 1.00 25.00 O ATOM 367 CB THR A 21 -9.556 -0.070 20.085 1.00 25.00 C ATOM 368 OG1 THR A 21 -9.838 -0.879 21.228 1.00 25.00 O ATOM 369 CG2 THR A 21 -8.875 -0.946 19.046 1.00 25.00 C ATOM 0 H THR A 21 -8.899 1.876 18.546 1.00 25.00 H new ATOM 0 HA THR A 21 -9.160 1.611 21.372 1.00 25.00 H new ATOM 0 HB THR A 21 -10.467 0.337 19.647 1.00 25.00 H new ATOM 0 HG1 THR A 21 -10.392 -1.642 20.960 1.00 25.00 H new ATOM 0 HG21 THR A 21 -9.531 -1.776 18.783 1.00 25.00 H new ATOM 0 HG22 THR A 21 -8.663 -0.355 18.155 1.00 25.00 H new ATOM 0 HG23 THR A 21 -7.942 -1.336 19.454 1.00 25.00 H new ATOM 377 N ARG A 22 -6.284 0.930 20.094 1.00 25.00 N ATOM 378 CA ARG A 22 -4.903 0.585 20.430 1.00 25.00 C ATOM 379 C ARG A 22 -4.341 1.566 21.449 1.00 25.00 C ATOM 380 O ARG A 22 -3.400 1.252 22.162 1.00 25.00 O ATOM 381 CB ARG A 22 -4.039 0.628 19.168 1.00 25.00 C ATOM 382 CG ARG A 22 -2.883 -0.358 19.147 1.00 25.00 C ATOM 383 CD ARG A 22 -3.356 -1.738 18.709 1.00 25.00 C ATOM 384 NE ARG A 22 -3.631 -2.617 19.858 1.00 25.00 N ATOM 385 CZ ARG A 22 -2.807 -3.550 20.325 1.00 25.00 C ATOM 386 NH1 ARG A 22 -1.644 -3.795 19.788 1.00 25.00 N ATOM 387 NH2 ARG A 22 -3.163 -4.259 21.354 1.00 25.00 N ATOM 0 H ARG A 22 -6.399 1.377 19.185 1.00 25.00 H new ATOM 0 HA ARG A 22 -4.892 -0.419 20.855 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.675 0.437 18.304 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.639 1.636 19.054 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -2.108 -0.002 18.468 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.434 -0.420 20.138 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -4.258 -1.637 18.105 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -2.598 -2.197 18.075 1.00 25.00 H new ATOM 0 HE ARG A 22 -4.526 -2.501 20.334 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -1.334 -3.261 18.976 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -1.044 -4.521 20.180 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -4.068 -4.097 21.796 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -2.538 -4.977 21.720 1.00 25.00 H new ATOM 401 N GLY A 23 -4.881 2.779 21.455 1.00 25.00 N ATOM 402 CA GLY A 23 -4.384 3.828 22.336 1.00 25.00 C ATOM 403 C GLY A 23 -3.033 4.337 21.870 1.00 25.00 C ATOM 404 O GLY A 23 -2.314 5.021 22.601 1.00 25.00 O ATOM 0 H GLY A 23 -5.661 3.060 20.861 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.097 4.652 22.364 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.301 3.444 23.353 1.00 25.00 H new ATOM 408 N VAL A 24 -2.655 3.940 20.663 1.00 25.00 N ATOM 409 CA VAL A 24 -1.320 4.214 20.147 1.00 25.00 C ATOM 410 C VAL A 24 -1.192 5.688 19.759 1.00 25.00 C ATOM 411 O VAL A 24 -2.003 6.233 19.007 1.00 25.00 O ATOM 412 CB VAL A 24 -0.968 3.231 18.966 1.00 25.00 C ATOM 413 CG1 VAL A 24 -1.888 3.423 17.740 1.00 25.00 C ATOM 414 CG2 VAL A 24 0.487 3.372 18.558 1.00 25.00 C ATOM 0 H VAL A 24 -3.256 3.425 20.020 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.585 4.030 20.930 1.00 25.00 H new ATOM 0 HB VAL A 24 -1.136 2.222 19.342 1.00 25.00 H new ATOM 0 HG11 VAL A 24 -1.602 2.721 16.957 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -2.923 3.241 18.030 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -1.790 4.443 17.367 1.00 25.00 H new ATOM 0 HG21 VAL A 24 0.704 2.683 17.742 1.00 25.00 H new ATOM 0 HG22 VAL A 24 0.676 4.394 18.230 1.00 25.00 H new ATOM 0 HG23 VAL A 24 1.128 3.140 19.409 1.00 25.00 H new ATOM 424 N LYS A 25 -0.184 6.355 20.307 1.00 25.00 N ATOM 425 CA LYS A 25 0.021 7.772 20.012 1.00 25.00 C ATOM 426 C LYS A 25 1.042 7.868 18.889 1.00 25.00 C ATOM 427 O LYS A 25 2.225 8.072 19.122 1.00 25.00 O ATOM 428 CB LYS A 25 0.528 8.489 21.272 1.00 25.00 C ATOM 429 CG LYS A 25 -0.449 8.402 22.449 1.00 25.00 C ATOM 430 CD LYS A 25 0.121 9.060 23.699 1.00 25.00 C ATOM 431 CE LYS A 25 -0.819 8.850 24.887 1.00 25.00 C ATOM 432 NZ LYS A 25 -0.264 9.444 26.155 1.00 25.00 N ATOM 0 H LYS A 25 0.496 5.948 20.949 1.00 25.00 H new ATOM 0 HA LYS A 25 -0.911 8.247 19.705 1.00 25.00 H new ATOM 0 HB2 LYS A 25 1.484 8.057 21.569 1.00 25.00 H new ATOM 0 HB3 LYS A 25 0.711 9.537 21.037 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -1.389 8.884 22.179 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -0.676 7.357 22.658 1.00 25.00 H new ATOM 0 HD2 LYS A 25 1.101 8.640 23.924 1.00 25.00 H new ATOM 0 HD3 LYS A 25 0.264 10.126 23.524 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -1.787 9.301 24.668 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -0.990 7.783 25.030 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -0.931 9.280 26.936 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 0.648 8.996 26.378 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -0.125 10.467 26.027 1.00 25.00 H new ATOM 446 N VAL A 26 0.547 7.752 17.667 1.00 25.00 N ATOM 447 CA VAL A 26 1.365 7.796 16.452 1.00 25.00 C ATOM 448 C VAL A 26 0.460 8.435 15.408 1.00 25.00 C ATOM 449 O VAL A 26 -0.737 8.151 15.376 1.00 25.00 O ATOM 450 CB VAL A 26 1.796 6.343 15.996 1.00 25.00 C ATOM 451 CG1 VAL A 26 2.404 6.343 14.590 1.00 25.00 C ATOM 452 CG2 VAL A 26 2.829 5.750 16.970 1.00 25.00 C ATOM 0 H VAL A 26 -0.448 7.623 17.482 1.00 25.00 H new ATOM 0 HA VAL A 26 2.290 8.351 16.604 1.00 25.00 H new ATOM 0 HB VAL A 26 0.890 5.737 15.992 1.00 25.00 H new ATOM 0 HG11 VAL A 26 2.686 5.327 14.316 1.00 25.00 H new ATOM 0 HG12 VAL A 26 1.672 6.721 13.877 1.00 25.00 H new ATOM 0 HG13 VAL A 26 3.287 6.981 14.576 1.00 25.00 H new ATOM 0 HG21 VAL A 26 3.111 4.751 16.637 1.00 25.00 H new ATOM 0 HG22 VAL A 26 3.713 6.387 16.995 1.00 25.00 H new ATOM 0 HG23 VAL A 26 2.396 5.691 17.968 1.00 25.00 H new ATOM 462 N LYS A 27 1.000 9.320 14.578 1.00 25.00 N ATOM 463 CA LYS A 27 0.196 9.950 13.528 1.00 25.00 C ATOM 464 C LYS A 27 -0.226 8.852 12.559 1.00 25.00 C ATOM 465 O LYS A 27 0.570 8.011 12.206 1.00 25.00 O ATOM 466 CB LYS A 27 1.006 11.032 12.798 1.00 25.00 C ATOM 467 CG LYS A 27 0.192 11.835 11.776 1.00 25.00 C ATOM 468 CD LYS A 27 1.044 12.899 11.087 1.00 25.00 C ATOM 469 CE LYS A 27 0.208 13.707 10.087 1.00 25.00 C ATOM 470 NZ LYS A 27 1.025 14.769 9.394 1.00 25.00 N ATOM 0 H LYS A 27 1.975 9.617 14.607 1.00 25.00 H new ATOM 0 HA LYS A 27 -0.678 10.438 13.959 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.424 11.718 13.535 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.847 10.561 12.289 1.00 25.00 H new ATOM 0 HG2 LYS A 27 -0.221 11.159 11.028 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -0.651 12.311 12.276 1.00 25.00 H new ATOM 0 HD2 LYS A 27 1.471 13.568 11.834 1.00 25.00 H new ATOM 0 HD3 LYS A 27 1.878 12.424 10.570 1.00 25.00 H new ATOM 0 HE2 LYS A 27 -0.217 13.034 9.343 1.00 25.00 H new ATOM 0 HE3 LYS A 27 -0.627 14.175 10.608 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 0.422 15.291 8.727 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 1.410 15.427 10.101 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 1.808 14.322 8.875 1.00 25.00 H new ATOM 484 N PHE A 28 -1.467 8.890 12.111 1.00 25.00 N ATOM 485 CA PHE A 28 -2.006 7.891 11.182 1.00 25.00 C ATOM 486 C PHE A 28 -1.111 7.609 9.983 1.00 25.00 C ATOM 487 O PHE A 28 -0.780 6.463 9.714 1.00 25.00 O ATOM 488 CB PHE A 28 -3.354 8.425 10.680 1.00 25.00 C ATOM 489 CG PHE A 28 -4.454 7.423 10.692 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.560 6.467 9.673 1.00 25.00 C ATOM 491 CD2 PHE A 28 -5.423 7.453 11.708 1.00 25.00 C ATOM 492 CE1 PHE A 28 -5.621 5.543 9.666 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.488 6.543 11.708 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.591 5.589 10.680 1.00 25.00 C ATOM 0 H PHE A 28 -2.137 9.612 12.376 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.092 6.947 11.720 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.647 9.275 11.296 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -3.228 8.796 9.663 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -3.821 6.439 8.886 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -5.346 8.186 12.498 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -5.689 4.801 8.884 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -7.227 6.574 12.495 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.416 4.892 10.670 1.00 25.00 H new ATOM 504 N ALA A 29 -0.689 8.655 9.286 1.00 25.00 N ATOM 505 CA ALA A 29 0.166 8.495 8.113 1.00 25.00 C ATOM 506 C ALA A 29 1.502 7.841 8.484 1.00 25.00 C ATOM 507 O ALA A 29 2.106 7.151 7.681 1.00 25.00 O ATOM 508 CB ALA A 29 0.405 9.861 7.459 1.00 25.00 C ATOM 0 H ALA A 29 -0.923 9.622 9.510 1.00 25.00 H new ATOM 0 HA ALA A 29 -0.340 7.838 7.405 1.00 25.00 H new ATOM 0 HB1 ALA A 29 1.043 9.739 6.584 1.00 25.00 H new ATOM 0 HB2 ALA A 29 -0.549 10.291 7.155 1.00 25.00 H new ATOM 0 HB3 ALA A 29 0.891 10.526 8.173 1.00 25.00 H new ATOM 514 N ASP A 30 1.946 8.058 9.713 1.00 25.00 N ATOM 515 CA ASP A 30 3.211 7.499 10.179 1.00 25.00 C ATOM 516 C ASP A 30 3.058 6.036 10.595 1.00 25.00 C ATOM 517 O ASP A 30 4.030 5.300 10.610 1.00 25.00 O ATOM 518 CB ASP A 30 3.760 8.320 11.343 1.00 25.00 C ATOM 519 CG ASP A 30 5.270 8.275 11.408 1.00 25.00 C ATOM 520 OD1 ASP A 30 5.909 8.853 10.500 1.00 25.00 O ATOM 521 OD2 ASP A 30 5.833 7.650 12.326 1.00 25.00 O ATOM 0 H ASP A 30 1.451 8.617 10.408 1.00 25.00 H new ATOM 0 HA ASP A 30 3.916 7.541 9.349 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.433 9.355 11.243 1.00 25.00 H new ATOM 0 HB3 ASP A 30 3.346 7.944 12.279 1.00 25.00 H new ATOM 526 N LEU A 31 1.832 5.595 10.865 1.00 25.00 N ATOM 527 CA LEU A 31 1.593 4.174 11.122 1.00 25.00 C ATOM 528 C LEU A 31 1.543 3.469 9.781 1.00 25.00 C ATOM 529 O LEU A 31 2.279 2.520 9.528 1.00 25.00 O ATOM 530 CB LEU A 31 0.296 3.929 11.898 1.00 25.00 C ATOM 531 CG LEU A 31 0.423 2.707 12.843 1.00 25.00 C ATOM 532 CD1 LEU A 31 -0.770 2.603 13.754 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.584 1.378 12.099 1.00 25.00 C ATOM 0 H LEU A 31 1.002 6.186 10.912 1.00 25.00 H new ATOM 0 HA LEU A 31 2.399 3.785 11.744 1.00 25.00 H new ATOM 0 HB2 LEU A 31 0.046 4.816 12.480 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.523 3.765 11.198 1.00 25.00 H new ATOM 0 HG LEU A 31 1.331 2.882 13.421 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -0.655 1.737 14.406 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -0.845 3.506 14.359 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -1.675 2.490 13.157 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.667 0.565 12.820 1.00 25.00 H new ATOM 0 HD22 LEU A 31 -0.284 1.210 11.462 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.484 1.412 11.485 1.00 25.00 H new ATOM 545 N LEU A 32 0.709 3.995 8.897 1.00 25.00 N ATOM 546 CA LEU A 32 0.606 3.480 7.525 1.00 25.00 C ATOM 547 C LEU A 32 1.955 3.402 6.815 1.00 25.00 C ATOM 548 O LEU A 32 2.205 2.479 6.050 1.00 25.00 O ATOM 549 CB LEU A 32 -0.317 4.366 6.696 1.00 25.00 C ATOM 550 CG LEU A 32 -1.812 4.032 6.683 1.00 25.00 C ATOM 551 CD1 LEU A 32 -2.109 2.659 6.139 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.462 4.180 7.980 1.00 25.00 C ATOM 0 H LEU A 32 0.089 4.780 9.098 1.00 25.00 H new ATOM 0 HA LEU A 32 0.206 2.470 7.611 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.206 5.390 7.053 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.039 4.347 5.666 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.231 4.777 6.007 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -3.185 2.485 6.157 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.747 2.588 5.113 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.610 1.909 6.752 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.518 3.926 7.889 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.989 3.514 8.702 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.365 5.211 8.320 1.00 25.00 H new ATOM 564 N LYS A 33 2.841 4.335 7.129 1.00 25.00 N ATOM 565 CA LYS A 33 4.219 4.339 6.610 1.00 25.00 C ATOM 566 C LYS A 33 4.920 2.988 6.780 1.00 25.00 C ATOM 567 O LYS A 33 5.667 2.557 5.910 1.00 25.00 O ATOM 568 CB LYS A 33 5.010 5.416 7.361 1.00 25.00 C ATOM 569 CG LYS A 33 6.517 5.443 7.100 1.00 25.00 C ATOM 570 CD LYS A 33 7.217 6.457 8.011 1.00 25.00 C ATOM 571 CE LYS A 33 7.347 5.918 9.442 1.00 25.00 C ATOM 572 NZ LYS A 33 7.963 6.916 10.372 1.00 25.00 N ATOM 0 H LYS A 33 2.634 5.116 7.751 1.00 25.00 H new ATOM 0 HA LYS A 33 4.176 4.543 5.540 1.00 25.00 H new ATOM 0 HB2 LYS A 33 4.598 6.391 7.099 1.00 25.00 H new ATOM 0 HB3 LYS A 33 4.849 5.279 8.430 1.00 25.00 H new ATOM 0 HG2 LYS A 33 6.936 4.450 7.266 1.00 25.00 H new ATOM 0 HG3 LYS A 33 6.704 5.697 6.057 1.00 25.00 H new ATOM 0 HD2 LYS A 33 8.206 6.685 7.614 1.00 25.00 H new ATOM 0 HD3 LYS A 33 6.655 7.391 8.021 1.00 25.00 H new ATOM 0 HE2 LYS A 33 6.361 5.639 9.814 1.00 25.00 H new ATOM 0 HE3 LYS A 33 7.952 5.012 9.433 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 7.892 6.569 11.350 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 8.964 7.050 10.124 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 7.462 7.823 10.289 1.00 25.00 H new ATOM 586 N PHE A 34 4.685 2.311 7.890 1.00 25.00 N ATOM 587 CA PHE A 34 5.350 1.035 8.141 1.00 25.00 C ATOM 588 C PHE A 34 4.795 -0.088 7.273 1.00 25.00 C ATOM 589 O PHE A 34 5.512 -1.024 6.953 1.00 25.00 O ATOM 590 CB PHE A 34 5.269 0.681 9.624 1.00 25.00 C ATOM 591 CG PHE A 34 6.280 1.416 10.456 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.006 2.704 10.939 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.529 0.830 10.738 1.00 25.00 C ATOM 594 CE1 PHE A 34 6.960 3.410 11.708 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.498 1.527 11.501 1.00 25.00 C ATOM 596 CZ PHE A 34 8.211 2.822 11.987 1.00 25.00 C ATOM 0 H PHE A 34 4.048 2.614 8.626 1.00 25.00 H new ATOM 0 HA PHE A 34 6.398 1.149 7.865 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.269 0.908 9.992 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.417 -0.392 9.745 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.053 3.163 10.721 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.750 -0.161 10.369 1.00 25.00 H new ATOM 0 HE1 PHE A 34 6.731 4.397 12.081 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.454 1.070 11.711 1.00 25.00 H new ATOM 0 HZ PHE A 34 8.946 3.359 12.569 1.00 25.00 H new ATOM 606 N PHE A 35 3.559 0.035 6.810 1.00 25.00 N ATOM 607 CA PHE A 35 3.020 -0.950 5.866 1.00 25.00 C ATOM 608 C PHE A 35 3.650 -0.759 4.485 1.00 25.00 C ATOM 609 O PHE A 35 3.737 -1.690 3.690 1.00 25.00 O ATOM 610 CB PHE A 35 1.504 -0.848 5.756 1.00 25.00 C ATOM 611 CG PHE A 35 0.793 -1.066 7.055 1.00 25.00 C ATOM 612 CD1 PHE A 35 1.053 -2.202 7.842 1.00 25.00 C ATOM 613 CD2 PHE A 35 -0.146 -0.132 7.497 1.00 25.00 C ATOM 614 CE1 PHE A 35 0.375 -2.396 9.065 1.00 25.00 C ATOM 615 CE2 PHE A 35 -0.826 -0.302 8.724 1.00 25.00 C ATOM 616 CZ PHE A 35 -0.566 -1.433 9.510 1.00 25.00 C ATOM 0 H PHE A 35 2.918 0.787 7.062 1.00 25.00 H new ATOM 0 HA PHE A 35 3.268 -1.941 6.246 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.242 0.136 5.369 1.00 25.00 H new ATOM 0 HB3 PHE A 35 1.151 -1.581 5.031 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.776 -2.931 7.508 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -0.356 0.736 6.890 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.572 -3.275 9.660 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -1.542 0.436 9.054 1.00 25.00 H new ATOM 0 HZ PHE A 35 -1.080 -1.570 10.450 1.00 25.00 H new ATOM 626 N ASP A 36 4.125 0.447 4.214 1.00 25.00 N ATOM 627 CA ASP A 36 4.802 0.737 2.950 1.00 25.00 C ATOM 628 C ASP A 36 6.199 0.116 2.970 1.00 25.00 C ATOM 629 O ASP A 36 6.724 -0.307 1.950 1.00 25.00 O ATOM 630 CB ASP A 36 4.903 2.250 2.748 1.00 25.00 C ATOM 631 CG ASP A 36 4.666 2.661 1.310 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.637 2.242 0.736 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.444 3.473 0.779 1.00 25.00 O ATOM 0 H ASP A 36 4.057 1.243 4.849 1.00 25.00 H new ATOM 0 HA ASP A 36 4.230 0.311 2.126 1.00 25.00 H new ATOM 0 HB2 ASP A 36 4.176 2.748 3.389 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.890 2.590 3.062 1.00 25.00 H new ATOM 638 N PHE A 37 6.774 0.009 4.159 1.00 25.00 N ATOM 639 CA PHE A 37 8.093 -0.599 4.321 1.00 25.00 C ATOM 640 C PHE A 37 8.054 -2.101 4.020 1.00 25.00 C ATOM 641 O PHE A 37 9.002 -2.652 3.462 1.00 25.00 O ATOM 642 CB PHE A 37 8.606 -0.349 5.743 1.00 25.00 C ATOM 643 CG PHE A 37 10.039 -0.757 5.950 1.00 25.00 C ATOM 644 CD1 PHE A 37 11.083 -0.036 5.338 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.358 -1.856 6.767 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.437 -0.408 5.539 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.709 -2.238 6.976 1.00 25.00 C ATOM 648 CZ PHE A 37 12.747 -1.511 6.359 1.00 25.00 C ATOM 0 H PHE A 37 6.350 0.334 5.028 1.00 25.00 H new ATOM 0 HA PHE A 37 8.775 -0.138 3.607 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.502 0.711 5.976 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.977 -0.893 6.447 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.850 0.810 4.708 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.566 -2.416 7.241 1.00 25.00 H new ATOM 0 HE1 PHE A 37 13.229 0.153 5.065 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.941 -3.084 7.606 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.776 -1.798 6.514 1.00 25.00 H new ATOM 658 N VAL A 38 6.950 -2.766 4.342 1.00 25.00 N ATOM 659 CA VAL A 38 6.830 -4.196 4.024 1.00 25.00 C ATOM 660 C VAL A 38 6.673 -4.378 2.529 1.00 25.00 C ATOM 661 O VAL A 38 7.133 -5.359 1.978 1.00 25.00 O ATOM 662 CB VAL A 38 5.665 -4.930 4.789 1.00 25.00 C ATOM 663 CG1 VAL A 38 5.096 -4.067 5.874 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.518 -5.399 3.864 1.00 25.00 C ATOM 0 H VAL A 38 6.141 -2.357 4.811 1.00 25.00 H new ATOM 0 HA VAL A 38 7.752 -4.664 4.369 1.00 25.00 H new ATOM 0 HB VAL A 38 6.124 -5.819 5.222 1.00 25.00 H new ATOM 0 HG11 VAL A 38 4.294 -4.603 6.382 1.00 25.00 H new ATOM 0 HG12 VAL A 38 5.879 -3.820 6.591 1.00 25.00 H new ATOM 0 HG13 VAL A 38 4.700 -3.149 5.439 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.751 -5.896 4.458 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.083 -4.537 3.358 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.910 -6.095 3.123 1.00 25.00 H new ATOM 674 N LYS A 39 6.062 -3.411 1.859 1.00 25.00 N ATOM 675 CA LYS A 39 5.897 -3.501 0.409 1.00 25.00 C ATOM 676 C LYS A 39 7.274 -3.535 -0.246 1.00 25.00 C ATOM 677 O LYS A 39 7.489 -4.219 -1.239 1.00 25.00 O ATOM 678 CB LYS A 39 5.099 -2.305 -0.129 1.00 25.00 C ATOM 679 CG LYS A 39 4.783 -2.383 -1.633 1.00 25.00 C ATOM 680 CD LYS A 39 5.230 -1.113 -2.390 1.00 25.00 C ATOM 681 CE LYS A 39 6.767 -0.988 -2.561 1.00 25.00 C ATOM 682 NZ LYS A 39 7.364 -2.055 -3.445 1.00 25.00 N ATOM 0 H LYS A 39 5.677 -2.567 2.284 1.00 25.00 H new ATOM 0 HA LYS A 39 5.346 -4.411 0.173 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.163 -2.229 0.424 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.660 -1.391 0.066 1.00 25.00 H new ATOM 0 HG2 LYS A 39 5.280 -3.253 -2.062 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.711 -2.527 -1.770 1.00 25.00 H new ATOM 0 HD2 LYS A 39 4.764 -1.107 -3.375 1.00 25.00 H new ATOM 0 HD3 LYS A 39 4.862 -0.236 -1.857 1.00 25.00 H new ATOM 0 HE2 LYS A 39 6.999 -0.009 -2.980 1.00 25.00 H new ATOM 0 HE3 LYS A 39 7.239 -1.035 -1.579 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 8.277 -1.725 -3.819 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 7.510 -2.923 -2.891 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 6.717 -2.253 -4.235 1.00 25.00 H new ATOM 696 N ASP A 40 8.191 -2.765 0.316 1.00 25.00 N ATOM 697 CA ASP A 40 9.557 -2.674 -0.198 1.00 25.00 C ATOM 698 C ASP A 40 10.360 -3.939 0.136 1.00 25.00 C ATOM 699 O ASP A 40 11.012 -4.520 -0.720 1.00 25.00 O ATOM 700 CB ASP A 40 10.235 -1.439 0.422 1.00 25.00 C ATOM 701 CG ASP A 40 11.270 -0.801 -0.501 1.00 25.00 C ATOM 702 OD1 ASP A 40 11.090 -0.856 -1.735 1.00 25.00 O ATOM 703 OD2 ASP A 40 12.195 -0.135 0.017 1.00 25.00 O ATOM 0 H ASP A 40 8.016 -2.186 1.137 1.00 25.00 H new ATOM 0 HA ASP A 40 9.524 -2.580 -1.283 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.474 -0.700 0.671 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.717 -1.727 1.356 1.00 25.00 H new ATOM 708 N THR A 41 10.293 -4.367 1.392 1.00 25.00 N ATOM 709 CA THR A 41 11.073 -5.520 1.868 1.00 25.00 C ATOM 710 C THR A 41 10.553 -6.873 1.351 1.00 25.00 C ATOM 711 O THR A 41 11.325 -7.780 1.053 1.00 25.00 O ATOM 712 CB THR A 41 11.067 -5.568 3.422 1.00 25.00 C ATOM 713 OG1 THR A 41 11.332 -4.261 3.944 1.00 25.00 O ATOM 714 CG2 THR A 41 12.146 -6.502 3.954 1.00 25.00 C ATOM 0 H THR A 41 9.706 -3.936 2.106 1.00 25.00 H new ATOM 0 HA THR A 41 12.079 -5.374 1.476 1.00 25.00 H new ATOM 0 HB THR A 41 10.087 -5.929 3.734 1.00 25.00 H new ATOM 0 HG1 THR A 41 10.532 -3.703 3.851 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.114 -6.512 5.043 1.00 25.00 H new ATOM 0 HG22 THR A 41 11.973 -7.510 3.577 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.124 -6.154 3.623 1.00 25.00 H new ATOM 722 N CYS A 42 9.239 -7.012 1.271 1.00 25.00 N ATOM 723 CA CYS A 42 8.604 -8.255 0.835 1.00 25.00 C ATOM 724 C CYS A 42 7.490 -7.955 -0.178 1.00 25.00 C ATOM 725 O CYS A 42 6.309 -7.925 0.178 1.00 25.00 O ATOM 726 CB CYS A 42 8.032 -9.016 2.044 1.00 25.00 C ATOM 727 SG CYS A 42 7.674 -7.991 3.481 1.00 25.00 S ATOM 0 H CYS A 42 8.580 -6.270 1.505 1.00 25.00 H new ATOM 0 HA CYS A 42 9.356 -8.880 0.354 1.00 25.00 H new ATOM 0 HB2 CYS A 42 7.116 -9.520 1.738 1.00 25.00 H new ATOM 0 HB3 CYS A 42 8.740 -9.791 2.336 1.00 25.00 H new ATOM 0 HG CYS A 42 7.405 -6.779 3.094 1.00 25.00 H new ATOM 733 N PRO A 43 7.844 -7.774 -1.462 1.00 25.00 N ATOM 734 CA PRO A 43 6.819 -7.466 -2.471 1.00 25.00 C ATOM 735 C PRO A 43 5.938 -8.673 -2.779 1.00 25.00 C ATOM 736 O PRO A 43 4.837 -8.549 -3.301 1.00 25.00 O ATOM 737 CB PRO A 43 7.652 -7.051 -3.684 1.00 25.00 C ATOM 738 CG PRO A 43 8.909 -7.837 -3.548 1.00 25.00 C ATOM 739 CD PRO A 43 9.189 -7.864 -2.063 1.00 25.00 C ATOM 0 HA PRO A 43 6.119 -6.697 -2.145 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.138 -7.280 -4.618 1.00 25.00 H new ATOM 0 HB3 PRO A 43 7.850 -5.979 -3.684 1.00 25.00 H new ATOM 0 HG2 PRO A 43 8.791 -8.845 -3.947 1.00 25.00 H new ATOM 0 HG3 PRO A 43 9.728 -7.372 -4.097 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.701 -8.779 -1.767 1.00 25.00 H new ATOM 0 HD3 PRO A 43 9.822 -7.031 -1.758 1.00 25.00 H new ATOM 747 N TRP A 44 6.414 -9.844 -2.393 1.00 25.00 N ATOM 748 CA TRP A 44 5.664 -11.079 -2.543 1.00 25.00 C ATOM 749 C TRP A 44 4.608 -11.246 -1.447 1.00 25.00 C ATOM 750 O TRP A 44 3.758 -12.113 -1.547 1.00 25.00 O ATOM 751 CB TRP A 44 6.634 -12.255 -2.522 1.00 25.00 C ATOM 752 CG TRP A 44 7.780 -12.029 -1.587 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.732 -11.945 -0.242 1.00 25.00 C ATOM 754 CD2 TRP A 44 9.165 -11.832 -1.933 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.964 -11.730 0.299 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.878 -11.643 -0.712 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.874 -11.777 -3.149 1.00 25.00 C ATOM 758 CZ2 TRP A 44 11.264 -11.406 -0.676 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.274 -11.541 -3.119 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.951 -11.357 -1.876 1.00 25.00 C ATOM 0 H TRP A 44 7.332 -9.966 -1.966 1.00 25.00 H new ATOM 0 HA TRP A 44 5.135 -11.044 -3.495 1.00 25.00 H new ATOM 0 HB2 TRP A 44 6.100 -13.158 -2.227 1.00 25.00 H new ATOM 0 HB3 TRP A 44 7.017 -12.425 -3.528 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.825 -12.037 0.337 1.00 25.00 H new ATOM 0 HE1 TRP A 44 9.170 -11.648 1.295 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.361 -11.912 -4.090 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.778 -11.266 0.263 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.831 -11.500 -4.044 1.00 25.00 H new ATOM 0 HH2 TRP A 44 13.016 -11.177 -1.872 1.00 25.00 H new ATOM 771 N PHE A 45 4.637 -10.422 -0.405 1.00 25.00 N ATOM 772 CA PHE A 45 3.607 -10.515 0.637 1.00 25.00 C ATOM 773 C PHE A 45 2.241 -10.015 0.138 1.00 25.00 C ATOM 774 O PHE A 45 1.258 -10.753 0.227 1.00 25.00 O ATOM 775 CB PHE A 45 4.006 -9.773 1.919 1.00 25.00 C ATOM 776 CG PHE A 45 2.915 -9.758 2.956 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.617 -10.914 3.704 1.00 25.00 C ATOM 778 CD2 PHE A 45 2.152 -8.592 3.170 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.565 -10.909 4.655 1.00 25.00 C ATOM 780 CE2 PHE A 45 1.097 -8.580 4.118 1.00 25.00 C ATOM 781 CZ PHE A 45 0.803 -9.741 4.855 1.00 25.00 C ATOM 0 H PHE A 45 5.340 -9.698 -0.256 1.00 25.00 H new ATOM 0 HA PHE A 45 3.518 -11.574 0.878 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.894 -10.242 2.342 1.00 25.00 H new ATOM 0 HB3 PHE A 45 4.276 -8.747 1.669 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.196 -11.813 3.552 1.00 25.00 H new ATOM 0 HD2 PHE A 45 2.373 -7.698 2.606 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.348 -11.800 5.226 1.00 25.00 H new ATOM 0 HE2 PHE A 45 0.520 -7.680 4.274 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.004 -9.737 5.572 1.00 25.00 H new ATOM 791 N PRO A 46 2.153 -8.786 -0.430 1.00 25.00 N ATOM 792 CA PRO A 46 0.808 -8.461 -0.924 1.00 25.00 C ATOM 793 C PRO A 46 0.373 -9.318 -2.115 1.00 25.00 C ATOM 794 O PRO A 46 -0.817 -9.482 -2.362 1.00 25.00 O ATOM 795 CB PRO A 46 0.937 -6.985 -1.320 1.00 25.00 C ATOM 796 CG PRO A 46 2.350 -6.822 -1.680 1.00 25.00 C ATOM 797 CD PRO A 46 3.079 -7.657 -0.665 1.00 25.00 C ATOM 0 HA PRO A 46 0.042 -8.655 -0.174 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.284 -6.740 -2.157 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.659 -6.328 -0.496 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.546 -7.166 -2.696 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.657 -5.777 -1.633 1.00 25.00 H new ATOM 0 HD2 PRO A 46 4.043 -7.998 -1.042 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.274 -7.099 0.251 1.00 25.00 H new ATOM 805 N GLN A 47 1.338 -9.917 -2.801 1.00 25.00 N ATOM 806 CA GLN A 47 1.067 -10.809 -3.925 1.00 25.00 C ATOM 807 C GLN A 47 0.281 -12.056 -3.492 1.00 25.00 C ATOM 808 O GLN A 47 -0.445 -12.643 -4.287 1.00 25.00 O ATOM 809 CB GLN A 47 2.401 -11.226 -4.549 1.00 25.00 C ATOM 810 CG GLN A 47 2.292 -11.864 -5.922 1.00 25.00 C ATOM 811 CD GLN A 47 3.647 -12.248 -6.481 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.650 -12.244 -5.782 1.00 25.00 O ATOM 813 NE2 GLN A 47 3.681 -12.592 -7.740 1.00 25.00 N ATOM 0 H GLN A 47 2.330 -9.799 -2.596 1.00 25.00 H new ATOM 0 HA GLN A 47 0.452 -10.276 -4.650 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.042 -10.347 -4.622 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.897 -11.927 -3.877 1.00 25.00 H new ATOM 0 HG2 GLN A 47 1.661 -12.751 -5.860 1.00 25.00 H new ATOM 0 HG3 GLN A 47 1.801 -11.171 -6.605 1.00 25.00 H new ATOM 0 HE21 GLN A 47 2.825 -12.584 -8.294 1.00 25.00 H new ATOM 0 HE22 GLN A 47 4.564 -12.869 -8.169 1.00 25.00 H new ATOM 822 N GLU A 48 0.390 -12.442 -2.223 1.00 25.00 N ATOM 823 CA GLU A 48 -0.357 -13.599 -1.717 1.00 25.00 C ATOM 824 C GLU A 48 -1.854 -13.291 -1.611 1.00 25.00 C ATOM 825 O GLU A 48 -2.678 -14.202 -1.510 1.00 25.00 O ATOM 826 CB GLU A 48 0.172 -14.041 -0.346 1.00 25.00 C ATOM 827 CG GLU A 48 1.644 -14.440 -0.362 1.00 25.00 C ATOM 828 CD GLU A 48 1.986 -15.461 0.711 1.00 25.00 C ATOM 829 OE1 GLU A 48 1.839 -15.167 1.917 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.367 -16.594 0.350 1.00 25.00 O ATOM 0 H GLU A 48 0.980 -11.980 -1.531 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.214 -14.410 -2.431 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.031 -13.229 0.368 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.421 -14.884 0.009 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.895 -14.849 -1.341 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.259 -13.551 -0.221 1.00 25.00 H new ATOM 837 N GLY A 49 -2.198 -12.007 -1.642 1.00 25.00 N ATOM 838 CA GLY A 49 -3.591 -11.581 -1.661 1.00 25.00 C ATOM 839 C GLY A 49 -4.428 -11.975 -0.458 1.00 25.00 C ATOM 840 O GLY A 49 -5.656 -11.936 -0.523 1.00 25.00 O ATOM 0 H GLY A 49 -1.525 -11.240 -1.655 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -3.616 -10.495 -1.755 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -4.062 -11.990 -2.555 1.00 25.00 H new ATOM 844 N THR A 50 -3.775 -12.400 0.612 1.00 25.00 N ATOM 845 CA THR A 50 -4.456 -12.944 1.784 1.00 25.00 C ATOM 846 C THR A 50 -3.800 -12.401 3.048 1.00 25.00 C ATOM 847 O THR A 50 -2.573 -12.314 3.119 1.00 25.00 O ATOM 848 CB THR A 50 -4.328 -14.481 1.788 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.790 -15.012 0.545 1.00 25.00 O ATOM 850 CG2 THR A 50 -5.129 -15.123 2.917 1.00 25.00 C ATOM 0 H THR A 50 -2.759 -12.379 0.696 1.00 25.00 H new ATOM 0 HA THR A 50 -5.507 -12.657 1.752 1.00 25.00 H new ATOM 0 HB THR A 50 -3.273 -14.712 1.938 1.00 25.00 H new ATOM 0 HG1 THR A 50 -4.145 -14.799 -0.162 1.00 25.00 H new ATOM 0 HG21 THR A 50 -5.008 -16.206 2.879 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.769 -14.751 3.876 1.00 25.00 H new ATOM 0 HG23 THR A 50 -6.184 -14.872 2.804 1.00 25.00 H new ATOM 858 N ILE A 51 -4.599 -12.068 4.051 1.00 25.00 N ATOM 859 CA ILE A 51 -4.086 -11.559 5.316 1.00 25.00 C ATOM 860 C ILE A 51 -4.383 -12.553 6.419 1.00 25.00 C ATOM 861 O ILE A 51 -5.522 -12.787 6.818 1.00 25.00 O ATOM 862 CB ILE A 51 -4.716 -10.209 5.695 1.00 25.00 C ATOM 863 CG1 ILE A 51 -4.485 -9.160 4.604 1.00 25.00 C ATOM 864 CG2 ILE A 51 -4.165 -9.686 7.058 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.057 -8.725 4.360 1.00 25.00 C ATOM 0 H ILE A 51 -5.616 -12.142 4.013 1.00 25.00 H new ATOM 0 HA ILE A 51 -3.012 -11.416 5.196 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.788 -10.376 5.796 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -4.884 -9.551 3.668 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -5.070 -8.275 4.855 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.631 -8.730 7.296 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.393 -10.407 7.843 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -3.085 -9.556 6.988 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.034 -7.981 3.564 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -2.647 -8.292 5.273 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -2.459 -9.588 4.067 1.00 25.00 H new ATOM 877 N ASP A 52 -3.315 -13.112 6.939 1.00 25.00 N ATOM 878 CA ASP A 52 -3.395 -14.031 8.064 1.00 25.00 C ATOM 879 C ASP A 52 -2.101 -13.940 8.819 1.00 25.00 C ATOM 880 O ASP A 52 -1.081 -13.527 8.268 1.00 25.00 O ATOM 881 CB ASP A 52 -3.589 -15.473 7.622 1.00 25.00 C ATOM 882 CG ASP A 52 -3.804 -16.399 8.795 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.588 -16.047 9.700 1.00 25.00 O ATOM 884 OD2 ASP A 52 -3.051 -17.385 8.909 1.00 25.00 O ATOM 0 H ASP A 52 -2.367 -12.947 6.600 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.254 -13.752 8.674 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.445 -15.534 6.950 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.716 -15.800 7.057 1.00 25.00 H new ATOM 889 N ILE A 53 -2.127 -14.338 10.075 1.00 25.00 N ATOM 890 CA ILE A 53 -0.956 -14.233 10.913 1.00 25.00 C ATOM 891 C ILE A 53 0.157 -15.143 10.420 1.00 25.00 C ATOM 892 O ILE A 53 1.320 -14.807 10.552 1.00 25.00 O ATOM 893 CB ILE A 53 -1.326 -14.520 12.387 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.202 -14.075 13.334 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.595 -16.011 12.637 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.145 -12.618 13.293 1.00 25.00 C ATOM 0 H ILE A 53 -2.946 -14.736 10.535 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.577 -13.212 10.856 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.236 -13.953 12.585 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.488 -14.333 14.354 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.694 -14.650 13.099 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -1.851 -16.164 13.685 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.423 -16.342 12.010 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.703 -16.588 12.394 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.949 -12.416 14.000 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.469 -12.349 12.288 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.731 -12.028 13.561 1.00 25.00 H new ATOM 908 N LYS A 54 -0.187 -16.265 9.795 1.00 25.00 N ATOM 909 CA LYS A 54 0.828 -17.196 9.292 1.00 25.00 C ATOM 910 C LYS A 54 1.619 -16.547 8.164 1.00 25.00 C ATOM 911 O LYS A 54 2.810 -16.779 8.022 1.00 25.00 O ATOM 912 CB LYS A 54 0.165 -18.483 8.793 1.00 25.00 C ATOM 913 CG LYS A 54 -0.578 -19.250 9.894 1.00 25.00 C ATOM 914 CD LYS A 54 -1.607 -20.208 9.304 1.00 25.00 C ATOM 915 CE LYS A 54 -2.734 -20.455 10.306 1.00 25.00 C ATOM 916 NZ LYS A 54 -3.951 -21.018 9.631 1.00 25.00 N ATOM 0 H LYS A 54 -1.150 -16.553 9.624 1.00 25.00 H new ATOM 0 HA LYS A 54 1.509 -17.444 10.106 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.536 -18.237 7.995 1.00 25.00 H new ATOM 0 HB3 LYS A 54 0.927 -19.131 8.359 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.138 -19.808 10.498 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.075 -18.544 10.560 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -2.015 -19.793 8.382 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -1.128 -21.152 9.044 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -2.392 -21.144 11.078 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -2.992 -19.520 10.804 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -4.698 -21.175 10.337 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -4.290 -20.348 8.911 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -3.709 -21.922 9.177 1.00 25.00 H new ATOM 930 N ARG A 55 0.960 -15.700 7.387 1.00 25.00 N ATOM 931 CA ARG A 55 1.629 -14.991 6.298 1.00 25.00 C ATOM 932 C ARG A 55 2.366 -13.780 6.854 1.00 25.00 C ATOM 933 O ARG A 55 3.448 -13.442 6.404 1.00 25.00 O ATOM 934 CB ARG A 55 0.605 -14.572 5.243 1.00 25.00 C ATOM 935 CG ARG A 55 -0.140 -15.762 4.647 1.00 25.00 C ATOM 936 CD ARG A 55 -1.085 -15.315 3.557 1.00 25.00 C ATOM 937 NE ARG A 55 -1.891 -16.426 3.020 1.00 25.00 N ATOM 938 CZ ARG A 55 -1.506 -17.271 2.068 1.00 25.00 C ATOM 939 NH1 ARG A 55 -0.311 -17.248 1.548 1.00 25.00 N ATOM 940 NH2 ARG A 55 -2.354 -18.159 1.630 1.00 25.00 N ATOM 0 H ARG A 55 -0.032 -15.485 7.487 1.00 25.00 H new ATOM 0 HA ARG A 55 2.356 -15.651 5.824 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.113 -13.885 5.691 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.111 -14.028 4.446 1.00 25.00 H new ATOM 0 HG2 ARG A 55 0.575 -16.478 4.243 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -0.698 -16.276 5.430 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -1.749 -14.545 3.949 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -0.513 -14.861 2.748 1.00 25.00 H new ATOM 0 HE ARG A 55 -2.823 -16.558 3.412 1.00 25.00 H new ATOM 0 HH11 ARG A 55 0.372 -16.562 1.870 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -0.059 -17.916 0.819 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -3.297 -18.198 2.017 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -2.075 -18.814 0.900 1.00 25.00 H new ATOM 954 N TRP A 56 1.801 -13.171 7.885 1.00 25.00 N ATOM 955 CA TRP A 56 2.429 -12.032 8.559 1.00 25.00 C ATOM 956 C TRP A 56 3.752 -12.425 9.221 1.00 25.00 C ATOM 957 O TRP A 56 4.643 -11.591 9.347 1.00 25.00 O ATOM 958 CB TRP A 56 1.467 -11.465 9.602 1.00 25.00 C ATOM 959 CG TRP A 56 1.853 -10.104 10.144 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.228 -9.797 11.412 1.00 25.00 C ATOM 961 CD2 TRP A 56 1.885 -8.850 9.427 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.480 -8.461 11.558 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.285 -7.842 10.356 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.618 -8.475 8.096 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.433 -6.489 9.986 1.00 25.00 C ATOM 966 CZ3 TRP A 56 1.765 -7.113 7.718 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.172 -6.135 8.674 1.00 25.00 C ATOM 0 H TRP A 56 0.901 -13.445 8.280 1.00 25.00 H new ATOM 0 HA TRP A 56 2.651 -11.273 7.809 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.473 -11.397 9.161 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.399 -12.166 10.434 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.317 -10.520 12.209 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.767 -8.002 12.423 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.306 -9.213 7.372 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 2.742 -5.748 10.708 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 1.567 -6.816 6.699 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.278 -5.104 8.369 1.00 25.00 H new ATOM 978 N ARG A 57 3.907 -13.697 9.594 1.00 25.00 N ATOM 979 CA ARG A 57 5.186 -14.178 10.163 1.00 25.00 C ATOM 980 C ARG A 57 6.318 -13.855 9.192 1.00 25.00 C ATOM 981 O ARG A 57 7.335 -13.298 9.579 1.00 25.00 O ATOM 982 CB ARG A 57 5.216 -15.704 10.413 1.00 25.00 C ATOM 983 CG ARG A 57 4.042 -16.336 11.177 1.00 25.00 C ATOM 984 CD ARG A 57 3.722 -15.694 12.523 1.00 25.00 C ATOM 985 NE ARG A 57 2.808 -16.539 13.321 1.00 25.00 N ATOM 986 CZ ARG A 57 2.262 -16.197 14.486 1.00 25.00 C ATOM 987 NH1 ARG A 57 2.526 -15.057 15.075 1.00 25.00 N ATOM 988 NH2 ARG A 57 1.418 -17.008 15.062 1.00 25.00 N ATOM 0 H ARG A 57 3.181 -14.409 9.518 1.00 25.00 H new ATOM 0 HA ARG A 57 5.301 -13.675 11.123 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.289 -16.199 9.445 1.00 25.00 H new ATOM 0 HB3 ARG A 57 6.131 -15.935 10.958 1.00 25.00 H new ATOM 0 HG2 ARG A 57 3.153 -16.288 10.549 1.00 25.00 H new ATOM 0 HG3 ARG A 57 4.261 -17.391 11.339 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.646 -15.530 13.078 1.00 25.00 H new ATOM 0 HD3 ARG A 57 3.268 -14.716 12.362 1.00 25.00 H new ATOM 0 HE ARG A 57 2.577 -17.460 12.948 1.00 25.00 H new ATOM 0 HH11 ARG A 57 3.170 -14.396 14.641 1.00 25.00 H new ATOM 0 HH12 ARG A 57 2.088 -14.831 15.968 1.00 25.00 H new ATOM 0 HH21 ARG A 57 1.181 -17.896 14.620 1.00 25.00 H new ATOM 0 HH22 ARG A 57 0.995 -16.754 15.955 1.00 25.00 H new ATOM 1002 N ARG A 58 6.087 -14.160 7.919 1.00 25.00 N ATOM 1003 CA ARG A 58 7.084 -13.964 6.854 1.00 25.00 C ATOM 1004 C ARG A 58 7.565 -12.532 6.731 1.00 25.00 C ATOM 1005 O ARG A 58 8.680 -12.289 6.311 1.00 25.00 O ATOM 1006 CB ARG A 58 6.513 -14.380 5.498 1.00 25.00 C ATOM 1007 CG ARG A 58 6.068 -15.834 5.419 1.00 25.00 C ATOM 1008 CD ARG A 58 5.507 -16.141 4.037 1.00 25.00 C ATOM 1009 NE ARG A 58 6.543 -16.038 2.992 1.00 25.00 N ATOM 1010 CZ ARG A 58 6.317 -16.064 1.681 1.00 25.00 C ATOM 1011 NH1 ARG A 58 5.119 -16.190 1.178 1.00 25.00 N ATOM 1012 NH2 ARG A 58 7.325 -15.954 0.862 1.00 25.00 N ATOM 0 H ARG A 58 5.205 -14.551 7.589 1.00 25.00 H new ATOM 0 HA ARG A 58 7.932 -14.588 7.137 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.662 -13.740 5.264 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.266 -14.202 4.731 1.00 25.00 H new ATOM 0 HG2 ARG A 58 6.911 -16.491 5.631 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.311 -16.032 6.178 1.00 25.00 H new ATOM 0 HD2 ARG A 58 5.083 -17.145 4.031 1.00 25.00 H new ATOM 0 HD3 ARG A 58 4.694 -15.450 3.813 1.00 25.00 H new ATOM 0 HE ARG A 58 7.511 -15.939 3.299 1.00 25.00 H new ATOM 0 HH11 ARG A 58 4.312 -16.273 1.797 1.00 25.00 H new ATOM 0 HH12 ARG A 58 4.990 -16.205 0.166 1.00 25.00 H new ATOM 0 HH21 ARG A 58 8.271 -15.850 1.229 1.00 25.00 H new ATOM 0 HH22 ARG A 58 7.168 -15.972 -0.146 1.00 25.00 H new ATOM 1026 N VAL A 59 6.717 -11.581 7.078 1.00 25.00 N ATOM 1027 CA VAL A 59 7.078 -10.170 6.988 1.00 25.00 C ATOM 1028 C VAL A 59 8.132 -9.855 8.039 1.00 25.00 C ATOM 1029 O VAL A 59 9.100 -9.144 7.786 1.00 25.00 O ATOM 1030 CB VAL A 59 5.836 -9.277 7.216 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.198 -7.813 7.122 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.767 -9.622 6.198 1.00 25.00 C ATOM 0 H VAL A 59 5.774 -11.755 7.425 1.00 25.00 H new ATOM 0 HA VAL A 59 7.474 -9.968 5.993 1.00 25.00 H new ATOM 0 HB VAL A 59 5.452 -9.464 8.219 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.307 -7.207 7.286 1.00 25.00 H new ATOM 0 HG12 VAL A 59 6.945 -7.573 7.879 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.604 -7.601 6.133 1.00 25.00 H new ATOM 0 HG21 VAL A 59 3.893 -8.992 6.361 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.154 -9.454 5.193 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.485 -10.669 6.308 1.00 25.00 H new ATOM 1042 N GLY A 60 7.955 -10.430 9.216 1.00 25.00 N ATOM 1043 CA GLY A 60 8.904 -10.226 10.289 1.00 25.00 C ATOM 1044 C GLY A 60 10.188 -10.975 10.010 1.00 25.00 C ATOM 1045 O GLY A 60 11.276 -10.477 10.287 1.00 25.00 O ATOM 0 H GLY A 60 7.169 -11.037 9.449 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.113 -9.162 10.400 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.475 -10.566 11.231 1.00 25.00 H new ATOM 1049 N ASP A 61 10.060 -12.148 9.404 1.00 25.00 N ATOM 1050 CA ASP A 61 11.220 -12.955 9.018 1.00 25.00 C ATOM 1051 C ASP A 61 12.041 -12.179 7.983 1.00 25.00 C ATOM 1052 O ASP A 61 13.265 -12.173 8.016 1.00 25.00 O ATOM 1053 CB ASP A 61 10.774 -14.297 8.415 1.00 25.00 C ATOM 1054 CG ASP A 61 9.959 -15.146 9.388 1.00 25.00 C ATOM 1055 OD1 ASP A 61 10.261 -15.146 10.600 1.00 25.00 O ATOM 1056 OD2 ASP A 61 8.996 -15.810 8.930 1.00 25.00 O ATOM 0 H ASP A 61 9.161 -12.567 9.166 1.00 25.00 H new ATOM 0 HA ASP A 61 11.822 -13.158 9.904 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.180 -14.108 7.521 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.654 -14.858 8.101 1.00 25.00 H new ATOM 1061 N CYS A 62 11.347 -11.478 7.095 1.00 25.00 N ATOM 1062 CA CYS A 62 11.990 -10.645 6.079 1.00 25.00 C ATOM 1063 C CYS A 62 12.792 -9.516 6.717 1.00 25.00 C ATOM 1064 O CYS A 62 13.923 -9.240 6.317 1.00 25.00 O ATOM 1065 CB CYS A 62 10.926 -10.033 5.163 1.00 25.00 C ATOM 1066 SG CYS A 62 11.056 -10.550 3.441 1.00 25.00 S ATOM 0 H CYS A 62 10.328 -11.469 7.056 1.00 25.00 H new ATOM 0 HA CYS A 62 12.666 -11.279 5.506 1.00 25.00 H new ATOM 0 HB2 CYS A 62 9.939 -10.302 5.539 1.00 25.00 H new ATOM 0 HB3 CYS A 62 11.000 -8.947 5.212 1.00 25.00 H new ATOM 0 HG CYS A 62 11.144 -9.501 2.678 1.00 25.00 H new ATOM 1072 N PHE A 63 12.213 -8.858 7.714 1.00 25.00 N ATOM 1073 CA PHE A 63 12.919 -7.772 8.387 1.00 25.00 C ATOM 1074 C PHE A 63 14.132 -8.326 9.107 1.00 25.00 C ATOM 1075 O PHE A 63 15.166 -7.685 9.139 1.00 25.00 O ATOM 1076 CB PHE A 63 12.038 -7.064 9.419 1.00 25.00 C ATOM 1077 CG PHE A 63 10.809 -6.404 8.845 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.831 -5.785 7.575 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.616 -6.373 9.594 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.673 -5.160 7.055 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.460 -5.735 9.088 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.490 -5.132 7.814 1.00 25.00 C ATOM 0 H PHE A 63 11.277 -9.050 8.070 1.00 25.00 H new ATOM 0 HA PHE A 63 13.207 -7.052 7.621 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.728 -7.789 10.171 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.635 -6.309 9.931 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.742 -5.789 6.995 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.584 -6.842 10.566 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.698 -4.705 6.076 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.555 -5.710 9.677 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.607 -4.650 7.422 1.00 25.00 H new ATOM 1092 N GLN A 64 13.999 -9.509 9.691 1.00 25.00 N ATOM 1093 CA GLN A 64 15.095 -10.133 10.428 1.00 25.00 C ATOM 1094 C GLN A 64 16.252 -10.453 9.501 1.00 25.00 C ATOM 1095 O GLN A 64 17.408 -10.225 9.842 1.00 25.00 O ATOM 1096 CB GLN A 64 14.609 -11.427 11.082 1.00 25.00 C ATOM 1097 CG GLN A 64 15.688 -12.181 11.853 1.00 25.00 C ATOM 1098 CD GLN A 64 15.155 -13.457 12.466 1.00 25.00 C ATOM 1099 OE1 GLN A 64 14.929 -13.534 13.662 1.00 25.00 O ATOM 1100 NE2 GLN A 64 14.942 -14.455 11.648 1.00 25.00 N ATOM 0 H GLN A 64 13.141 -10.059 9.670 1.00 25.00 H new ATOM 0 HA GLN A 64 15.434 -9.433 11.192 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.790 -11.192 11.761 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.205 -12.082 10.310 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.515 -12.418 11.183 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.088 -11.540 12.639 1.00 25.00 H new ATOM 0 HE21 GLN A 64 15.144 -14.351 10.654 1.00 25.00 H new ATOM 0 HE22 GLN A 64 14.574 -15.337 12.004 1.00 25.00 H new ATOM 1109 N ASP A 65 15.944 -10.992 8.334 1.00 25.00 N ATOM 1110 CA ASP A 65 16.978 -11.384 7.388 1.00 25.00 C ATOM 1111 C ASP A 65 17.759 -10.157 6.948 1.00 25.00 C ATOM 1112 O ASP A 65 18.984 -10.114 7.012 1.00 25.00 O ATOM 1113 CB ASP A 65 16.340 -12.059 6.179 1.00 25.00 C ATOM 1114 CG ASP A 65 17.348 -12.823 5.341 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.469 -13.072 5.833 1.00 25.00 O ATOM 1116 OD2 ASP A 65 17.002 -13.214 4.206 1.00 25.00 O ATOM 0 H ASP A 65 14.990 -11.168 8.018 1.00 25.00 H new ATOM 0 HA ASP A 65 17.660 -12.087 7.867 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.561 -12.742 6.517 1.00 25.00 H new ATOM 0 HB3 ASP A 65 15.855 -11.305 5.560 1.00 25.00 H new ATOM 1121 N TYR A 66 17.038 -9.115 6.573 1.00 25.00 N ATOM 1122 CA TYR A 66 17.685 -7.883 6.144 1.00 25.00 C ATOM 1123 C TYR A 66 18.435 -7.226 7.309 1.00 25.00 C ATOM 1124 O TYR A 66 19.495 -6.631 7.122 1.00 25.00 O ATOM 1125 CB TYR A 66 16.649 -6.925 5.560 1.00 25.00 C ATOM 1126 CG TYR A 66 17.105 -6.246 4.281 1.00 25.00 C ATOM 1127 CD1 TYR A 66 18.374 -5.632 4.187 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.270 -6.227 3.144 1.00 25.00 C ATOM 1129 CE1 TYR A 66 18.797 -5.014 2.984 1.00 25.00 C ATOM 1130 CE2 TYR A 66 16.690 -5.598 1.941 1.00 25.00 C ATOM 1131 CZ TYR A 66 17.949 -4.998 1.875 1.00 25.00 C ATOM 1132 OH TYR A 66 18.353 -4.379 0.718 1.00 25.00 O ATOM 0 H TYR A 66 16.018 -9.094 6.556 1.00 25.00 H new ATOM 0 HA TYR A 66 18.414 -8.124 5.371 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.729 -7.474 5.362 1.00 25.00 H new ATOM 0 HB3 TYR A 66 16.412 -6.163 6.302 1.00 25.00 H new ATOM 0 HD1 TYR A 66 19.031 -5.634 5.044 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.299 -6.697 3.189 1.00 25.00 H new ATOM 0 HE1 TYR A 66 19.773 -4.556 2.925 1.00 25.00 H new ATOM 0 HE2 TYR A 66 16.037 -5.584 1.081 1.00 25.00 H new ATOM 0 HH TYR A 66 17.648 -4.458 0.041 1.00 25.00 H new ATOM 1142 N PHE A 67 17.913 -7.364 8.520 1.00 25.00 N ATOM 1143 CA PHE A 67 18.574 -6.801 9.704 1.00 25.00 C ATOM 1144 C PHE A 67 19.887 -7.528 9.993 1.00 25.00 C ATOM 1145 O PHE A 67 20.858 -6.909 10.399 1.00 25.00 O ATOM 1146 CB PHE A 67 17.648 -6.900 10.921 1.00 25.00 C ATOM 1147 CG PHE A 67 18.175 -6.214 12.152 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.053 -6.881 13.028 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.778 -4.900 12.456 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.539 -6.239 14.192 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.245 -4.253 13.620 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.133 -4.921 14.489 1.00 25.00 C ATOM 0 H PHE A 67 17.041 -7.856 8.715 1.00 25.00 H new ATOM 0 HA PHE A 67 18.796 -5.753 9.503 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.681 -6.469 10.664 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.477 -7.952 11.149 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.359 -7.893 12.809 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.107 -4.379 11.790 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.219 -6.757 14.852 1.00 25.00 H new ATOM 0 HE2 PHE A 67 17.923 -3.247 13.845 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.500 -4.426 15.376 1.00 25.00 H new ATOM 1162 N ASN A 68 19.932 -8.833 9.779 1.00 25.00 N ATOM 1163 CA ASN A 68 21.164 -9.585 10.025 1.00 25.00 C ATOM 1164 C ASN A 68 22.179 -9.297 8.917 1.00 25.00 C ATOM 1165 O ASN A 68 23.370 -9.175 9.170 1.00 25.00 O ATOM 1166 CB ASN A 68 20.859 -11.090 10.162 1.00 25.00 C ATOM 1167 CG ASN A 68 21.440 -11.926 9.039 1.00 25.00 C ATOM 1168 OD1 ASN A 68 22.604 -12.281 9.057 1.00 25.00 O ATOM 1169 ND2 ASN A 68 20.616 -12.292 8.101 1.00 25.00 N ATOM 0 H ASN A 68 19.148 -9.391 9.441 1.00 25.00 H new ATOM 0 HA ASN A 68 21.605 -9.263 10.968 1.00 25.00 H new ATOM 0 HB2 ASN A 68 21.253 -11.448 11.113 1.00 25.00 H new ATOM 0 HB3 ASN A 68 19.779 -11.233 10.190 1.00 25.00 H new ATOM 0 HD21 ASN A 68 20.939 -12.897 7.346 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.647 -11.974 8.120 1.00 25.00 H new ATOM 1176 N THR A 69 21.679 -9.127 7.705 1.00 25.00 N ATOM 1177 CA THR A 69 22.524 -8.832 6.546 1.00 25.00 C ATOM 1178 C THR A 69 23.144 -7.427 6.584 1.00 25.00 C ATOM 1179 O THR A 69 24.303 -7.246 6.220 1.00 25.00 O ATOM 1180 CB THR A 69 21.692 -8.959 5.237 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.086 -10.253 5.182 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.558 -8.811 3.995 1.00 25.00 C ATOM 0 H THR A 69 20.684 -9.188 7.491 1.00 25.00 H new ATOM 0 HA THR A 69 23.337 -9.557 6.575 1.00 25.00 H new ATOM 0 HB THR A 69 20.947 -8.164 5.252 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.331 -10.287 5.805 1.00 25.00 H new ATOM 0 HG21 THR A 69 21.937 -8.906 3.105 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.037 -7.832 4.000 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.322 -9.589 3.989 1.00 25.00 H new ATOM 1190 N PHE A 70 22.357 -6.426 6.960 1.00 25.00 N ATOM 1191 CA PHE A 70 22.786 -5.027 6.844 1.00 25.00 C ATOM 1192 C PHE A 70 22.698 -4.184 8.126 1.00 25.00 C ATOM 1193 O PHE A 70 22.943 -2.977 8.107 1.00 25.00 O ATOM 1194 CB PHE A 70 21.955 -4.378 5.748 1.00 25.00 C ATOM 1195 CG PHE A 70 22.770 -3.612 4.752 1.00 25.00 C ATOM 1196 CD1 PHE A 70 23.096 -2.261 4.971 1.00 25.00 C ATOM 1197 CD2 PHE A 70 23.229 -4.247 3.588 1.00 25.00 C ATOM 1198 CE1 PHE A 70 23.877 -1.542 4.032 1.00 25.00 C ATOM 1199 CE2 PHE A 70 24.011 -3.542 2.637 1.00 25.00 C ATOM 1200 CZ PHE A 70 24.335 -2.186 2.862 1.00 25.00 C ATOM 0 H PHE A 70 21.421 -6.550 7.347 1.00 25.00 H new ATOM 0 HA PHE A 70 23.851 -5.053 6.615 1.00 25.00 H new ATOM 0 HB2 PHE A 70 21.391 -5.151 5.226 1.00 25.00 H new ATOM 0 HB3 PHE A 70 21.228 -3.706 6.204 1.00 25.00 H new ATOM 0 HD1 PHE A 70 22.747 -1.766 5.865 1.00 25.00 H new ATOM 0 HD2 PHE A 70 22.984 -5.284 3.414 1.00 25.00 H new ATOM 0 HE1 PHE A 70 24.121 -0.505 4.211 1.00 25.00 H new ATOM 0 HE2 PHE A 70 24.357 -4.041 1.744 1.00 25.00 H new ATOM 0 HZ PHE A 70 24.930 -1.644 2.142 1.00 25.00 H new ATOM 1210 N GLY A 71 22.375 -4.812 9.243 1.00 25.00 N ATOM 1211 CA GLY A 71 22.380 -4.116 10.521 1.00 25.00 C ATOM 1212 C GLY A 71 21.212 -3.178 10.796 1.00 25.00 C ATOM 1213 O GLY A 71 20.286 -3.027 9.980 1.00 25.00 O ATOM 0 H GLY A 71 22.108 -5.795 9.293 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.410 -4.863 11.314 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.302 -3.540 10.590 1.00 25.00 H new ATOM 1217 N PRO A 72 21.238 -2.495 11.959 1.00 25.00 N ATOM 1218 CA PRO A 72 20.158 -1.584 12.359 1.00 25.00 C ATOM 1219 C PRO A 72 20.111 -0.273 11.579 1.00 25.00 C ATOM 1220 O PRO A 72 19.154 0.491 11.694 1.00 25.00 O ATOM 1221 CB PRO A 72 20.471 -1.319 13.835 1.00 25.00 C ATOM 1222 CG PRO A 72 21.940 -1.408 13.908 1.00 25.00 C ATOM 1223 CD PRO A 72 22.287 -2.560 12.997 1.00 25.00 C ATOM 0 HA PRO A 72 19.181 -2.026 12.165 1.00 25.00 H new ATOM 0 HB2 PRO A 72 20.114 -0.338 14.149 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.994 -2.054 14.483 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.412 -0.483 13.577 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.278 -1.591 14.928 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.284 -2.450 12.570 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.271 -3.512 13.527 1.00 25.00 H new ATOM 1231 N GLU A 73 21.135 -0.012 10.780 1.00 25.00 N ATOM 1232 CA GLU A 73 21.173 1.200 9.966 1.00 25.00 C ATOM 1233 C GLU A 73 20.262 1.058 8.762 1.00 25.00 C ATOM 1234 O GLU A 73 19.825 2.046 8.170 1.00 25.00 O ATOM 1235 CB GLU A 73 22.603 1.499 9.517 1.00 25.00 C ATOM 1236 CG GLU A 73 23.542 1.775 10.681 1.00 25.00 C ATOM 1237 CD GLU A 73 24.861 2.369 10.222 1.00 25.00 C ATOM 1238 OE1 GLU A 73 25.573 1.716 9.435 1.00 25.00 O ATOM 1239 OE2 GLU A 73 25.172 3.508 10.635 1.00 25.00 O ATOM 0 H GLU A 73 21.949 -0.618 10.676 1.00 25.00 H new ATOM 0 HA GLU A 73 20.819 2.033 10.573 1.00 25.00 H new ATOM 0 HB2 GLU A 73 22.983 0.654 8.943 1.00 25.00 H new ATOM 0 HB3 GLU A 73 22.596 2.361 8.850 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.061 2.459 11.380 1.00 25.00 H new ATOM 0 HG3 GLU A 73 23.731 0.848 11.221 1.00 25.00 H new ATOM 1246 N LYS A 74 19.954 -0.182 8.420 1.00 25.00 N ATOM 1247 CA LYS A 74 19.074 -0.468 7.297 1.00 25.00 C ATOM 1248 C LYS A 74 17.648 -0.682 7.749 1.00 25.00 C ATOM 1249 O LYS A 74 16.724 -0.094 7.189 1.00 25.00 O ATOM 1250 CB LYS A 74 19.582 -1.707 6.594 1.00 25.00 C ATOM 1251 CG LYS A 74 18.796 -2.098 5.344 1.00 25.00 C ATOM 1252 CD LYS A 74 19.181 -1.283 4.122 1.00 25.00 C ATOM 1253 CE LYS A 74 18.171 -1.529 3.004 1.00 25.00 C ATOM 1254 NZ LYS A 74 18.681 -1.090 1.668 1.00 25.00 N ATOM 0 H LYS A 74 20.301 -1.010 8.905 1.00 25.00 H new ATOM 0 HA LYS A 74 19.077 0.386 6.620 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.624 -1.550 6.317 1.00 25.00 H new ATOM 0 HB3 LYS A 74 19.561 -2.541 7.296 1.00 25.00 H new ATOM 0 HG2 LYS A 74 18.959 -3.155 5.135 1.00 25.00 H new ATOM 0 HG3 LYS A 74 17.731 -1.972 5.537 1.00 25.00 H new ATOM 0 HD2 LYS A 74 19.209 -0.223 4.374 1.00 25.00 H new ATOM 0 HD3 LYS A 74 20.182 -1.558 3.789 1.00 25.00 H new ATOM 0 HE2 LYS A 74 17.927 -2.591 2.966 1.00 25.00 H new ATOM 0 HE3 LYS A 74 17.247 -0.997 3.230 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 17.960 -1.278 0.942 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 18.890 -0.071 1.694 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 19.549 -1.615 1.438 1.00 25.00 H new ATOM 1268 N VAL A 75 17.458 -1.524 8.752 1.00 25.00 N ATOM 1269 CA VAL A 75 16.119 -1.762 9.276 1.00 25.00 C ATOM 1270 C VAL A 75 16.133 -1.280 10.717 1.00 25.00 C ATOM 1271 O VAL A 75 16.989 -1.684 11.498 1.00 25.00 O ATOM 1272 CB VAL A 75 15.781 -3.288 9.234 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.378 -3.565 9.793 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.880 -3.823 7.801 1.00 25.00 C ATOM 0 H VAL A 75 18.200 -2.048 9.215 1.00 25.00 H new ATOM 0 HA VAL A 75 15.368 -1.239 8.683 1.00 25.00 H new ATOM 0 HB VAL A 75 16.510 -3.802 9.860 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.174 -4.635 9.750 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.325 -3.227 10.828 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.637 -3.030 9.199 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.641 -4.887 7.792 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.176 -3.288 7.163 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.893 -3.676 7.427 1.00 25.00 H new ATOM 1284 N PRO A 76 15.143 -0.469 11.120 1.00 25.00 N ATOM 1285 CA PRO A 76 15.194 -0.071 12.526 1.00 25.00 C ATOM 1286 C PRO A 76 14.651 -1.155 13.438 1.00 25.00 C ATOM 1287 O PRO A 76 13.763 -1.910 13.056 1.00 25.00 O ATOM 1288 CB PRO A 76 14.301 1.166 12.556 1.00 25.00 C ATOM 1289 CG PRO A 76 13.287 0.914 11.499 1.00 25.00 C ATOM 1290 CD PRO A 76 14.017 0.169 10.407 1.00 25.00 C ATOM 0 HA PRO A 76 16.209 0.112 12.880 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.834 1.296 13.532 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.871 2.073 12.352 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.455 0.326 11.886 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.870 1.849 11.125 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.375 -0.570 9.927 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.367 0.843 9.625 1.00 25.00 H new ATOM 1298 N VAL A 77 15.098 -1.179 14.683 1.00 25.00 N ATOM 1299 CA VAL A 77 14.565 -2.139 15.649 1.00 25.00 C ATOM 1300 C VAL A 77 13.084 -1.854 15.935 1.00 25.00 C ATOM 1301 O VAL A 77 12.334 -2.737 16.341 1.00 25.00 O ATOM 1302 CB VAL A 77 15.386 -2.138 16.972 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.821 -2.615 16.703 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.416 -0.735 17.615 1.00 25.00 C ATOM 0 H VAL A 77 15.818 -0.556 15.050 1.00 25.00 H new ATOM 0 HA VAL A 77 14.651 -3.132 15.207 1.00 25.00 H new ATOM 0 HB VAL A 77 14.899 -2.821 17.667 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.387 -2.611 17.635 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.798 -3.626 16.297 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.298 -1.947 15.986 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.997 -0.769 18.537 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.874 -0.028 16.924 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.398 -0.416 17.840 1.00 25.00 H new ATOM 1314 N THR A 78 12.637 -0.635 15.655 1.00 25.00 N ATOM 1315 CA THR A 78 11.229 -0.294 15.850 1.00 25.00 C ATOM 1316 C THR A 78 10.353 -0.944 14.788 1.00 25.00 C ATOM 1317 O THR A 78 9.167 -1.117 15.007 1.00 25.00 O ATOM 1318 CB THR A 78 10.983 1.245 15.870 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.766 1.528 16.565 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.873 1.846 14.482 1.00 25.00 C ATOM 0 H THR A 78 13.217 0.124 15.298 1.00 25.00 H new ATOM 0 HA THR A 78 10.954 -0.686 16.829 1.00 25.00 H new ATOM 0 HB THR A 78 11.846 1.688 16.368 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.038 1.640 15.918 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.702 2.919 14.563 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.797 1.666 13.933 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.040 1.385 13.951 1.00 25.00 H new ATOM 1328 N ALA A 79 10.923 -1.352 13.658 1.00 25.00 N ATOM 1329 CA ALA A 79 10.121 -1.994 12.620 1.00 25.00 C ATOM 1330 C ALA A 79 9.529 -3.295 13.159 1.00 25.00 C ATOM 1331 O ALA A 79 8.390 -3.619 12.871 1.00 25.00 O ATOM 1332 CB ALA A 79 10.965 -2.262 11.381 1.00 25.00 C ATOM 0 H ALA A 79 11.914 -1.253 13.439 1.00 25.00 H new ATOM 0 HA ALA A 79 9.308 -1.326 12.336 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.350 -2.741 10.619 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.354 -1.320 10.995 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.796 -2.918 11.642 1.00 25.00 H new ATOM 1338 N PHE A 80 10.288 -4.004 13.981 1.00 25.00 N ATOM 1339 CA PHE A 80 9.817 -5.253 14.581 1.00 25.00 C ATOM 1340 C PHE A 80 8.744 -4.986 15.633 1.00 25.00 C ATOM 1341 O PHE A 80 7.849 -5.795 15.850 1.00 25.00 O ATOM 1342 CB PHE A 80 10.987 -5.985 15.238 1.00 25.00 C ATOM 1343 CG PHE A 80 12.094 -6.325 14.281 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.087 -7.550 13.592 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.157 -5.425 14.067 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.125 -7.879 12.697 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.197 -5.736 13.164 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.180 -6.967 12.477 1.00 25.00 C ATOM 0 H PHE A 80 11.235 -3.739 14.251 1.00 25.00 H new ATOM 0 HA PHE A 80 9.388 -5.867 13.789 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.388 -5.366 16.040 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.619 -6.903 15.697 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.277 -8.247 13.750 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.176 -4.486 14.600 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.113 -8.827 12.180 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.002 -5.034 13.000 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.972 -7.212 11.784 1.00 25.00 H new ATOM 1358 N SER A 81 8.834 -3.836 16.279 1.00 25.00 N ATOM 1359 CA SER A 81 7.873 -3.455 17.318 1.00 25.00 C ATOM 1360 C SER A 81 6.560 -3.047 16.660 1.00 25.00 C ATOM 1361 O SER A 81 5.479 -3.461 17.075 1.00 25.00 O ATOM 1362 CB SER A 81 8.423 -2.297 18.155 1.00 25.00 C ATOM 1363 OG SER A 81 7.530 -1.964 19.202 1.00 25.00 O ATOM 0 H SER A 81 9.563 -3.143 16.107 1.00 25.00 H new ATOM 0 HA SER A 81 7.702 -4.305 17.979 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.392 -2.572 18.571 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.585 -1.427 17.518 1.00 25.00 H new ATOM 0 HG SER A 81 7.901 -1.223 19.725 1.00 25.00 H new ATOM 1369 N TYR A 82 6.666 -2.294 15.578 1.00 25.00 N ATOM 1370 CA TYR A 82 5.502 -1.915 14.794 1.00 25.00 C ATOM 1371 C TYR A 82 4.872 -3.164 14.214 1.00 25.00 C ATOM 1372 O TYR A 82 3.672 -3.348 14.274 1.00 25.00 O ATOM 1373 CB TYR A 82 5.910 -0.980 13.663 1.00 25.00 C ATOM 1374 CG TYR A 82 5.737 0.470 14.019 1.00 25.00 C ATOM 1375 CD1 TYR A 82 6.761 1.196 14.671 1.00 25.00 C ATOM 1376 CD2 TYR A 82 4.534 1.129 13.715 1.00 25.00 C ATOM 1377 CE1 TYR A 82 6.582 2.561 15.001 1.00 25.00 C ATOM 1378 CE2 TYR A 82 4.354 2.502 14.040 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.384 3.202 14.677 1.00 25.00 C ATOM 1380 OH TYR A 82 5.225 4.526 14.981 1.00 25.00 O ATOM 0 H TYR A 82 7.550 -1.932 15.221 1.00 25.00 H new ATOM 0 HA TYR A 82 4.788 -1.399 15.436 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.952 -1.164 13.403 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.316 -1.206 12.778 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.689 0.704 14.920 1.00 25.00 H new ATOM 0 HD2 TYR A 82 3.737 0.587 13.229 1.00 25.00 H new ATOM 0 HE1 TYR A 82 7.369 3.105 15.502 1.00 25.00 H new ATOM 0 HE2 TYR A 82 3.428 3.001 13.796 1.00 25.00 H new ATOM 0 HH TYR A 82 4.907 5.008 14.189 1.00 25.00 H new ATOM 1390 N TRP A 83 5.700 -4.051 13.695 1.00 25.00 N ATOM 1391 CA TRP A 83 5.222 -5.298 13.125 1.00 25.00 C ATOM 1392 C TRP A 83 4.447 -6.121 14.158 1.00 25.00 C ATOM 1393 O TRP A 83 3.440 -6.761 13.840 1.00 25.00 O ATOM 1394 CB TRP A 83 6.433 -6.097 12.634 1.00 25.00 C ATOM 1395 CG TRP A 83 6.108 -7.476 12.186 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.680 -7.872 10.964 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.189 -8.682 12.972 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.469 -9.218 10.918 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.768 -9.755 12.137 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.574 -8.965 14.299 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.714 -11.085 12.589 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.530 -10.305 14.757 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.098 -11.354 13.890 1.00 25.00 C ATOM 0 H TRP A 83 6.712 -3.931 13.656 1.00 25.00 H new ATOM 0 HA TRP A 83 4.544 -5.077 12.301 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.900 -5.559 11.809 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.169 -6.151 13.436 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.525 -7.204 10.129 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.141 -9.739 10.105 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.898 -8.172 14.957 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.381 -11.878 11.936 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.826 -10.535 15.770 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.071 -12.370 14.255 1.00 25.00 H new ATOM 1414 N ASN A 84 4.905 -6.083 15.401 1.00 25.00 N ATOM 1415 CA ASN A 84 4.315 -6.847 16.480 1.00 25.00 C ATOM 1416 C ASN A 84 2.950 -6.286 16.857 1.00 25.00 C ATOM 1417 O ASN A 84 2.028 -7.037 17.163 1.00 25.00 O ATOM 1418 CB ASN A 84 5.259 -6.800 17.682 1.00 25.00 C ATOM 1419 CG ASN A 84 4.677 -7.439 18.888 1.00 25.00 C ATOM 1420 OD1 ASN A 84 4.826 -8.634 19.105 1.00 25.00 O ATOM 1421 ND2 ASN A 84 4.003 -6.666 19.676 1.00 25.00 N ATOM 0 H ASN A 84 5.703 -5.515 15.687 1.00 25.00 H new ATOM 0 HA ASN A 84 4.172 -7.879 16.159 1.00 25.00 H new ATOM 0 HB2 ASN A 84 6.193 -7.299 17.426 1.00 25.00 H new ATOM 0 HB3 ASN A 84 5.504 -5.762 17.907 1.00 25.00 H new ATOM 0 HD21 ASN A 84 3.570 -7.048 20.517 1.00 25.00 H new ATOM 0 HD22 ASN A 84 3.904 -5.675 19.456 1.00 25.00 H new ATOM 1428 N LEU A 85 2.826 -4.968 16.790 1.00 25.00 N ATOM 1429 CA LEU A 85 1.586 -4.272 17.135 1.00 25.00 C ATOM 1430 C LEU A 85 0.441 -4.762 16.259 1.00 25.00 C ATOM 1431 O LEU A 85 -0.684 -4.898 16.718 1.00 25.00 O ATOM 1432 CB LEU A 85 1.792 -2.756 16.967 1.00 25.00 C ATOM 1433 CG LEU A 85 0.636 -1.813 17.346 1.00 25.00 C ATOM 1434 CD1 LEU A 85 1.209 -0.499 17.869 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.281 -1.515 16.146 1.00 25.00 C ATOM 0 H LEU A 85 3.580 -4.347 16.495 1.00 25.00 H new ATOM 0 HA LEU A 85 1.327 -4.483 18.173 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.661 -2.471 17.561 1.00 25.00 H new ATOM 0 HB3 LEU A 85 2.044 -2.569 15.923 1.00 25.00 H new ATOM 0 HG LEU A 85 0.040 -2.309 18.112 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.393 0.172 18.139 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.824 -0.694 18.748 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.820 -0.035 17.095 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.083 -0.846 16.458 1.00 25.00 H new ATOM 0 HD22 LEU A 85 0.299 -1.041 15.354 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.709 -2.446 15.775 1.00 25.00 H new ATOM 1447 N ILE A 86 0.736 -5.049 15.001 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.276 -5.568 14.081 1.00 25.00 C ATOM 1449 C ILE A 86 -0.363 -7.093 14.182 1.00 25.00 C ATOM 1450 O ILE A 86 -1.429 -7.670 13.977 1.00 25.00 O ATOM 1451 CB ILE A 86 0.021 -5.128 12.616 1.00 25.00 C ATOM 1452 CG1 ILE A 86 -0.140 -3.602 12.486 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.957 -5.785 11.621 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.155 -2.810 12.606 1.00 25.00 C ATOM 0 H ILE A 86 1.663 -4.934 14.590 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.240 -5.149 14.368 1.00 25.00 H new ATOM 0 HB ILE A 86 1.040 -5.438 12.385 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.597 -3.380 11.522 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.833 -3.257 13.254 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.722 -5.456 10.609 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.864 -6.869 11.681 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.978 -5.494 11.869 1.00 25.00 H new ATOM 0 HD11 ILE A 86 0.942 -1.746 12.502 1.00 25.00 H new ATOM 0 HD12 ILE A 86 1.606 -2.996 13.581 1.00 25.00 H new ATOM 0 HD13 ILE A 86 1.845 -3.120 11.822 1.00 25.00 H new ATOM 1466 N LYS A 87 0.729 -7.757 14.543 1.00 25.00 N ATOM 1467 CA LYS A 87 0.716 -9.221 14.649 1.00 25.00 C ATOM 1468 C LYS A 87 -0.362 -9.682 15.627 1.00 25.00 C ATOM 1469 O LYS A 87 -1.083 -10.619 15.343 1.00 25.00 O ATOM 1470 CB LYS A 87 2.116 -9.773 15.030 1.00 25.00 C ATOM 1471 CG LYS A 87 2.220 -10.442 16.416 1.00 25.00 C ATOM 1472 CD LYS A 87 3.636 -10.841 16.768 1.00 25.00 C ATOM 1473 CE LYS A 87 3.669 -11.447 18.172 1.00 25.00 C ATOM 1474 NZ LYS A 87 5.061 -11.465 18.739 1.00 25.00 N ATOM 0 H LYS A 87 1.623 -7.319 14.765 1.00 25.00 H new ATOM 0 HA LYS A 87 0.470 -9.630 13.669 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.418 -10.498 14.274 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.833 -8.953 14.989 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.841 -9.757 17.175 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.582 -11.326 16.437 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.012 -11.562 16.042 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.291 -9.971 16.722 1.00 25.00 H new ATOM 0 HE2 LYS A 87 3.016 -10.875 18.830 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.277 -12.463 18.139 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 5.088 -12.086 19.573 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.724 -11.821 18.021 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.336 -10.501 19.016 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.511 -9.007 16.752 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.489 -9.432 17.751 1.00 25.00 C ATOM 1490 C GLU A 88 -2.912 -9.108 17.296 1.00 25.00 C ATOM 1491 O GLU A 88 -3.862 -9.790 17.672 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.157 -8.800 19.107 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.138 -7.284 19.109 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.414 -6.724 20.318 1.00 25.00 C ATOM 1495 OE1 GLU A 88 0.832 -6.712 20.318 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -1.092 -6.204 21.230 1.00 25.00 O ATOM 0 H GLU A 88 0.022 -8.173 17.000 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.436 -10.515 17.865 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.887 -9.142 19.841 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.182 -9.163 19.433 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.654 -6.927 18.200 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.161 -6.909 19.094 1.00 25.00 H new ATOM 1503 N LEU A 89 -3.051 -8.117 16.427 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.359 -7.767 15.883 1.00 25.00 C ATOM 1505 C LEU A 89 -4.821 -8.802 14.867 1.00 25.00 C ATOM 1506 O LEU A 89 -5.988 -9.164 14.852 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.330 -6.383 15.228 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.056 -5.195 16.164 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -4.065 -3.904 15.341 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.080 -5.101 17.303 1.00 25.00 C ATOM 0 H LEU A 89 -2.281 -7.543 16.084 1.00 25.00 H new ATOM 0 HA LEU A 89 -5.063 -7.748 16.715 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.567 -6.388 14.449 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -5.288 -6.217 14.735 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.081 -5.346 16.627 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.872 -3.054 15.995 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -3.291 -3.956 14.575 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -5.038 -3.782 14.866 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -4.843 -4.246 17.936 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.079 -4.977 16.885 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.047 -6.013 17.898 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.919 -9.293 14.027 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.300 -10.313 13.046 1.00 25.00 C ATOM 1524 C ILE A 90 -4.495 -11.645 13.771 1.00 25.00 C ATOM 1525 O ILE A 90 -5.412 -12.396 13.465 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.238 -10.534 11.923 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -2.891 -9.223 11.196 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.784 -11.537 10.874 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.650 -9.355 10.275 1.00 25.00 C ATOM 0 H ILE A 90 -2.939 -9.013 14.000 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.213 -9.957 12.569 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.338 -10.921 12.402 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.747 -8.906 10.601 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.709 -8.441 11.934 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.039 -11.688 10.093 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.999 -12.489 11.359 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.698 -11.140 10.432 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.454 -8.399 9.789 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.784 -9.644 10.871 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.839 -10.115 9.517 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.636 -11.930 14.741 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.702 -13.199 15.474 1.00 25.00 C ATOM 1543 C ASP A 91 -5.058 -13.342 16.166 1.00 25.00 C ATOM 1544 O ASP A 91 -5.627 -14.426 16.211 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.561 -13.272 16.499 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.336 -14.676 17.035 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -3.056 -15.083 17.966 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -1.378 -15.347 16.570 1.00 25.00 O ATOM 0 H ASP A 91 -2.887 -11.307 15.042 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.590 -14.022 14.769 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.641 -12.913 16.037 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.783 -12.603 17.330 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.607 -12.230 16.646 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.921 -12.235 17.299 1.00 25.00 C ATOM 1555 C LYS A 92 -7.983 -11.478 16.505 1.00 25.00 C ATOM 1556 O LYS A 92 -8.928 -10.936 17.076 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.793 -11.679 18.725 1.00 25.00 C ATOM 1558 CG LYS A 92 -6.003 -12.602 19.659 1.00 25.00 C ATOM 1559 CD LYS A 92 -6.832 -13.834 20.070 1.00 25.00 C ATOM 1560 CE LYS A 92 -5.963 -15.078 20.221 1.00 25.00 C ATOM 1561 NZ LYS A 92 -5.645 -15.685 18.882 1.00 25.00 N ATOM 0 H LYS A 92 -5.166 -11.312 16.597 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.261 -13.270 17.343 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -6.304 -10.705 18.687 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.789 -11.520 19.138 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -5.088 -12.927 19.163 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.704 -12.050 20.550 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -7.342 -13.631 21.012 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -7.604 -14.018 19.323 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -5.037 -14.818 20.734 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -6.477 -15.811 20.843 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -5.442 -16.698 19.000 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -6.459 -15.567 18.245 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -4.814 -15.211 18.474 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.878 -11.502 15.180 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.904 -10.880 14.317 1.00 25.00 C ATOM 1577 C LYS A 93 -10.238 -11.594 14.494 1.00 25.00 C ATOM 1578 O LYS A 93 -11.297 -11.028 14.276 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.480 -10.912 12.841 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.354 -12.320 12.227 1.00 25.00 C ATOM 1581 CD LYS A 93 -7.716 -12.243 10.845 1.00 25.00 C ATOM 1582 CE LYS A 93 -7.152 -13.591 10.380 1.00 25.00 C ATOM 1583 NZ LYS A 93 -8.214 -14.622 10.146 1.00 25.00 N ATOM 0 H LYS A 93 -7.106 -11.938 14.675 1.00 25.00 H new ATOM 0 HA LYS A 93 -9.012 -9.837 14.616 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.204 -10.342 12.259 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.521 -10.403 12.743 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.752 -12.955 12.877 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.339 -12.781 12.154 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.457 -11.896 10.125 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -6.915 -11.504 10.859 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -6.587 -13.444 9.459 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -6.451 -13.963 11.128 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -7.773 -15.510 9.834 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -8.738 -14.787 11.029 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -8.870 -14.285 9.412 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.144 -12.839 14.932 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.283 -13.720 15.177 1.00 25.00 C ATOM 1599 C GLU A 94 -12.250 -13.217 16.259 1.00 25.00 C ATOM 1600 O GLU A 94 -13.419 -13.577 16.252 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.726 -15.099 15.567 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.739 -15.053 16.758 1.00 25.00 C ATOM 1603 CD GLU A 94 -9.020 -16.372 17.005 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.100 -17.287 16.158 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.303 -16.456 18.034 1.00 25.00 O ATOM 0 H GLU A 94 -9.247 -13.281 15.134 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.876 -13.759 14.263 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.556 -15.759 15.819 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.222 -15.535 14.705 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.999 -14.274 16.576 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -10.283 -14.771 17.659 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.769 -12.379 17.170 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.610 -11.839 18.250 1.00 25.00 C ATOM 1614 C VAL A 95 -12.591 -10.314 18.238 1.00 25.00 C ATOM 1615 O VAL A 95 -13.033 -9.667 19.183 1.00 25.00 O ATOM 1616 CB VAL A 95 -12.148 -12.358 19.653 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -12.407 -13.867 19.782 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.652 -12.062 19.896 1.00 25.00 C ATOM 0 H VAL A 95 -10.802 -12.054 17.189 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.627 -12.188 18.071 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.730 -11.829 20.408 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -12.080 -14.210 20.764 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -13.473 -14.065 19.666 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.853 -14.399 19.009 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -10.362 -12.435 20.879 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -10.054 -12.556 19.130 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -10.482 -10.986 19.851 1.00 25.00 H new ATOM 1628 N ASN A 96 -12.062 -9.735 17.170 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.933 -8.280 17.077 1.00 25.00 C ATOM 1630 C ASN A 96 -12.508 -7.760 15.748 1.00 25.00 C ATOM 1631 O ASN A 96 -11.788 -7.606 14.762 1.00 25.00 O ATOM 1632 CB ASN A 96 -10.461 -7.892 17.248 1.00 25.00 C ATOM 1633 CG ASN A 96 -10.298 -6.475 17.694 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -11.186 -5.657 17.526 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -9.174 -6.174 18.282 1.00 25.00 N ATOM 0 H ASN A 96 -11.715 -10.244 16.357 1.00 25.00 H new ATOM 0 HA ASN A 96 -12.511 -7.813 17.875 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.994 -8.556 17.976 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.937 -8.036 16.303 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -9.014 -5.225 18.620 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.455 -6.887 18.404 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.828 -7.507 15.690 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.402 -7.199 14.372 1.00 25.00 C ATOM 1644 C PRO A 97 -13.969 -5.883 13.718 1.00 25.00 C ATOM 1645 O PRO A 97 -13.990 -5.778 12.494 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.911 -7.204 14.650 1.00 25.00 C ATOM 1647 CG PRO A 97 -16.022 -6.835 16.085 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.874 -7.565 16.730 1.00 25.00 C ATOM 0 HA PRO A 97 -14.053 -7.927 13.639 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.435 -6.490 14.014 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -16.348 -8.184 14.456 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.943 -5.757 16.229 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.979 -7.143 16.505 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.554 -7.082 17.653 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -15.138 -8.592 16.982 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.538 -4.894 14.495 1.00 25.00 N ATOM 1657 CA GLN A 98 -13.114 -3.621 13.904 1.00 25.00 C ATOM 1658 C GLN A 98 -11.853 -3.842 13.076 1.00 25.00 C ATOM 1659 O GLN A 98 -11.683 -3.235 12.021 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.889 -2.536 14.977 1.00 25.00 C ATOM 1661 CG GLN A 98 -11.753 -2.803 15.940 1.00 25.00 C ATOM 1662 CD GLN A 98 -11.887 -2.030 17.229 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -11.871 -0.814 17.241 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -12.005 -2.737 18.321 1.00 25.00 N ATOM 0 H GLN A 98 -13.472 -4.942 15.512 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.912 -3.259 13.255 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -12.703 -1.586 14.476 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -13.809 -2.419 15.550 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -11.715 -3.869 16.163 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -10.809 -2.543 15.462 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -12.014 -3.756 18.270 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -12.088 -2.270 19.224 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.986 -4.745 13.527 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.772 -5.026 12.778 1.00 25.00 C ATOM 1675 C VAL A 99 -10.061 -6.056 11.700 1.00 25.00 C ATOM 1676 O VAL A 99 -9.472 -6.004 10.646 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.551 -5.439 13.683 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.509 -4.567 14.943 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -8.562 -6.913 14.051 1.00 25.00 C ATOM 0 H VAL A 99 -11.099 -5.282 14.387 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.460 -4.095 12.304 1.00 25.00 H new ATOM 0 HB VAL A 99 -7.647 -5.272 13.097 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.661 -4.861 15.561 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.404 -3.520 14.658 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -9.432 -4.698 15.507 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -7.697 -7.139 14.675 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -9.475 -7.144 14.599 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -8.521 -7.515 13.143 1.00 25.00 H new ATOM 1689 N MET A 100 -11.009 -6.956 11.934 1.00 25.00 N ATOM 1690 CA MET A 100 -11.358 -7.976 10.943 1.00 25.00 C ATOM 1691 C MET A 100 -11.905 -7.345 9.663 1.00 25.00 C ATOM 1692 O MET A 100 -11.615 -7.799 8.562 1.00 25.00 O ATOM 1693 CB MET A 100 -12.388 -8.945 11.520 1.00 25.00 C ATOM 1694 CG MET A 100 -12.445 -10.276 10.787 1.00 25.00 C ATOM 1695 SD MET A 100 -14.131 -10.747 10.352 1.00 25.00 S ATOM 1696 CE MET A 100 -14.415 -9.756 8.858 1.00 25.00 C ATOM 0 H MET A 100 -11.550 -7.003 12.797 1.00 25.00 H new ATOM 0 HA MET A 100 -10.447 -8.521 10.694 1.00 25.00 H new ATOM 0 HB2 MET A 100 -12.156 -9.127 12.569 1.00 25.00 H new ATOM 0 HB3 MET A 100 -13.373 -8.478 11.487 1.00 25.00 H new ATOM 0 HG2 MET A 100 -11.842 -10.215 9.881 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.003 -11.052 11.412 1.00 25.00 H new ATOM 0 HE1 MET A 100 -15.392 -10.000 8.440 1.00 25.00 H new ATOM 0 HE2 MET A 100 -14.383 -8.697 9.113 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.641 -9.976 8.123 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.650 -6.260 9.801 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.152 -5.541 8.636 1.00 25.00 C ATOM 1708 C ALA A 101 -11.991 -4.918 7.839 1.00 25.00 C ATOM 1709 O ALA A 101 -12.063 -4.783 6.622 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.133 -4.465 9.087 1.00 25.00 C ATOM 0 H ALA A 101 -12.920 -5.859 10.699 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.668 -6.242 7.980 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.509 -3.927 8.217 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.966 -4.930 9.614 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.626 -3.767 9.754 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.917 -4.560 8.530 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.747 -3.975 7.895 1.00 25.00 C ATOM 1718 C ALA A 102 -8.926 -5.093 7.241 1.00 25.00 C ATOM 1719 O ALA A 102 -8.356 -4.904 6.183 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.907 -3.211 8.940 1.00 25.00 C ATOM 0 H ALA A 102 -10.834 -4.667 9.541 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.054 -3.265 7.127 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.033 -2.776 8.456 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.510 -2.417 9.382 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.585 -3.899 9.721 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.909 -6.265 7.864 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.223 -7.443 7.316 1.00 25.00 C ATOM 1728 C VAL A 103 -8.839 -7.776 5.964 1.00 25.00 C ATOM 1729 O VAL A 103 -8.128 -7.930 4.973 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.386 -8.668 8.287 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.952 -9.985 7.649 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.591 -8.433 9.581 1.00 25.00 C ATOM 0 H VAL A 103 -9.367 -6.432 8.760 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.160 -7.229 7.204 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.449 -8.750 8.514 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -8.086 -10.797 8.364 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.558 -10.177 6.764 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.902 -9.922 7.363 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.713 -9.290 10.244 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.535 -8.307 9.342 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.960 -7.535 10.077 1.00 25.00 H new ATOM 1742 N ALA A 104 -10.163 -7.853 5.926 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.872 -8.188 4.699 1.00 25.00 C ATOM 1744 C ALA A 104 -10.630 -7.120 3.632 1.00 25.00 C ATOM 1745 O ALA A 104 -10.336 -7.431 2.487 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.368 -8.333 4.993 1.00 25.00 C ATOM 0 H ALA A 104 -10.767 -7.688 6.731 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.495 -9.136 4.316 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.897 -8.584 4.073 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.520 -9.125 5.726 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.754 -7.394 5.389 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.717 -5.857 4.023 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.481 -4.767 3.084 1.00 25.00 C ATOM 1754 C GLN A 105 -9.053 -4.769 2.553 1.00 25.00 C ATOM 1755 O GLN A 105 -8.827 -4.473 1.389 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.780 -3.424 3.741 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.223 -2.998 3.543 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.421 -1.530 3.791 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -11.990 -0.693 3.005 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.059 -1.203 4.881 1.00 25.00 N ATOM 0 H GLN A 105 -10.946 -5.562 4.972 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.154 -4.920 2.240 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.565 -3.487 4.808 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.118 -2.663 3.327 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.535 -3.238 2.526 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.864 -3.568 4.216 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.402 -1.930 5.509 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.215 -0.220 5.105 1.00 25.00 H new ATOM 1769 N THR A 106 -8.084 -5.117 3.386 1.00 25.00 N ATOM 1770 CA THR A 106 -6.698 -5.170 2.932 1.00 25.00 C ATOM 1771 C THR A 106 -6.580 -6.211 1.826 1.00 25.00 C ATOM 1772 O THR A 106 -5.975 -5.948 0.800 1.00 25.00 O ATOM 1773 CB THR A 106 -5.718 -5.525 4.068 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.892 -4.626 5.160 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.289 -5.399 3.615 1.00 25.00 C ATOM 0 H THR A 106 -8.225 -5.364 4.366 1.00 25.00 H new ATOM 0 HA THR A 106 -6.430 -4.178 2.568 1.00 25.00 H new ATOM 0 HB THR A 106 -5.927 -6.553 4.364 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.701 -4.868 5.657 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.622 -5.656 4.438 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.111 -6.076 2.779 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.097 -4.374 3.299 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.195 -7.373 2.004 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.187 -8.398 0.954 1.00 25.00 C ATOM 1785 C GLU A 107 -7.787 -7.892 -0.357 1.00 25.00 C ATOM 1786 O GLU A 107 -7.269 -8.208 -1.422 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.940 -9.653 1.396 1.00 25.00 C ATOM 1788 CG GLU A 107 -7.238 -10.399 2.499 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.907 -11.720 2.851 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.931 -12.075 2.241 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -7.353 -12.432 3.721 1.00 25.00 O ATOM 0 H GLU A 107 -7.701 -7.633 2.851 1.00 25.00 H new ATOM 0 HA GLU A 107 -6.139 -8.644 0.781 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.938 -9.372 1.732 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -8.067 -10.315 0.540 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -6.207 -10.590 2.201 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -7.201 -9.770 3.388 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.847 -7.098 -0.301 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.448 -6.542 -1.523 1.00 25.00 C ATOM 1800 C GLU A 108 -8.470 -5.592 -2.219 1.00 25.00 C ATOM 1801 O GLU A 108 -8.278 -5.644 -3.433 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.723 -5.754 -1.195 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.857 -6.586 -0.626 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.077 -5.731 -0.308 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -12.953 -4.792 0.514 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -14.146 -5.972 -0.903 1.00 25.00 O ATOM 0 H GLU A 108 -9.311 -6.822 0.564 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.688 -7.380 -2.177 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.474 -4.968 -0.482 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.072 -5.262 -2.102 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.133 -7.362 -1.340 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.520 -7.090 0.280 1.00 25.00 H new ATOM 1813 N ILE A 109 -7.846 -4.727 -1.433 1.00 25.00 N ATOM 1814 CA ILE A 109 -6.917 -3.714 -1.946 1.00 25.00 C ATOM 1815 C ILE A 109 -5.672 -4.387 -2.526 1.00 25.00 C ATOM 1816 O ILE A 109 -5.099 -3.931 -3.521 1.00 25.00 O ATOM 1817 CB ILE A 109 -6.534 -2.721 -0.804 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -7.795 -1.962 -0.343 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.464 -1.704 -1.272 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -7.688 -1.330 1.040 1.00 25.00 C ATOM 0 H ILE A 109 -7.965 -4.702 -0.420 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.402 -3.152 -2.744 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.116 -3.297 0.022 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.017 -1.180 -1.069 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -8.640 -2.651 -0.348 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.221 -1.028 -0.452 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -4.565 -2.238 -1.581 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -5.852 -1.129 -2.113 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -8.620 -0.818 1.279 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.499 -2.107 1.781 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -6.868 -0.612 1.050 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.283 -5.507 -1.941 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.136 -6.271 -2.411 1.00 25.00 C ATOM 1834 C LEU A 110 -4.321 -6.772 -3.839 1.00 25.00 C ATOM 1835 O LEU A 110 -3.363 -6.822 -4.594 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.904 -7.451 -1.467 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.731 -7.307 -0.487 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.641 -5.947 0.217 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.810 -8.420 0.558 1.00 25.00 C ATOM 0 H LEU A 110 -5.750 -5.913 -1.130 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.268 -5.611 -2.415 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.815 -7.615 -0.891 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.742 -8.346 -2.068 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.826 -7.384 -1.090 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.782 -5.941 0.888 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.526 -5.159 -0.527 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.551 -5.773 0.791 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.979 -8.323 1.257 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.752 -8.343 1.101 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.755 -9.389 0.062 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.553 -7.062 -4.243 1.00 25.00 N ATOM 1852 CA LYS A 111 -5.821 -7.490 -5.623 1.00 25.00 C ATOM 1853 C LYS A 111 -5.498 -6.386 -6.631 1.00 25.00 C ATOM 1854 O LYS A 111 -5.180 -6.664 -7.778 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.295 -7.904 -5.785 1.00 25.00 C ATOM 1856 CG LYS A 111 -7.812 -8.898 -4.730 1.00 25.00 C ATOM 1857 CD LYS A 111 -7.091 -10.246 -4.779 1.00 25.00 C ATOM 1858 CE LYS A 111 -6.652 -10.723 -3.391 1.00 25.00 C ATOM 1859 NZ LYS A 111 -7.774 -10.910 -2.405 1.00 25.00 N ATOM 0 H LYS A 111 -6.378 -7.011 -3.646 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.174 -8.344 -5.824 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -7.914 -7.008 -5.752 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.426 -8.345 -6.773 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -7.691 -8.463 -3.738 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -8.880 -9.057 -4.880 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -7.749 -10.991 -5.225 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -6.217 -10.165 -5.426 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -6.120 -11.668 -3.498 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -5.943 -10.003 -2.982 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -7.483 -11.588 -1.672 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -8.002 -9.997 -1.962 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -8.613 -11.274 -2.899 1.00 25.00 H new