USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 967 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 26 SER OG : rot -150:sc= -1.08 USER MOD Set 1.2: A 133 GLN : amide:sc= -4.47 K(o=-5.5,f=-6.4!) USER MOD Set 2.1: A 5 TYR OH : rot 14:sc= -2.29 USER MOD Set 2.2: A 41 THR OG1 : rot 160:sc= -1.24 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.159 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -100:sc= -3.53! USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= -0.224 (180deg=-0.961) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl -153:sc= -5.2! (180deg=-8.16!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -150:sc= -1.14 USER MOD Single : A 51 THR OG1 : rot 71:sc= -4.72! USER MOD Single : A 57 GLN : amide:sc= 1.17 K(o=1.2,f=-0.4) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.846 K(o=-0.85,f=-14!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -5.1! C(o=-5.1!,f=-8.7!) USER MOD Single : A 69 TYR OH : rot -136:sc= -4.32! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 4:sc= -1.2! USER MOD Single : A 81 THR OG1 : rot 166:sc= -0.662! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 16:sc= -1.26! USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1 K(o=-1,f=-3.9!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 150:sc= -2.67 USER MOD Single : A 105 HIS : no HD1:sc= -5.14! X(o=-5.1!,f=-4.9) USER MOD Single : A 107 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0072) USER MOD Single : A 123 LYS NZ :NH3+ 153:sc= -0.0738 (180deg=-0.736) USER MOD Single : A 124 GLN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 127 THR OG1 : rot 72:sc= 0.421 USER MOD Single : A 128 TYR OH : rot 15:sc= 0 USER MOD Single : A 130 SER OG : rot -86:sc= -0.354 USER MOD Single : A 131 LYS NZ :NH3+ -156:sc= 0.0968 (180deg=-0.285) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -10.197 9.949 2.760 1.00 0.00 N ATOM 21 CA ARG A 2 -8.898 9.596 3.320 1.00 0.00 C ATOM 22 C ARG A 2 -8.433 8.241 2.796 1.00 0.00 C ATOM 23 O ARG A 2 -9.111 7.614 1.981 1.00 0.00 O ATOM 24 CB ARG A 2 -8.969 9.570 4.849 1.00 0.00 C ATOM 25 CG ARG A 2 -8.539 10.877 5.498 1.00 0.00 C ATOM 26 CD ARG A 2 -9.482 11.279 6.621 1.00 0.00 C ATOM 27 NE ARG A 2 -10.879 11.267 6.195 1.00 0.00 N ATOM 28 CZ ARG A 2 -11.905 11.496 7.011 1.00 0.00 C ATOM 29 NH1 ARG A 2 -11.696 11.757 8.296 1.00 0.00 N ATOM 30 NH2 ARG A 2 -13.145 11.466 6.542 1.00 0.00 N ATOM 0 HA ARG A 2 -8.177 10.352 3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -9.990 9.341 5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -8.337 8.764 5.221 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.527 10.774 5.891 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.510 11.666 4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.354 10.598 7.463 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.220 12.276 6.975 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.080 11.072 5.214 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -10.745 11.783 8.663 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.487 11.932 8.916 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.313 11.267 5.556 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.931 11.642 7.168 1.00 0.00 H new ATOM 44 N ILE A 3 -7.274 7.795 3.264 1.00 0.00 N ATOM 45 CA ILE A 3 -6.722 6.515 2.838 1.00 0.00 C ATOM 46 C ILE A 3 -7.599 5.357 3.300 1.00 0.00 C ATOM 47 O ILE A 3 -8.127 5.372 4.411 1.00 0.00 O ATOM 48 CB ILE A 3 -5.287 6.321 3.363 1.00 0.00 C ATOM 49 CG1 ILE A 3 -4.663 5.062 2.773 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.281 6.257 4.882 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.156 5.133 2.706 1.00 0.00 C ATOM 0 H ILE A 3 -6.698 8.300 3.938 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.696 6.524 1.748 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.689 7.177 3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.955 4.201 3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.060 4.901 1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.259 6.120 5.236 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.684 7.185 5.287 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.896 5.420 5.213 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.767 4.209 2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.859 5.976 2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.753 5.265 3.710 1.00 0.00 H new ATOM 63 N TYR A 4 -7.762 4.359 2.434 1.00 0.00 N ATOM 64 CA TYR A 4 -8.589 3.203 2.759 1.00 0.00 C ATOM 65 C TYR A 4 -7.778 1.914 2.785 1.00 0.00 C ATOM 66 O TYR A 4 -8.128 0.975 3.499 1.00 0.00 O ATOM 67 CB TYR A 4 -9.737 3.071 1.756 1.00 0.00 C ATOM 68 CG TYR A 4 -10.748 4.191 1.836 1.00 0.00 C ATOM 69 CD1 TYR A 4 -11.133 4.724 3.061 1.00 0.00 C ATOM 70 CD2 TYR A 4 -11.318 4.717 0.685 1.00 0.00 C ATOM 71 CE1 TYR A 4 -12.058 5.749 3.135 1.00 0.00 C ATOM 72 CE2 TYR A 4 -12.242 5.742 0.750 1.00 0.00 C ATOM 73 CZ TYR A 4 -12.608 6.255 1.976 1.00 0.00 C ATOM 74 OH TYR A 4 -13.529 7.275 2.045 1.00 0.00 O ATOM 0 H TYR A 4 -7.335 4.329 1.508 1.00 0.00 H new ATOM 0 HA TYR A 4 -8.994 3.365 3.758 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.324 3.038 0.748 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.246 2.122 1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -10.702 4.331 3.970 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -11.034 4.318 -0.278 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -12.348 6.151 4.095 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.676 6.140 -0.156 1.00 0.00 H new ATOM 0 HH TYR A 4 -13.818 7.517 1.140 1.00 0.00 H new ATOM 84 N TYR A 5 -6.701 1.857 2.008 1.00 0.00 N ATOM 85 CA TYR A 5 -5.874 0.658 1.976 1.00 0.00 C ATOM 86 C TYR A 5 -4.404 0.979 1.773 1.00 0.00 C ATOM 87 O TYR A 5 -4.040 1.991 1.174 1.00 0.00 O ATOM 88 CB TYR A 5 -6.344 -0.303 0.879 1.00 0.00 C ATOM 89 CG TYR A 5 -5.489 -1.559 0.741 1.00 0.00 C ATOM 90 CD1 TYR A 5 -4.201 -1.503 0.211 1.00 0.00 C ATOM 91 CD2 TYR A 5 -5.975 -2.800 1.132 1.00 0.00 C ATOM 92 CE1 TYR A 5 -3.429 -2.639 0.077 1.00 0.00 C ATOM 93 CE2 TYR A 5 -5.206 -3.943 1.002 1.00 0.00 C ATOM 94 CZ TYR A 5 -3.935 -3.856 0.474 1.00 0.00 C ATOM 95 OH TYR A 5 -3.168 -4.992 0.343 1.00 0.00 O ATOM 0 H TYR A 5 -6.385 2.614 1.402 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.984 0.179 2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.373 -0.598 1.086 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.350 0.226 -0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.799 -0.551 -0.101 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.970 -2.874 1.545 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.434 -2.574 -0.337 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.600 -4.899 1.313 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.237 -4.740 0.169 1.00 0.00 H new ATOM 105 N ILE A 6 -3.571 0.074 2.261 1.00 0.00 N ATOM 106 CA ILE A 6 -2.133 0.187 2.139 1.00 0.00 C ATOM 107 C ILE A 6 -1.532 -1.208 2.105 1.00 0.00 C ATOM 108 O ILE A 6 -2.192 -2.184 2.463 1.00 0.00 O ATOM 109 CB ILE A 6 -1.537 1.024 3.298 1.00 0.00 C ATOM 110 CG1 ILE A 6 -1.533 2.506 2.902 1.00 0.00 C ATOM 111 CG2 ILE A 6 -0.140 0.558 3.688 1.00 0.00 C ATOM 112 CD1 ILE A 6 -0.446 3.337 3.560 1.00 0.00 C ATOM 0 H ILE A 6 -3.879 -0.763 2.755 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.890 0.708 1.213 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.164 0.883 4.178 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.422 2.578 1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.502 2.937 3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.235 1.176 4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.180 -0.483 4.009 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.526 0.647 2.830 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.522 4.370 3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.566 3.301 4.643 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.531 2.937 3.290 1.00 0.00 H new ATOM 124 N GLY A 7 -0.292 -1.305 1.670 1.00 0.00 N ATOM 125 CA GLY A 7 0.353 -2.593 1.599 1.00 0.00 C ATOM 126 C GLY A 7 1.604 -2.568 0.759 1.00 0.00 C ATOM 127 O GLY A 7 2.142 -1.503 0.452 1.00 0.00 O ATOM 0 H GLY A 7 0.280 -0.517 1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.603 -2.926 2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.344 -3.322 1.185 1.00 0.00 H new ATOM 131 N VAL A 8 2.066 -3.746 0.388 1.00 0.00 N ATOM 132 CA VAL A 8 3.262 -3.879 -0.421 1.00 0.00 C ATOM 133 C VAL A 8 3.158 -5.118 -1.294 1.00 0.00 C ATOM 134 O VAL A 8 2.500 -6.089 -0.918 1.00 0.00 O ATOM 135 CB VAL A 8 4.524 -3.975 0.454 1.00 0.00 C ATOM 136 CG1 VAL A 8 5.697 -3.282 -0.213 1.00 0.00 C ATOM 137 CG2 VAL A 8 4.277 -3.384 1.835 1.00 0.00 C ATOM 0 H VAL A 8 1.627 -4.632 0.637 1.00 0.00 H new ATOM 0 HA VAL A 8 3.345 -2.989 -1.045 1.00 0.00 H new ATOM 0 HB VAL A 8 4.767 -5.031 0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.578 -3.363 0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.900 -3.754 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.457 -2.230 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.185 -3.465 2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.999 -2.335 1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.470 -3.929 2.325 1.00 0.00 H new ATOM 147 N PHE A 9 3.775 -5.087 -2.469 1.00 0.00 N ATOM 148 CA PHE A 9 3.692 -6.227 -3.373 1.00 0.00 C ATOM 149 C PHE A 9 4.914 -6.356 -4.274 1.00 0.00 C ATOM 150 O PHE A 9 5.318 -5.401 -4.938 1.00 0.00 O ATOM 151 CB PHE A 9 2.450 -6.112 -4.253 1.00 0.00 C ATOM 152 CG PHE A 9 1.210 -5.648 -3.540 1.00 0.00 C ATOM 153 CD1 PHE A 9 1.128 -4.377 -2.989 1.00 0.00 C ATOM 154 CD2 PHE A 9 0.112 -6.482 -3.448 1.00 0.00 C ATOM 155 CE1 PHE A 9 -0.025 -3.959 -2.357 1.00 0.00 C ATOM 156 CE2 PHE A 9 -1.044 -6.065 -2.824 1.00 0.00 C ATOM 157 CZ PHE A 9 -1.112 -4.802 -2.276 1.00 0.00 C ATOM 0 H PHE A 9 4.328 -4.302 -2.813 1.00 0.00 H new ATOM 0 HA PHE A 9 3.640 -7.115 -2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.663 -5.421 -5.068 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.250 -7.084 -4.703 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.974 -3.709 -3.055 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.160 -7.475 -3.871 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.076 -2.970 -1.925 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.895 -6.727 -2.764 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.016 -4.474 -1.784 1.00 0.00 H new ATOM 167 N ARG A 10 5.469 -7.562 -4.326 1.00 0.00 N ATOM 168 CA ARG A 10 6.612 -7.845 -5.178 1.00 0.00 C ATOM 169 C ARG A 10 6.125 -8.307 -6.546 1.00 0.00 C ATOM 170 O ARG A 10 5.388 -9.287 -6.651 1.00 0.00 O ATOM 171 CB ARG A 10 7.496 -8.921 -4.547 1.00 0.00 C ATOM 172 CG ARG A 10 8.668 -9.335 -5.421 1.00 0.00 C ATOM 173 CD ARG A 10 8.308 -10.494 -6.337 1.00 0.00 C ATOM 174 NE ARG A 10 8.932 -10.360 -7.652 1.00 0.00 N ATOM 175 CZ ARG A 10 9.790 -11.239 -8.171 1.00 0.00 C ATOM 176 NH1 ARG A 10 10.145 -12.323 -7.491 1.00 0.00 N ATOM 177 NH2 ARG A 10 10.296 -11.030 -9.378 1.00 0.00 N ATOM 0 H ARG A 10 5.142 -8.362 -3.784 1.00 0.00 H new ATOM 0 HA ARG A 10 7.203 -6.936 -5.291 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.876 -8.554 -3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.887 -9.799 -4.331 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.992 -8.485 -6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.510 -9.619 -4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.624 -11.431 -5.879 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.225 -10.544 -6.452 1.00 0.00 H new ATOM 0 HE ARG A 10 8.695 -9.539 -8.210 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.760 -12.490 -6.561 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.802 -12.988 -7.899 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.029 -10.199 -9.906 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.953 -11.700 -9.779 1.00 0.00 H new ATOM 191 N SER A 11 6.527 -7.597 -7.594 1.00 0.00 N ATOM 192 CA SER A 11 6.110 -7.947 -8.948 1.00 0.00 C ATOM 193 C SER A 11 6.477 -9.387 -9.282 1.00 0.00 C ATOM 194 O SER A 11 7.590 -9.672 -9.721 1.00 0.00 O ATOM 195 CB SER A 11 6.737 -7.002 -9.970 1.00 0.00 C ATOM 196 OG SER A 11 7.708 -6.164 -9.368 1.00 0.00 O ATOM 0 H SER A 11 7.137 -6.781 -7.534 1.00 0.00 H new ATOM 0 HA SER A 11 5.026 -7.847 -8.993 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.199 -7.582 -10.769 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.960 -6.391 -10.428 1.00 0.00 H new ATOM 0 HG SER A 11 8.094 -5.571 -10.046 1.00 0.00 H new ATOM 202 N GLY A 12 5.527 -10.288 -9.073 1.00 0.00 N ATOM 203 CA GLY A 12 5.759 -11.692 -9.357 1.00 0.00 C ATOM 204 C GLY A 12 5.691 -12.002 -10.839 1.00 0.00 C ATOM 205 O GLY A 12 6.717 -12.065 -11.516 1.00 0.00 O ATOM 0 H GLY A 12 4.598 -10.072 -8.711 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.738 -11.980 -8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.019 -12.294 -8.829 1.00 0.00 H new ATOM 209 N GLY A 13 4.477 -12.195 -11.344 1.00 0.00 N ATOM 210 CA GLY A 13 4.297 -12.496 -12.752 1.00 0.00 C ATOM 211 C GLY A 13 3.006 -11.924 -13.303 1.00 0.00 C ATOM 212 O GLY A 13 2.971 -10.782 -13.761 1.00 0.00 O ATOM 0 H GLY A 13 3.614 -12.148 -10.803 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.139 -12.096 -13.317 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.302 -13.577 -12.894 1.00 0.00 H new ATOM 216 N GLU A 14 1.942 -12.719 -13.256 1.00 0.00 N ATOM 217 CA GLU A 14 0.641 -12.283 -13.751 1.00 0.00 C ATOM 218 C GLU A 14 0.049 -11.207 -12.845 1.00 0.00 C ATOM 219 O GLU A 14 -0.755 -10.386 -13.284 1.00 0.00 O ATOM 220 CB GLU A 14 -0.316 -13.473 -13.844 1.00 0.00 C ATOM 221 CG GLU A 14 -0.326 -14.139 -15.211 1.00 0.00 C ATOM 222 CD GLU A 14 -0.246 -15.651 -15.124 1.00 0.00 C ATOM 223 OE1 GLU A 14 0.868 -16.176 -14.918 1.00 0.00 O ATOM 224 OE2 GLU A 14 -1.298 -16.310 -15.262 1.00 0.00 O ATOM 0 H GLU A 14 1.955 -13.667 -12.881 1.00 0.00 H new ATOM 0 HA GLU A 14 0.780 -11.859 -14.746 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.039 -14.211 -13.091 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.325 -13.137 -13.605 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.235 -13.857 -15.742 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.514 -13.768 -15.798 1.00 0.00 H new ATOM 231 N LYS A 15 0.454 -11.218 -11.578 1.00 0.00 N ATOM 232 CA LYS A 15 -0.033 -10.244 -10.610 1.00 0.00 C ATOM 233 C LYS A 15 1.056 -9.895 -9.601 1.00 0.00 C ATOM 234 O LYS A 15 2.186 -10.374 -9.704 1.00 0.00 O ATOM 235 CB LYS A 15 -1.265 -10.786 -9.884 1.00 0.00 C ATOM 236 CG LYS A 15 -1.059 -12.168 -9.283 1.00 0.00 C ATOM 237 CD LYS A 15 -1.755 -13.247 -10.101 1.00 0.00 C ATOM 238 CE LYS A 15 -2.659 -14.109 -9.234 1.00 0.00 C ATOM 239 NZ LYS A 15 -1.880 -14.994 -8.324 1.00 0.00 N ATOM 0 H LYS A 15 1.119 -11.892 -11.199 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.310 -9.338 -11.149 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.544 -10.092 -9.091 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.101 -10.824 -10.583 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.008 -12.385 -9.227 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.441 -12.182 -8.262 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.344 -12.782 -10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.008 -13.875 -10.586 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.314 -13.468 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.300 -14.718 -9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.534 -15.564 -7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.274 -15.624 -8.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.288 -14.413 -7.697 1.00 0.00 H new ATOM 253 N ALA A 16 0.710 -9.060 -8.629 1.00 0.00 N ATOM 254 CA ALA A 16 1.661 -8.648 -7.604 1.00 0.00 C ATOM 255 C ALA A 16 1.510 -9.489 -6.344 1.00 0.00 C ATOM 256 O ALA A 16 0.401 -9.682 -5.845 1.00 0.00 O ATOM 257 CB ALA A 16 1.472 -7.176 -7.275 1.00 0.00 C ATOM 0 H ALA A 16 -0.221 -8.655 -8.529 1.00 0.00 H new ATOM 0 HA ALA A 16 2.667 -8.801 -7.995 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.188 -6.880 -6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.634 -6.579 -8.172 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.459 -7.012 -6.908 1.00 0.00 H new ATOM 263 N LEU A 17 2.630 -9.984 -5.826 1.00 0.00 N ATOM 264 CA LEU A 17 2.608 -10.795 -4.618 1.00 0.00 C ATOM 265 C LEU A 17 2.111 -9.973 -3.435 1.00 0.00 C ATOM 266 O LEU A 17 2.430 -8.793 -3.312 1.00 0.00 O ATOM 267 CB LEU A 17 4.003 -11.353 -4.313 1.00 0.00 C ATOM 268 CG LEU A 17 4.153 -12.024 -2.940 1.00 0.00 C ATOM 269 CD1 LEU A 17 4.194 -13.537 -3.081 1.00 0.00 C ATOM 270 CD2 LEU A 17 5.400 -11.520 -2.227 1.00 0.00 C ATOM 0 H LEU A 17 3.558 -9.838 -6.223 1.00 0.00 H new ATOM 0 HA LEU A 17 1.926 -11.629 -4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.263 -12.078 -5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.725 -10.540 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 17 3.284 -11.760 -2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.301 -13.991 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.270 -13.885 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.041 -13.821 -3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.487 -12.008 -1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.280 -11.748 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.327 -10.442 -2.085 1.00 0.00 H new ATOM 282 N GLU A 18 1.335 -10.601 -2.562 1.00 0.00 N ATOM 283 CA GLU A 18 0.807 -9.921 -1.387 1.00 0.00 C ATOM 284 C GLU A 18 1.908 -9.704 -0.350 1.00 0.00 C ATOM 285 O GLU A 18 1.838 -10.226 0.763 1.00 0.00 O ATOM 286 CB GLU A 18 -0.338 -10.731 -0.775 1.00 0.00 C ATOM 287 CG GLU A 18 -1.578 -10.790 -1.652 1.00 0.00 C ATOM 288 CD GLU A 18 -2.636 -11.728 -1.101 1.00 0.00 C ATOM 289 OE1 GLU A 18 -3.125 -11.478 0.020 1.00 0.00 O ATOM 290 OE2 GLU A 18 -2.976 -12.711 -1.793 1.00 0.00 O ATOM 0 H GLU A 18 1.057 -11.579 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 18 0.426 -8.948 -1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.009 -11.746 -0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.605 -10.297 0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.999 -9.789 -1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.296 -11.114 -2.654 1.00 0.00 H new ATOM 297 N LEU A 19 2.926 -8.927 -0.720 1.00 0.00 N ATOM 298 CA LEU A 19 4.040 -8.639 0.180 1.00 0.00 C ATOM 299 C LEU A 19 3.530 -8.198 1.546 1.00 0.00 C ATOM 300 O LEU A 19 4.105 -8.538 2.579 1.00 0.00 O ATOM 301 CB LEU A 19 4.944 -7.564 -0.414 1.00 0.00 C ATOM 302 CG LEU A 19 6.391 -7.604 0.070 1.00 0.00 C ATOM 303 CD1 LEU A 19 7.183 -8.654 -0.695 1.00 0.00 C ATOM 304 CD2 LEU A 19 7.035 -6.237 -0.073 1.00 0.00 C ATOM 0 H LEU A 19 3.001 -8.486 -1.637 1.00 0.00 H new ATOM 0 HA LEU A 19 4.619 -9.554 0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.936 -7.662 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.524 -6.586 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 19 6.395 -7.877 1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.212 -8.667 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.732 -9.634 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.173 -8.414 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.066 -6.282 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.020 -5.935 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.482 -5.510 0.522 1.00 0.00 H new ATOM 316 N SER A 20 2.439 -7.447 1.538 1.00 0.00 N ATOM 317 CA SER A 20 1.829 -6.960 2.767 1.00 0.00 C ATOM 318 C SER A 20 0.478 -6.323 2.457 1.00 0.00 C ATOM 319 O SER A 20 0.355 -5.552 1.506 1.00 0.00 O ATOM 320 CB SER A 20 2.749 -5.958 3.467 1.00 0.00 C ATOM 321 OG SER A 20 4.008 -5.878 2.823 1.00 0.00 O ATOM 0 H SER A 20 1.955 -7.160 0.688 1.00 0.00 H new ATOM 0 HA SER A 20 1.675 -7.803 3.441 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.279 -4.974 3.476 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.888 -6.254 4.507 1.00 0.00 H new ATOM 0 HG SER A 20 4.662 -6.417 3.315 1.00 0.00 H new ATOM 327 N GLU A 21 -0.547 -6.665 3.237 1.00 0.00 N ATOM 328 CA GLU A 21 -1.881 -6.132 2.994 1.00 0.00 C ATOM 329 C GLU A 21 -2.545 -5.590 4.260 1.00 0.00 C ATOM 330 O GLU A 21 -2.898 -6.344 5.166 1.00 0.00 O ATOM 331 CB GLU A 21 -2.757 -7.225 2.382 1.00 0.00 C ATOM 332 CG GLU A 21 -4.190 -6.790 2.131 1.00 0.00 C ATOM 333 CD GLU A 21 -5.207 -7.751 2.718 1.00 0.00 C ATOM 334 OE1 GLU A 21 -5.557 -8.735 2.032 1.00 0.00 O ATOM 335 OE2 GLU A 21 -5.652 -7.519 3.860 1.00 0.00 O ATOM 0 H GLU A 21 -0.479 -7.301 4.032 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.775 -5.292 2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.314 -7.548 1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.760 -8.090 3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.344 -5.799 2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.356 -6.704 1.057 1.00 0.00 H new ATOM 342 N VAL A 22 -2.745 -4.274 4.287 1.00 0.00 N ATOM 343 CA VAL A 22 -3.403 -3.605 5.397 1.00 0.00 C ATOM 344 C VAL A 22 -4.640 -2.872 4.888 1.00 0.00 C ATOM 345 O VAL A 22 -4.606 -2.260 3.820 1.00 0.00 O ATOM 346 CB VAL A 22 -2.457 -2.609 6.087 1.00 0.00 C ATOM 347 CG1 VAL A 22 -2.001 -1.535 5.118 1.00 0.00 C ATOM 348 CG2 VAL A 22 -3.120 -1.986 7.306 1.00 0.00 C ATOM 0 H VAL A 22 -2.454 -3.645 3.538 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.693 -4.359 6.129 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.578 -3.159 6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.333 -0.843 5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.474 -1.998 4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.868 -0.992 4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.431 -1.285 7.777 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.022 -1.457 6.999 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.383 -2.769 8.017 1.00 0.00 H new ATOM 358 N LYS A 23 -5.739 -2.952 5.629 1.00 0.00 N ATOM 359 CA LYS A 23 -6.978 -2.307 5.204 1.00 0.00 C ATOM 360 C LYS A 23 -7.430 -1.218 6.159 1.00 0.00 C ATOM 361 O LYS A 23 -7.027 -1.170 7.321 1.00 0.00 O ATOM 362 CB LYS A 23 -8.102 -3.335 5.083 1.00 0.00 C ATOM 363 CG LYS A 23 -7.709 -4.584 4.312 1.00 0.00 C ATOM 364 CD LYS A 23 -8.549 -5.781 4.729 1.00 0.00 C ATOM 365 CE LYS A 23 -8.798 -6.722 3.561 1.00 0.00 C ATOM 366 NZ LYS A 23 -10.106 -7.423 3.681 1.00 0.00 N ATOM 0 H LYS A 23 -5.799 -3.451 6.517 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.765 -1.851 4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.427 -3.623 6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.956 -2.870 4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.830 -4.407 3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.654 -4.801 4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.043 -6.320 5.530 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.502 -5.436 5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.773 -6.158 2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.995 -7.458 3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.413 -7.748 2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.004 -8.241 4.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.816 -6.770 4.070 1.00 0.00 H new ATOM 380 N ASP A 24 -8.318 -0.372 5.653 1.00 0.00 N ATOM 381 CA ASP A 24 -8.901 0.702 6.433 1.00 0.00 C ATOM 382 C ASP A 24 -10.395 0.755 6.148 1.00 0.00 C ATOM 383 O ASP A 24 -10.821 1.157 5.066 1.00 0.00 O ATOM 384 CB ASP A 24 -8.245 2.042 6.090 1.00 0.00 C ATOM 385 CG ASP A 24 -7.685 2.742 7.314 1.00 0.00 C ATOM 386 OD1 ASP A 24 -8.120 2.412 8.438 1.00 0.00 O ATOM 387 OD2 ASP A 24 -6.812 3.618 7.149 1.00 0.00 O ATOM 0 H ASP A 24 -8.652 -0.414 4.690 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.732 0.513 7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.443 1.877 5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.978 2.689 5.608 1.00 0.00 H new ATOM 392 N LEU A 25 -11.181 0.321 7.119 1.00 0.00 N ATOM 393 CA LEU A 25 -12.630 0.288 6.979 1.00 0.00 C ATOM 394 C LEU A 25 -13.287 1.395 7.797 1.00 0.00 C ATOM 395 O LEU A 25 -13.953 1.133 8.800 1.00 0.00 O ATOM 396 CB LEU A 25 -13.159 -1.078 7.413 1.00 0.00 C ATOM 397 CG LEU A 25 -12.598 -2.261 6.621 1.00 0.00 C ATOM 398 CD1 LEU A 25 -12.865 -2.082 5.135 1.00 0.00 C ATOM 399 CD2 LEU A 25 -11.107 -2.421 6.877 1.00 0.00 C ATOM 0 H LEU A 25 -10.839 -0.016 8.019 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.879 0.455 5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.929 -1.223 8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.245 -1.078 7.320 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.103 -3.167 6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.459 -2.933 4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.940 -2.019 4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.388 -1.166 4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.728 -3.268 6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.586 -1.514 6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.937 -2.596 7.939 1.00 0.00 H new ATOM 411 N SER A 26 -13.086 2.633 7.363 1.00 0.00 N ATOM 412 CA SER A 26 -13.649 3.791 8.050 1.00 0.00 C ATOM 413 C SER A 26 -15.174 3.734 8.084 1.00 0.00 C ATOM 414 O SER A 26 -15.771 3.431 9.117 1.00 0.00 O ATOM 415 CB SER A 26 -13.191 5.083 7.371 1.00 0.00 C ATOM 416 OG SER A 26 -11.910 5.476 7.833 1.00 0.00 O ATOM 0 H SER A 26 -12.535 2.862 6.536 1.00 0.00 H new ATOM 0 HA SER A 26 -13.287 3.775 9.078 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.163 4.940 6.291 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.912 5.877 7.569 1.00 0.00 H new ATOM 0 HG SER A 26 -11.833 6.452 7.794 1.00 0.00 H new ATOM 422 N GLN A 27 -15.801 4.036 6.951 1.00 0.00 N ATOM 423 CA GLN A 27 -17.260 4.028 6.856 1.00 0.00 C ATOM 424 C GLN A 27 -17.779 2.675 6.373 1.00 0.00 C ATOM 425 O GLN A 27 -18.952 2.347 6.552 1.00 0.00 O ATOM 426 CB GLN A 27 -17.729 5.132 5.909 1.00 0.00 C ATOM 427 CG GLN A 27 -17.481 6.535 6.438 1.00 0.00 C ATOM 428 CD GLN A 27 -18.740 7.187 6.974 1.00 0.00 C ATOM 429 OE1 GLN A 27 -18.906 7.341 8.185 1.00 0.00 O ATOM 430 NE2 GLN A 27 -19.635 7.576 6.074 1.00 0.00 N ATOM 0 H GLN A 27 -15.324 4.289 6.086 1.00 0.00 H new ATOM 0 HA GLN A 27 -17.662 4.209 7.853 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -17.220 5.019 4.952 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -18.795 5.008 5.719 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -16.732 6.494 7.229 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -17.068 7.152 5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -19.456 7.429 5.081 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -20.501 8.022 6.376 1.00 0.00 H new ATOM 439 N PHE A 28 -16.896 1.897 5.760 1.00 0.00 N ATOM 440 CA PHE A 28 -17.251 0.578 5.244 1.00 0.00 C ATOM 441 C PHE A 28 -17.783 -0.319 6.360 1.00 0.00 C ATOM 442 O PHE A 28 -17.023 -0.793 7.204 1.00 0.00 O ATOM 443 CB PHE A 28 -16.035 -0.069 4.575 1.00 0.00 C ATOM 444 CG PHE A 28 -15.236 0.896 3.744 1.00 0.00 C ATOM 445 CD1 PHE A 28 -14.256 1.681 4.327 1.00 0.00 C ATOM 446 CD2 PHE A 28 -15.471 1.025 2.385 1.00 0.00 C ATOM 447 CE1 PHE A 28 -13.527 2.577 3.576 1.00 0.00 C ATOM 448 CE2 PHE A 28 -14.740 1.920 1.625 1.00 0.00 C ATOM 449 CZ PHE A 28 -13.768 2.697 2.224 1.00 0.00 C ATOM 0 H PHE A 28 -15.922 2.158 5.607 1.00 0.00 H new ATOM 0 HA PHE A 28 -18.040 0.700 4.502 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -15.391 -0.498 5.343 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -16.370 -0.892 3.944 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -14.060 1.590 5.385 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -16.232 0.421 1.914 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -12.768 3.185 4.046 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -14.929 2.011 0.566 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.197 3.398 1.634 1.00 0.00 H new ATOM 459 N GLY A 29 -19.096 -0.538 6.361 1.00 0.00 N ATOM 460 CA GLY A 29 -19.716 -1.369 7.380 1.00 0.00 C ATOM 461 C GLY A 29 -19.088 -2.746 7.486 1.00 0.00 C ATOM 462 O GLY A 29 -18.075 -3.024 6.846 1.00 0.00 O ATOM 0 H GLY A 29 -19.743 -0.154 5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.642 -0.867 8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.778 -1.476 7.157 1.00 0.00 H new ATOM 466 N PHE A 30 -19.694 -3.607 8.301 1.00 0.00 N ATOM 467 CA PHE A 30 -19.193 -4.965 8.496 1.00 0.00 C ATOM 468 C PHE A 30 -19.337 -5.790 7.221 1.00 0.00 C ATOM 469 O PHE A 30 -18.519 -6.665 6.940 1.00 0.00 O ATOM 470 CB PHE A 30 -19.938 -5.647 9.645 1.00 0.00 C ATOM 471 CG PHE A 30 -21.433 -5.527 9.546 1.00 0.00 C ATOM 472 CD1 PHE A 30 -22.161 -6.401 8.753 1.00 0.00 C ATOM 473 CD2 PHE A 30 -22.110 -4.541 10.246 1.00 0.00 C ATOM 474 CE1 PHE A 30 -23.535 -6.293 8.661 1.00 0.00 C ATOM 475 CE2 PHE A 30 -23.484 -4.429 10.158 1.00 0.00 C ATOM 476 CZ PHE A 30 -24.198 -5.306 9.364 1.00 0.00 C ATOM 0 H PHE A 30 -20.533 -3.388 8.837 1.00 0.00 H new ATOM 0 HA PHE A 30 -18.134 -4.900 8.746 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -19.667 -6.703 9.667 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -19.608 -5.213 10.589 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -21.648 -7.175 8.201 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -21.557 -3.852 10.867 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -24.091 -6.980 8.040 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -24.000 -3.657 10.709 1.00 0.00 H new ATOM 0 HZ PHE A 30 -25.272 -5.220 9.293 1.00 0.00 H new ATOM 486 N PHE A 31 -20.378 -5.497 6.450 1.00 0.00 N ATOM 487 CA PHE A 31 -20.626 -6.204 5.200 1.00 0.00 C ATOM 488 C PHE A 31 -19.861 -5.546 4.057 1.00 0.00 C ATOM 489 O PHE A 31 -19.489 -6.204 3.085 1.00 0.00 O ATOM 490 CB PHE A 31 -22.123 -6.218 4.887 1.00 0.00 C ATOM 491 CG PHE A 31 -22.718 -4.848 4.737 1.00 0.00 C ATOM 492 CD1 PHE A 31 -23.242 -4.182 5.835 1.00 0.00 C ATOM 493 CD2 PHE A 31 -22.754 -4.225 3.500 1.00 0.00 C ATOM 494 CE1 PHE A 31 -23.790 -2.921 5.700 1.00 0.00 C ATOM 495 CE2 PHE A 31 -23.301 -2.964 3.360 1.00 0.00 C ATOM 496 CZ PHE A 31 -23.820 -2.312 4.461 1.00 0.00 C ATOM 0 H PHE A 31 -21.064 -4.774 6.669 1.00 0.00 H new ATOM 0 HA PHE A 31 -20.279 -7.231 5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -22.288 -6.780 3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -22.647 -6.748 5.683 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -23.221 -4.654 6.806 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -22.350 -4.731 2.635 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -24.194 -2.412 6.562 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -23.323 -2.489 2.390 1.00 0.00 H new ATOM 0 HZ PHE A 31 -24.249 -1.327 4.353 1.00 0.00 H new ATOM 506 N GLU A 32 -19.629 -4.243 4.184 1.00 0.00 N ATOM 507 CA GLU A 32 -18.905 -3.493 3.167 1.00 0.00 C ATOM 508 C GLU A 32 -17.409 -3.768 3.253 1.00 0.00 C ATOM 509 O GLU A 32 -16.743 -3.942 2.234 1.00 0.00 O ATOM 510 CB GLU A 32 -19.171 -1.994 3.322 1.00 0.00 C ATOM 511 CG GLU A 32 -18.781 -1.178 2.100 1.00 0.00 C ATOM 512 CD GLU A 32 -19.869 -0.214 1.669 1.00 0.00 C ATOM 513 OE1 GLU A 32 -20.886 -0.677 1.112 1.00 0.00 O ATOM 514 OE2 GLU A 32 -19.704 1.005 1.889 1.00 0.00 O ATOM 0 H GLU A 32 -19.933 -3.686 4.982 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.260 -3.818 2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -20.230 -1.841 3.528 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -18.621 -1.623 4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.871 -0.619 2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -18.552 -1.853 1.275 1.00 0.00 H new ATOM 521 N ARG A 33 -16.883 -3.808 4.474 1.00 0.00 N ATOM 522 CA ARG A 33 -15.461 -4.064 4.686 1.00 0.00 C ATOM 523 C ARG A 33 -15.008 -5.305 3.926 1.00 0.00 C ATOM 524 O ARG A 33 -13.929 -5.325 3.335 1.00 0.00 O ATOM 525 CB ARG A 33 -15.166 -4.241 6.176 1.00 0.00 C ATOM 526 CG ARG A 33 -16.050 -5.270 6.855 1.00 0.00 C ATOM 527 CD ARG A 33 -15.736 -5.383 8.338 1.00 0.00 C ATOM 528 NE ARG A 33 -16.247 -6.624 8.915 1.00 0.00 N ATOM 529 CZ ARG A 33 -16.247 -6.891 10.219 1.00 0.00 C ATOM 530 NH1 ARG A 33 -15.764 -6.007 11.083 1.00 0.00 N ATOM 531 NH2 ARG A 33 -16.730 -8.044 10.659 1.00 0.00 N ATOM 0 H ARG A 33 -17.419 -3.667 5.330 1.00 0.00 H new ATOM 0 HA ARG A 33 -14.909 -3.203 4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -14.123 -4.534 6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.289 -3.281 6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -17.097 -4.995 6.724 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.913 -6.240 6.378 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.657 -5.333 8.484 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.169 -4.533 8.866 1.00 0.00 H new ATOM 0 HE ARG A 33 -16.626 -7.327 8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.391 -5.119 10.749 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.766 -6.216 12.081 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.102 -8.727 9.998 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.730 -8.249 11.658 1.00 0.00 H new ATOM 545 N SER A 34 -15.841 -6.337 3.951 1.00 0.00 N ATOM 546 CA SER A 34 -15.531 -7.585 3.268 1.00 0.00 C ATOM 547 C SER A 34 -15.354 -7.358 1.769 1.00 0.00 C ATOM 548 O SER A 34 -14.299 -7.652 1.204 1.00 0.00 O ATOM 549 CB SER A 34 -16.647 -8.603 3.514 1.00 0.00 C ATOM 550 OG SER A 34 -16.290 -9.883 3.023 1.00 0.00 O ATOM 0 H SER A 34 -16.737 -6.334 4.438 1.00 0.00 H new ATOM 0 HA SER A 34 -14.594 -7.972 3.668 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.857 -8.666 4.582 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.563 -8.267 3.028 1.00 0.00 H new ATOM 0 HG SER A 34 -17.020 -10.514 3.195 1.00 0.00 H new ATOM 556 N SER A 35 -16.394 -6.832 1.133 1.00 0.00 N ATOM 557 CA SER A 35 -16.362 -6.564 -0.299 1.00 0.00 C ATOM 558 C SER A 35 -15.271 -5.557 -0.649 1.00 0.00 C ATOM 559 O SER A 35 -14.423 -5.820 -1.501 1.00 0.00 O ATOM 560 CB SER A 35 -17.721 -6.046 -0.772 1.00 0.00 C ATOM 561 OG SER A 35 -18.755 -6.963 -0.459 1.00 0.00 O ATOM 0 H SER A 35 -17.272 -6.582 1.588 1.00 0.00 H new ATOM 0 HA SER A 35 -16.137 -7.501 -0.809 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.930 -5.084 -0.304 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.694 -5.877 -1.849 1.00 0.00 H new ATOM 0 HG SER A 35 -19.613 -6.607 -0.771 1.00 0.00 H new ATOM 567 N VAL A 36 -15.300 -4.401 0.007 1.00 0.00 N ATOM 568 CA VAL A 36 -14.311 -3.361 -0.250 1.00 0.00 C ATOM 569 C VAL A 36 -12.898 -3.874 -0.014 1.00 0.00 C ATOM 570 O VAL A 36 -12.019 -3.688 -0.853 1.00 0.00 O ATOM 571 CB VAL A 36 -14.523 -2.111 0.622 1.00 0.00 C ATOM 572 CG1 VAL A 36 -13.747 -0.941 0.041 1.00 0.00 C ATOM 573 CG2 VAL A 36 -16.001 -1.766 0.751 1.00 0.00 C ATOM 0 H VAL A 36 -15.993 -4.162 0.716 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.442 -3.084 -1.296 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.150 -2.324 1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -13.900 -0.058 0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.685 -1.186 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.098 -0.738 -0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.114 -0.878 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.417 -1.572 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.531 -2.601 1.210 1.00 0.00 H new ATOM 583 N GLY A 37 -12.681 -4.519 1.131 1.00 0.00 N ATOM 584 CA GLY A 37 -11.363 -5.045 1.446 1.00 0.00 C ATOM 585 C GLY A 37 -10.771 -5.816 0.287 1.00 0.00 C ATOM 586 O GLY A 37 -9.681 -5.497 -0.184 1.00 0.00 O ATOM 0 H GLY A 37 -13.392 -4.686 1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.698 -4.223 1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.431 -5.696 2.318 1.00 0.00 H new ATOM 590 N GLN A 38 -11.505 -6.814 -0.196 1.00 0.00 N ATOM 591 CA GLN A 38 -11.045 -7.598 -1.334 1.00 0.00 C ATOM 592 C GLN A 38 -10.845 -6.679 -2.533 1.00 0.00 C ATOM 593 O GLN A 38 -10.002 -6.929 -3.395 1.00 0.00 O ATOM 594 CB GLN A 38 -12.053 -8.696 -1.673 1.00 0.00 C ATOM 595 CG GLN A 38 -12.409 -9.571 -0.485 1.00 0.00 C ATOM 596 CD GLN A 38 -12.592 -11.027 -0.867 1.00 0.00 C ATOM 597 OE1 GLN A 38 -13.684 -11.448 -1.250 1.00 0.00 O ATOM 598 NE2 GLN A 38 -11.521 -11.805 -0.764 1.00 0.00 N ATOM 0 H GLN A 38 -12.411 -7.096 0.179 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.098 -8.073 -1.079 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -12.962 -8.238 -2.063 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.645 -9.322 -2.467 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.624 -9.493 0.267 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.327 -9.201 -0.028 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.636 -11.414 -0.442 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.584 -12.794 -1.007 1.00 0.00 H new ATOM 607 N PHE A 39 -11.625 -5.601 -2.562 1.00 0.00 N ATOM 608 CA PHE A 39 -11.545 -4.617 -3.627 1.00 0.00 C ATOM 609 C PHE A 39 -10.237 -3.841 -3.536 1.00 0.00 C ATOM 610 O PHE A 39 -9.589 -3.563 -4.545 1.00 0.00 O ATOM 611 CB PHE A 39 -12.729 -3.652 -3.538 1.00 0.00 C ATOM 612 CG PHE A 39 -13.289 -3.265 -4.875 1.00 0.00 C ATOM 613 CD1 PHE A 39 -12.522 -2.548 -5.778 1.00 0.00 C ATOM 614 CD2 PHE A 39 -14.582 -3.614 -5.226 1.00 0.00 C ATOM 615 CE1 PHE A 39 -13.034 -2.186 -7.010 1.00 0.00 C ATOM 616 CE2 PHE A 39 -15.101 -3.256 -6.456 1.00 0.00 C ATOM 617 CZ PHE A 39 -14.325 -2.541 -7.349 1.00 0.00 C ATOM 0 H PHE A 39 -12.325 -5.390 -1.850 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.578 -5.137 -4.584 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.518 -4.111 -2.942 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.414 -2.752 -3.011 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.512 -2.268 -5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -15.192 -4.172 -4.531 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.426 -1.627 -7.706 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -16.111 -3.534 -6.719 1.00 0.00 H new ATOM 0 HZ PHE A 39 -14.728 -2.260 -8.311 1.00 0.00 H new ATOM 627 N MET A 40 -9.857 -3.496 -2.311 1.00 0.00 N ATOM 628 CA MET A 40 -8.634 -2.750 -2.064 1.00 0.00 C ATOM 629 C MET A 40 -7.404 -3.543 -2.491 1.00 0.00 C ATOM 630 O MET A 40 -6.631 -3.100 -3.340 1.00 0.00 O ATOM 631 CB MET A 40 -8.531 -2.388 -0.586 1.00 0.00 C ATOM 632 CG MET A 40 -9.703 -1.567 -0.074 1.00 0.00 C ATOM 633 SD MET A 40 -9.798 -1.537 1.725 1.00 0.00 S ATOM 634 CE MET A 40 -11.452 -0.896 1.967 1.00 0.00 C ATOM 0 H MET A 40 -10.385 -3.724 -1.469 1.00 0.00 H new ATOM 0 HA MET A 40 -8.672 -1.838 -2.659 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.458 -3.305 -0.001 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.609 -1.831 -0.421 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.616 -0.546 -0.446 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.630 -1.975 -0.476 1.00 0.00 H new ATOM 0 HE1 MET A 40 -11.505 -0.379 2.925 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.693 -0.199 1.164 1.00 0.00 H new ATOM 0 HE3 MET A 40 -12.166 -1.719 1.959 1.00 0.00 H new ATOM 644 N THR A 41 -7.226 -4.716 -1.892 1.00 0.00 N ATOM 645 CA THR A 41 -6.086 -5.571 -2.204 1.00 0.00 C ATOM 646 C THR A 41 -6.016 -5.863 -3.698 1.00 0.00 C ATOM 647 O THR A 41 -5.030 -5.537 -4.346 1.00 0.00 O ATOM 648 CB THR A 41 -6.176 -6.879 -1.420 1.00 0.00 C ATOM 649 OG1 THR A 41 -6.288 -6.625 -0.032 1.00 0.00 O ATOM 650 CG2 THR A 41 -4.984 -7.787 -1.628 1.00 0.00 C ATOM 0 H THR A 41 -7.857 -5.097 -1.187 1.00 0.00 H new ATOM 0 HA THR A 41 -5.177 -5.043 -1.914 1.00 0.00 H new ATOM 0 HB THR A 41 -7.064 -7.383 -1.802 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.658 -7.414 0.416 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.113 -8.697 -1.042 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.902 -8.044 -2.684 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.077 -7.275 -1.307 1.00 0.00 H new ATOM 658 N PHE A 42 -7.067 -6.477 -4.238 1.00 0.00 N ATOM 659 CA PHE A 42 -7.119 -6.804 -5.663 1.00 0.00 C ATOM 660 C PHE A 42 -6.629 -5.627 -6.505 1.00 0.00 C ATOM 661 O PHE A 42 -5.874 -5.799 -7.464 1.00 0.00 O ATOM 662 CB PHE A 42 -8.546 -7.175 -6.069 1.00 0.00 C ATOM 663 CG PHE A 42 -8.619 -7.997 -7.324 1.00 0.00 C ATOM 664 CD1 PHE A 42 -8.270 -9.338 -7.312 1.00 0.00 C ATOM 665 CD2 PHE A 42 -9.037 -7.429 -8.517 1.00 0.00 C ATOM 666 CE1 PHE A 42 -8.335 -10.096 -8.465 1.00 0.00 C ATOM 667 CE2 PHE A 42 -9.105 -8.182 -9.673 1.00 0.00 C ATOM 668 CZ PHE A 42 -8.754 -9.518 -9.648 1.00 0.00 C ATOM 0 H PHE A 42 -7.894 -6.758 -3.711 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.464 -7.657 -5.842 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.015 -7.728 -5.255 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.124 -6.262 -6.209 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.943 -9.796 -6.390 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.313 -6.385 -8.543 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.058 -11.140 -8.442 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.432 -7.727 -10.596 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.807 -10.109 -10.550 1.00 0.00 H new ATOM 678 N PHE A 43 -7.054 -4.430 -6.122 1.00 0.00 N ATOM 679 CA PHE A 43 -6.658 -3.214 -6.820 1.00 0.00 C ATOM 680 C PHE A 43 -5.200 -2.878 -6.519 1.00 0.00 C ATOM 681 O PHE A 43 -4.494 -2.316 -7.358 1.00 0.00 O ATOM 682 CB PHE A 43 -7.567 -2.054 -6.401 1.00 0.00 C ATOM 683 CG PHE A 43 -7.810 -1.034 -7.479 1.00 0.00 C ATOM 684 CD1 PHE A 43 -7.914 -1.409 -8.810 1.00 0.00 C ATOM 685 CD2 PHE A 43 -7.939 0.307 -7.154 1.00 0.00 C ATOM 686 CE1 PHE A 43 -8.141 -0.467 -9.794 1.00 0.00 C ATOM 687 CE2 PHE A 43 -8.166 1.253 -8.135 1.00 0.00 C ATOM 688 CZ PHE A 43 -8.267 0.866 -9.457 1.00 0.00 C ATOM 0 H PHE A 43 -7.676 -4.275 -5.328 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.760 -3.375 -7.893 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.526 -2.459 -6.078 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.125 -1.555 -5.539 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.816 -2.450 -9.080 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.861 0.616 -6.122 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.220 -0.773 -10.827 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.264 2.295 -7.868 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.444 1.604 -10.225 1.00 0.00 H new ATOM 698 N ALA A 44 -4.758 -3.230 -5.313 1.00 0.00 N ATOM 699 CA ALA A 44 -3.385 -2.974 -4.886 1.00 0.00 C ATOM 700 C ALA A 44 -2.404 -3.938 -5.553 1.00 0.00 C ATOM 701 O ALA A 44 -1.291 -3.559 -5.927 1.00 0.00 O ATOM 702 CB ALA A 44 -3.281 -3.074 -3.374 1.00 0.00 C ATOM 0 H ALA A 44 -5.334 -3.695 -4.612 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.119 -1.963 -5.195 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.253 -2.881 -3.066 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.941 -2.338 -2.914 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.574 -4.074 -3.054 1.00 0.00 H new ATOM 708 N GLU A 45 -2.829 -5.185 -5.710 1.00 0.00 N ATOM 709 CA GLU A 45 -2.000 -6.198 -6.342 1.00 0.00 C ATOM 710 C GLU A 45 -1.821 -5.863 -7.815 1.00 0.00 C ATOM 711 O GLU A 45 -0.733 -6.010 -8.373 1.00 0.00 O ATOM 712 CB GLU A 45 -2.636 -7.579 -6.178 1.00 0.00 C ATOM 713 CG GLU A 45 -4.065 -7.647 -6.679 1.00 0.00 C ATOM 714 CD GLU A 45 -4.609 -9.062 -6.706 1.00 0.00 C ATOM 715 OE1 GLU A 45 -4.506 -9.758 -5.674 1.00 0.00 O ATOM 716 OE2 GLU A 45 -5.137 -9.475 -7.760 1.00 0.00 O ATOM 0 H GLU A 45 -3.744 -5.518 -5.407 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.022 -6.214 -5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.035 -8.313 -6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.614 -7.858 -5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.699 -7.031 -6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.114 -7.224 -7.682 1.00 0.00 H new ATOM 723 N THR A 46 -2.897 -5.386 -8.435 1.00 0.00 N ATOM 724 CA THR A 46 -2.860 -5.000 -9.838 1.00 0.00 C ATOM 725 C THR A 46 -1.832 -3.892 -10.042 1.00 0.00 C ATOM 726 O THR A 46 -0.926 -4.016 -10.863 1.00 0.00 O ATOM 727 CB THR A 46 -4.251 -4.543 -10.295 1.00 0.00 C ATOM 728 OG1 THR A 46 -5.040 -5.653 -10.680 1.00 0.00 O ATOM 729 CG2 THR A 46 -4.228 -3.575 -11.462 1.00 0.00 C ATOM 0 H THR A 46 -3.804 -5.258 -7.986 1.00 0.00 H new ATOM 0 HA THR A 46 -2.568 -5.860 -10.441 1.00 0.00 H new ATOM 0 HB THR A 46 -4.674 -4.028 -9.432 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.924 -5.342 -10.967 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.249 -3.299 -11.726 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.671 -2.681 -11.182 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.747 -4.049 -12.318 1.00 0.00 H new ATOM 737 N VAL A 47 -1.975 -2.810 -9.278 1.00 0.00 N ATOM 738 CA VAL A 47 -1.048 -1.678 -9.374 1.00 0.00 C ATOM 739 C VAL A 47 0.390 -2.152 -9.382 1.00 0.00 C ATOM 740 O VAL A 47 1.111 -1.948 -10.356 1.00 0.00 O ATOM 741 CB VAL A 47 -1.186 -0.670 -8.211 1.00 0.00 C ATOM 742 CG1 VAL A 47 -1.826 0.615 -8.673 1.00 0.00 C ATOM 743 CG2 VAL A 47 -1.944 -1.235 -7.030 1.00 0.00 C ATOM 0 H VAL A 47 -2.718 -2.691 -8.589 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.310 -1.181 -10.308 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.171 -0.459 -7.873 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.909 1.303 -7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.213 1.067 -9.453 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.819 0.405 -9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.009 -0.482 -6.245 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.948 -1.519 -7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.422 -2.112 -6.649 1.00 0.00 H new ATOM 753 N ALA A 48 0.809 -2.795 -8.299 1.00 0.00 N ATOM 754 CA ALA A 48 2.168 -3.298 -8.220 1.00 0.00 C ATOM 755 C ALA A 48 2.473 -4.138 -9.455 1.00 0.00 C ATOM 756 O ALA A 48 3.608 -4.181 -9.930 1.00 0.00 O ATOM 757 CB ALA A 48 2.375 -4.085 -6.939 1.00 0.00 C ATOM 0 H ALA A 48 0.234 -2.977 -7.476 1.00 0.00 H new ATOM 0 HA ALA A 48 2.864 -2.459 -8.196 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.400 -4.453 -6.900 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.188 -3.439 -6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.685 -4.929 -6.915 1.00 0.00 H new ATOM 763 N SER A 49 1.430 -4.769 -9.996 1.00 0.00 N ATOM 764 CA SER A 49 1.565 -5.565 -11.205 1.00 0.00 C ATOM 765 C SER A 49 1.788 -4.634 -12.391 1.00 0.00 C ATOM 766 O SER A 49 2.611 -4.905 -13.266 1.00 0.00 O ATOM 767 CB SER A 49 0.315 -6.419 -11.434 1.00 0.00 C ATOM 768 OG SER A 49 0.631 -7.604 -12.145 1.00 0.00 O ATOM 0 H SER A 49 0.485 -4.741 -9.612 1.00 0.00 H new ATOM 0 HA SER A 49 2.417 -6.236 -11.098 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.135 -6.675 -10.475 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.426 -5.844 -11.990 1.00 0.00 H new ATOM 0 HG SER A 49 -0.142 -7.880 -12.681 1.00 0.00 H new ATOM 774 N ARG A 50 1.061 -3.515 -12.391 1.00 0.00 N ATOM 775 CA ARG A 50 1.191 -2.515 -13.444 1.00 0.00 C ATOM 776 C ARG A 50 2.505 -1.775 -13.292 1.00 0.00 C ATOM 777 O ARG A 50 3.098 -1.325 -14.273 1.00 0.00 O ATOM 778 CB ARG A 50 0.036 -1.510 -13.399 1.00 0.00 C ATOM 779 CG ARG A 50 -1.337 -2.144 -13.263 1.00 0.00 C ATOM 780 CD ARG A 50 -2.258 -1.289 -12.404 1.00 0.00 C ATOM 781 NE ARG A 50 -3.504 -0.962 -13.094 1.00 0.00 N ATOM 782 CZ ARG A 50 -3.620 0.008 -13.998 1.00 0.00 C ATOM 783 NH1 ARG A 50 -2.568 0.747 -14.328 1.00 0.00 N ATOM 784 NH2 ARG A 50 -4.790 0.239 -14.577 1.00 0.00 N ATOM 0 H ARG A 50 0.377 -3.282 -11.672 1.00 0.00 H new ATOM 0 HA ARG A 50 1.164 -3.031 -14.404 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.194 -0.830 -12.562 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.057 -0.908 -14.308 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.778 -2.278 -14.251 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.240 -3.135 -12.821 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.484 -1.818 -11.478 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.744 -0.368 -12.128 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.335 -1.510 -12.869 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.664 0.573 -13.888 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.663 1.489 -15.021 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.602 -0.327 -14.330 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.878 0.983 -15.270 1.00 0.00 H new ATOM 798 N THR A 51 2.962 -1.659 -12.052 1.00 0.00 N ATOM 799 CA THR A 51 4.205 -0.985 -11.771 1.00 0.00 C ATOM 800 C THR A 51 5.367 -1.934 -12.024 1.00 0.00 C ATOM 801 O THR A 51 5.605 -2.866 -11.255 1.00 0.00 O ATOM 802 CB THR A 51 4.198 -0.489 -10.323 1.00 0.00 C ATOM 803 OG1 THR A 51 2.947 0.094 -10.018 1.00 0.00 O ATOM 804 CG2 THR A 51 5.270 0.537 -10.030 1.00 0.00 C ATOM 0 H THR A 51 2.484 -2.026 -11.229 1.00 0.00 H new ATOM 0 HA THR A 51 4.321 -0.123 -12.428 1.00 0.00 H new ATOM 0 HB THR A 51 4.395 -1.367 -9.708 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.264 -0.607 -9.962 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.205 0.843 -8.986 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.251 0.102 -10.220 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.127 1.406 -10.672 1.00 0.00 H new ATOM 812 N GLY A 52 6.076 -1.697 -13.121 1.00 0.00 N ATOM 813 CA GLY A 52 7.198 -2.544 -13.482 1.00 0.00 C ATOM 814 C GLY A 52 8.492 -2.136 -12.807 1.00 0.00 C ATOM 815 O GLY A 52 9.552 -2.148 -13.431 1.00 0.00 O ATOM 0 H GLY A 52 5.893 -0.931 -13.769 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.967 -3.576 -13.217 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.334 -2.515 -14.563 1.00 0.00 H new ATOM 819 N ALA A 53 8.409 -1.785 -11.528 1.00 0.00 N ATOM 820 CA ALA A 53 9.589 -1.382 -10.773 1.00 0.00 C ATOM 821 C ALA A 53 10.230 -0.130 -11.360 1.00 0.00 C ATOM 822 O ALA A 53 10.287 0.040 -12.578 1.00 0.00 O ATOM 823 CB ALA A 53 10.600 -2.516 -10.731 1.00 0.00 C ATOM 0 H ALA A 53 7.540 -1.771 -10.994 1.00 0.00 H new ATOM 0 HA ALA A 53 9.269 -1.149 -9.758 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.476 -2.201 -10.164 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.151 -3.386 -10.252 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.899 -2.775 -11.747 1.00 0.00 H new ATOM 829 N GLY A 54 10.710 0.746 -10.485 1.00 0.00 N ATOM 830 CA GLY A 54 11.340 1.972 -10.933 1.00 0.00 C ATOM 831 C GLY A 54 10.333 3.043 -11.297 1.00 0.00 C ATOM 832 O GLY A 54 10.709 4.142 -11.707 1.00 0.00 O ATOM 0 H GLY A 54 10.674 0.628 -9.472 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.996 2.347 -10.148 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.968 1.759 -11.798 1.00 0.00 H new ATOM 836 N GLU A 55 9.048 2.729 -11.150 1.00 0.00 N ATOM 837 CA GLU A 55 7.996 3.680 -11.472 1.00 0.00 C ATOM 838 C GLU A 55 6.901 3.679 -10.409 1.00 0.00 C ATOM 839 O GLU A 55 6.809 2.761 -9.596 1.00 0.00 O ATOM 840 CB GLU A 55 7.393 3.361 -12.841 1.00 0.00 C ATOM 841 CG GLU A 55 6.978 1.908 -13.000 1.00 0.00 C ATOM 842 CD GLU A 55 5.891 1.722 -14.038 1.00 0.00 C ATOM 843 OE1 GLU A 55 4.700 1.844 -13.680 1.00 0.00 O ATOM 844 OE2 GLU A 55 6.228 1.452 -15.211 1.00 0.00 O ATOM 0 H GLU A 55 8.715 1.826 -10.811 1.00 0.00 H new ATOM 0 HA GLU A 55 8.443 4.674 -11.498 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.524 3.998 -13.003 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.119 3.609 -13.615 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.848 1.314 -13.280 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.628 1.527 -12.041 1.00 0.00 H new ATOM 851 N ARG A 56 6.071 4.718 -10.429 1.00 0.00 N ATOM 852 CA ARG A 56 4.974 4.847 -9.476 1.00 0.00 C ATOM 853 C ARG A 56 3.636 4.900 -10.204 1.00 0.00 C ATOM 854 O ARG A 56 3.580 5.222 -11.390 1.00 0.00 O ATOM 855 CB ARG A 56 5.154 6.108 -8.626 1.00 0.00 C ATOM 856 CG ARG A 56 5.574 7.329 -9.427 1.00 0.00 C ATOM 857 CD ARG A 56 4.910 8.593 -8.905 1.00 0.00 C ATOM 858 NE ARG A 56 5.438 9.795 -9.548 1.00 0.00 N ATOM 859 CZ ARG A 56 6.640 10.305 -9.293 1.00 0.00 C ATOM 860 NH1 ARG A 56 7.442 9.721 -8.410 1.00 0.00 N ATOM 861 NH2 ARG A 56 7.041 11.401 -9.921 1.00 0.00 N ATOM 0 H ARG A 56 6.138 5.485 -11.098 1.00 0.00 H new ATOM 0 HA ARG A 56 4.983 3.974 -8.823 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.218 6.326 -8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.902 5.914 -7.857 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.657 7.440 -9.381 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.312 7.185 -10.475 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.835 8.534 -9.074 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.060 8.663 -7.828 1.00 0.00 H new ATOM 0 HE ARG A 56 4.850 10.271 -10.233 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.137 8.878 -7.924 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.363 10.116 -8.218 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.428 11.853 -10.599 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.962 11.792 -9.726 1.00 0.00 H new ATOM 875 N GLN A 57 2.558 4.581 -9.493 1.00 0.00 N ATOM 876 CA GLN A 57 1.226 4.596 -10.096 1.00 0.00 C ATOM 877 C GLN A 57 0.167 5.132 -9.142 1.00 0.00 C ATOM 878 O GLN A 57 0.203 4.882 -7.942 1.00 0.00 O ATOM 879 CB GLN A 57 0.813 3.191 -10.554 1.00 0.00 C ATOM 880 CG GLN A 57 1.607 2.679 -11.745 1.00 0.00 C ATOM 881 CD GLN A 57 1.273 3.416 -13.028 1.00 0.00 C ATOM 882 OE1 GLN A 57 0.306 3.085 -13.714 1.00 0.00 O ATOM 883 NE2 GLN A 57 2.074 4.421 -13.359 1.00 0.00 N ATOM 0 H GLN A 57 2.578 4.312 -8.509 1.00 0.00 H new ATOM 0 HA GLN A 57 1.288 5.263 -10.956 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.934 2.497 -9.722 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.246 3.199 -10.811 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.672 2.781 -11.538 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.409 1.616 -11.879 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.865 4.661 -12.761 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.899 4.953 -14.211 1.00 0.00 H new ATOM 892 N SER A 58 -0.803 5.831 -9.705 1.00 0.00 N ATOM 893 CA SER A 58 -1.911 6.364 -8.949 1.00 0.00 C ATOM 894 C SER A 58 -3.189 6.011 -9.691 1.00 0.00 C ATOM 895 O SER A 58 -3.534 6.635 -10.693 1.00 0.00 O ATOM 896 CB SER A 58 -1.783 7.880 -8.788 1.00 0.00 C ATOM 897 OG SER A 58 -2.895 8.416 -8.092 1.00 0.00 O ATOM 0 H SER A 58 -0.840 6.043 -10.702 1.00 0.00 H new ATOM 0 HA SER A 58 -1.922 5.934 -7.947 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.865 8.115 -8.249 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.705 8.348 -9.770 1.00 0.00 H new ATOM 0 HG SER A 58 -2.788 9.386 -8.001 1.00 0.00 H new ATOM 903 N ILE A 59 -3.872 4.987 -9.207 1.00 0.00 N ATOM 904 CA ILE A 59 -5.099 4.522 -9.843 1.00 0.00 C ATOM 905 C ILE A 59 -6.289 5.342 -9.378 1.00 0.00 C ATOM 906 O ILE A 59 -6.777 5.178 -8.261 1.00 0.00 O ATOM 907 CB ILE A 59 -5.364 3.016 -9.579 1.00 0.00 C ATOM 908 CG1 ILE A 59 -4.387 2.463 -8.547 1.00 0.00 C ATOM 909 CG2 ILE A 59 -5.257 2.220 -10.869 1.00 0.00 C ATOM 910 CD1 ILE A 59 -4.678 1.042 -8.145 1.00 0.00 C ATOM 0 H ILE A 59 -3.600 4.461 -8.377 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.966 4.653 -10.917 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.376 2.920 -9.186 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.376 2.518 -8.950 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.412 3.095 -7.660 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.446 1.166 -10.663 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.992 2.587 -11.585 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.256 2.334 -11.285 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.944 0.714 -7.409 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.677 0.984 -7.712 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.625 0.397 -9.022 1.00 0.00 H new ATOM 922 N GLU A 60 -6.742 6.231 -10.249 1.00 0.00 N ATOM 923 CA GLU A 60 -7.871 7.098 -9.946 1.00 0.00 C ATOM 924 C GLU A 60 -9.179 6.480 -10.421 1.00 0.00 C ATOM 925 O GLU A 60 -9.447 6.409 -11.620 1.00 0.00 O ATOM 926 CB GLU A 60 -7.678 8.469 -10.597 1.00 0.00 C ATOM 927 CG GLU A 60 -8.422 9.589 -9.890 1.00 0.00 C ATOM 928 CD GLU A 60 -7.977 10.963 -10.350 1.00 0.00 C ATOM 929 OE1 GLU A 60 -8.216 11.302 -11.528 1.00 0.00 O ATOM 930 OE2 GLU A 60 -7.390 11.702 -9.531 1.00 0.00 O ATOM 0 H GLU A 60 -6.342 6.371 -11.177 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.920 7.219 -8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.614 8.706 -10.616 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.012 8.420 -11.633 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.492 9.479 -10.068 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.267 9.502 -8.815 1.00 0.00 H new ATOM 937 N GLU A 61 -9.990 6.041 -9.469 1.00 0.00 N ATOM 938 CA GLU A 61 -11.276 5.435 -9.778 1.00 0.00 C ATOM 939 C GLU A 61 -12.410 6.338 -9.313 1.00 0.00 C ATOM 940 O GLU A 61 -12.180 7.340 -8.637 1.00 0.00 O ATOM 941 CB GLU A 61 -11.391 4.060 -9.115 1.00 0.00 C ATOM 942 CG GLU A 61 -11.151 2.903 -10.070 1.00 0.00 C ATOM 943 CD GLU A 61 -12.380 2.556 -10.886 1.00 0.00 C ATOM 944 OE1 GLU A 61 -13.467 2.408 -10.288 1.00 0.00 O ATOM 945 OE2 GLU A 61 -12.257 2.433 -12.122 1.00 0.00 O ATOM 0 H GLU A 61 -9.778 6.094 -8.473 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.349 5.308 -10.858 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.674 3.999 -8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.384 3.959 -8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.332 3.156 -10.743 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.837 2.027 -9.502 1.00 0.00 H new ATOM 952 N GLY A 62 -13.635 5.978 -9.675 1.00 0.00 N ATOM 953 CA GLY A 62 -14.783 6.769 -9.278 1.00 0.00 C ATOM 954 C GLY A 62 -15.031 6.735 -7.780 1.00 0.00 C ATOM 955 O GLY A 62 -15.909 7.436 -7.279 1.00 0.00 O ATOM 0 H GLY A 62 -13.853 5.154 -10.235 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.634 7.802 -9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.669 6.402 -9.797 1.00 0.00 H new ATOM 959 N ASN A 63 -14.267 5.912 -7.060 1.00 0.00 N ATOM 960 CA ASN A 63 -14.428 5.795 -5.616 1.00 0.00 C ATOM 961 C ASN A 63 -13.233 6.371 -4.860 1.00 0.00 C ATOM 962 O ASN A 63 -13.403 7.035 -3.838 1.00 0.00 O ATOM 963 CB ASN A 63 -14.634 4.330 -5.223 1.00 0.00 C ATOM 964 CG ASN A 63 -13.675 3.394 -5.934 1.00 0.00 C ATOM 965 OD1 ASN A 63 -12.586 3.795 -6.342 1.00 0.00 O ATOM 966 ND2 ASN A 63 -14.078 2.138 -6.085 1.00 0.00 N ATOM 0 H ASN A 63 -13.535 5.321 -7.454 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.308 6.375 -5.339 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -14.506 4.225 -4.146 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -15.659 4.037 -5.452 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.476 1.462 -6.555 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -14.990 1.849 -5.731 1.00 0.00 H new ATOM 973 N TYR A 64 -12.024 6.107 -5.349 1.00 0.00 N ATOM 974 CA TYR A 64 -10.820 6.602 -4.683 1.00 0.00 C ATOM 975 C TYR A 64 -9.572 6.456 -5.554 1.00 0.00 C ATOM 976 O TYR A 64 -9.649 6.060 -6.718 1.00 0.00 O ATOM 977 CB TYR A 64 -10.620 5.859 -3.357 1.00 0.00 C ATOM 978 CG TYR A 64 -11.040 4.405 -3.402 1.00 0.00 C ATOM 979 CD1 TYR A 64 -10.400 3.503 -4.244 1.00 0.00 C ATOM 980 CD2 TYR A 64 -12.076 3.936 -2.605 1.00 0.00 C ATOM 981 CE1 TYR A 64 -10.782 2.176 -4.289 1.00 0.00 C ATOM 982 CE2 TYR A 64 -12.462 2.610 -2.644 1.00 0.00 C ATOM 983 CZ TYR A 64 -11.813 1.734 -3.487 1.00 0.00 C ATOM 984 OH TYR A 64 -12.195 0.413 -3.528 1.00 0.00 O ATOM 0 H TYR A 64 -11.851 5.561 -6.193 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.963 7.667 -4.497 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.569 5.915 -3.075 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.187 6.367 -2.577 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.591 3.845 -4.873 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -12.588 4.619 -1.944 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -10.275 1.488 -4.949 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -13.269 2.261 -2.017 1.00 0.00 H new ATOM 0 HH TYR A 64 -12.934 0.267 -2.902 1.00 0.00 H new ATOM 994 N ILE A 65 -8.423 6.787 -4.966 1.00 0.00 N ATOM 995 CA ILE A 65 -7.136 6.711 -5.653 1.00 0.00 C ATOM 996 C ILE A 65 -6.308 5.542 -5.120 1.00 0.00 C ATOM 997 O ILE A 65 -6.527 5.066 -4.009 1.00 0.00 O ATOM 998 CB ILE A 65 -6.329 8.028 -5.467 1.00 0.00 C ATOM 999 CG1 ILE A 65 -6.606 8.990 -6.622 1.00 0.00 C ATOM 1000 CG2 ILE A 65 -4.824 7.764 -5.345 1.00 0.00 C ATOM 1001 CD1 ILE A 65 -5.676 10.184 -6.643 1.00 0.00 C ATOM 0 H ILE A 65 -8.359 7.115 -4.002 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.339 6.560 -6.713 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.660 8.485 -4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.515 8.451 -7.565 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.636 9.341 -6.554 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.298 8.710 -5.217 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.636 7.124 -4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.467 7.270 -6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.927 10.826 -7.487 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.784 10.746 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.646 9.841 -6.742 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.339 5.102 -5.913 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.478 4.016 -5.493 1.00 0.00 C ATOM 1015 C GLY A 66 -3.029 4.284 -5.832 1.00 0.00 C ATOM 1016 O GLY A 66 -2.556 3.932 -6.912 1.00 0.00 O ATOM 0 H GLY A 66 -5.135 5.478 -6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.578 3.868 -4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.799 3.092 -5.973 1.00 0.00 H new ATOM 1020 N HIS A 67 -2.328 4.927 -4.909 1.00 0.00 N ATOM 1021 CA HIS A 67 -0.929 5.267 -5.111 1.00 0.00 C ATOM 1022 C HIS A 67 -0.051 4.025 -5.226 1.00 0.00 C ATOM 1023 O HIS A 67 -0.426 2.936 -4.789 1.00 0.00 O ATOM 1024 CB HIS A 67 -0.427 6.159 -3.977 1.00 0.00 C ATOM 1025 CG HIS A 67 -1.102 7.491 -3.932 1.00 0.00 C ATOM 1026 ND1 HIS A 67 -1.166 8.340 -5.017 1.00 0.00 N ATOM 1027 CD2 HIS A 67 -1.753 8.118 -2.928 1.00 0.00 C ATOM 1028 CE1 HIS A 67 -1.826 9.432 -4.678 1.00 0.00 C ATOM 1029 NE2 HIS A 67 -2.193 9.323 -3.416 1.00 0.00 N ATOM 0 H HIS A 67 -2.708 5.224 -4.010 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.861 5.810 -6.054 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.582 5.648 -3.026 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.647 6.307 -4.088 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.900 7.741 -1.927 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.031 10.272 -5.325 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.718 10.020 -2.889 1.00 0.00 H new ATOM 1038 N VAL A 68 1.118 4.208 -5.827 1.00 0.00 N ATOM 1039 CA VAL A 68 2.072 3.126 -6.028 1.00 0.00 C ATOM 1040 C VAL A 68 3.490 3.683 -6.109 1.00 0.00 C ATOM 1041 O VAL A 68 3.720 4.725 -6.723 1.00 0.00 O ATOM 1042 CB VAL A 68 1.737 2.343 -7.326 1.00 0.00 C ATOM 1043 CG1 VAL A 68 2.972 1.958 -8.126 1.00 0.00 C ATOM 1044 CG2 VAL A 68 0.945 1.094 -7.027 1.00 0.00 C ATOM 0 H VAL A 68 1.431 5.109 -6.188 1.00 0.00 H new ATOM 0 HA VAL A 68 2.006 2.444 -5.180 1.00 0.00 H new ATOM 0 HB VAL A 68 1.140 3.027 -7.929 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.671 1.413 -9.021 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.514 2.859 -8.415 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.618 1.326 -7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.727 0.570 -7.958 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.524 0.444 -6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.010 1.365 -6.536 1.00 0.00 H new ATOM 1054 N TYR A 69 4.439 2.977 -5.516 1.00 0.00 N ATOM 1055 CA TYR A 69 5.833 3.397 -5.559 1.00 0.00 C ATOM 1056 C TYR A 69 6.751 2.187 -5.534 1.00 0.00 C ATOM 1057 O TYR A 69 6.842 1.477 -4.531 1.00 0.00 O ATOM 1058 CB TYR A 69 6.159 4.337 -4.400 1.00 0.00 C ATOM 1059 CG TYR A 69 5.629 5.739 -4.591 1.00 0.00 C ATOM 1060 CD1 TYR A 69 6.342 6.677 -5.328 1.00 0.00 C ATOM 1061 CD2 TYR A 69 4.417 6.124 -4.035 1.00 0.00 C ATOM 1062 CE1 TYR A 69 5.859 7.960 -5.505 1.00 0.00 C ATOM 1063 CE2 TYR A 69 3.927 7.404 -4.207 1.00 0.00 C ATOM 1064 CZ TYR A 69 4.652 8.319 -4.942 1.00 0.00 C ATOM 1065 OH TYR A 69 4.165 9.596 -5.114 1.00 0.00 O ATOM 0 H TYR A 69 4.272 2.113 -5.000 1.00 0.00 H new ATOM 0 HA TYR A 69 5.994 3.940 -6.490 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.745 3.923 -3.480 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.241 4.381 -4.272 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.288 6.399 -5.769 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.847 5.411 -3.458 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.424 8.678 -6.081 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.981 7.687 -3.768 1.00 0.00 H new ATOM 0 HH TYR A 69 3.810 9.928 -4.263 1.00 0.00 H new ATOM 1075 N ALA A 70 7.421 1.951 -6.653 1.00 0.00 N ATOM 1076 CA ALA A 70 8.329 0.820 -6.771 1.00 0.00 C ATOM 1077 C ALA A 70 9.779 1.247 -6.575 1.00 0.00 C ATOM 1078 O ALA A 70 10.139 2.397 -6.826 1.00 0.00 O ATOM 1079 CB ALA A 70 8.152 0.148 -8.120 1.00 0.00 C ATOM 0 H ALA A 70 7.353 2.528 -7.492 1.00 0.00 H new ATOM 0 HA ALA A 70 8.085 0.107 -5.983 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.836 -0.697 -8.198 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.126 -0.206 -8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.367 0.863 -8.914 1.00 0.00 H new ATOM 1085 N ARG A 71 10.606 0.310 -6.123 1.00 0.00 N ATOM 1086 CA ARG A 71 12.019 0.582 -5.891 1.00 0.00 C ATOM 1087 C ARG A 71 12.873 0.017 -7.021 1.00 0.00 C ATOM 1088 O ARG A 71 12.353 -0.560 -7.977 1.00 0.00 O ATOM 1089 CB ARG A 71 12.459 -0.011 -4.551 1.00 0.00 C ATOM 1090 CG ARG A 71 12.821 1.037 -3.511 1.00 0.00 C ATOM 1091 CD ARG A 71 14.200 1.624 -3.768 1.00 0.00 C ATOM 1092 NE ARG A 71 14.752 2.264 -2.577 1.00 0.00 N ATOM 1093 CZ ARG A 71 16.013 2.679 -2.476 1.00 0.00 C ATOM 1094 NH1 ARG A 71 16.855 2.524 -3.490 1.00 0.00 N ATOM 1095 NH2 ARG A 71 16.433 3.253 -1.357 1.00 0.00 N ATOM 0 H ARG A 71 10.321 -0.646 -5.910 1.00 0.00 H new ATOM 0 HA ARG A 71 12.158 1.663 -5.863 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.657 -0.637 -4.160 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.319 -0.660 -4.715 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.077 1.834 -3.522 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.794 0.590 -2.517 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.874 0.835 -4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.139 2.353 -4.576 1.00 0.00 H new ATOM 0 HE ARG A 71 14.136 2.401 -1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 71 16.537 2.084 -4.354 1.00 0.00 H new ATOM 0 HH12 ARG A 71 17.820 2.844 -3.405 1.00 0.00 H new ATOM 0 HH21 ARG A 71 15.790 3.376 -0.575 1.00 0.00 H new ATOM 0 HH22 ARG A 71 17.399 3.571 -1.279 1.00 0.00 H new ATOM 1109 N SER A 72 14.185 0.188 -6.906 1.00 0.00 N ATOM 1110 CA SER A 72 15.113 -0.304 -7.917 1.00 0.00 C ATOM 1111 C SER A 72 15.038 -1.824 -8.041 1.00 0.00 C ATOM 1112 O SER A 72 15.321 -2.384 -9.100 1.00 0.00 O ATOM 1113 CB SER A 72 16.542 0.120 -7.574 1.00 0.00 C ATOM 1114 OG SER A 72 16.869 1.353 -8.188 1.00 0.00 O ATOM 0 H SER A 72 14.630 0.664 -6.122 1.00 0.00 H new ATOM 0 HA SER A 72 14.828 0.132 -8.875 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.649 0.209 -6.493 1.00 0.00 H new ATOM 0 HB3 SER A 72 17.241 -0.649 -7.901 1.00 0.00 H new ATOM 0 HG SER A 72 17.787 1.603 -7.952 1.00 0.00 H new ATOM 1120 N GLU A 73 14.657 -2.487 -6.953 1.00 0.00 N ATOM 1121 CA GLU A 73 14.551 -3.941 -6.944 1.00 0.00 C ATOM 1122 C GLU A 73 13.220 -4.398 -7.537 1.00 0.00 C ATOM 1123 O GLU A 73 12.492 -3.606 -8.136 1.00 0.00 O ATOM 1124 CB GLU A 73 14.711 -4.474 -5.517 1.00 0.00 C ATOM 1125 CG GLU A 73 16.030 -5.196 -5.279 1.00 0.00 C ATOM 1126 CD GLU A 73 17.223 -4.432 -5.820 1.00 0.00 C ATOM 1127 OE1 GLU A 73 17.287 -3.203 -5.611 1.00 0.00 O ATOM 1128 OE2 GLU A 73 18.094 -5.064 -6.455 1.00 0.00 O ATOM 0 H GLU A 73 14.417 -2.041 -6.068 1.00 0.00 H new ATOM 0 HA GLU A 73 15.352 -4.345 -7.563 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.630 -3.643 -4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.889 -5.156 -5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 73 16.163 -5.358 -4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 73 15.991 -6.179 -5.748 1.00 0.00 H new ATOM 1135 N GLY A 74 12.914 -5.682 -7.377 1.00 0.00 N ATOM 1136 CA GLY A 74 11.677 -6.223 -7.913 1.00 0.00 C ATOM 1137 C GLY A 74 10.528 -6.195 -6.920 1.00 0.00 C ATOM 1138 O GLY A 74 9.438 -6.683 -7.218 1.00 0.00 O ATOM 0 H GLY A 74 13.500 -6.357 -6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.395 -5.656 -8.800 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.847 -7.251 -8.233 1.00 0.00 H new ATOM 1142 N ILE A 75 10.761 -5.622 -5.742 1.00 0.00 N ATOM 1143 CA ILE A 75 9.721 -5.540 -4.718 1.00 0.00 C ATOM 1144 C ILE A 75 9.235 -4.099 -4.561 1.00 0.00 C ATOM 1145 O ILE A 75 9.992 -3.216 -4.159 1.00 0.00 O ATOM 1146 CB ILE A 75 10.208 -6.116 -3.355 1.00 0.00 C ATOM 1147 CG1 ILE A 75 9.449 -5.497 -2.164 1.00 0.00 C ATOM 1148 CG2 ILE A 75 11.712 -5.928 -3.189 1.00 0.00 C ATOM 1149 CD1 ILE A 75 10.203 -5.555 -0.848 1.00 0.00 C ATOM 0 H ILE A 75 11.654 -5.210 -5.473 1.00 0.00 H new ATOM 0 HA ILE A 75 8.882 -6.154 -5.047 1.00 0.00 H new ATOM 0 HB ILE A 75 9.991 -7.184 -3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.222 -4.456 -2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.496 -6.013 -2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.026 -6.339 -2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.234 -6.445 -3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.952 -4.865 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.600 -5.099 -0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 75 10.407 -6.594 -0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.144 -5.013 -0.944 1.00 0.00 H new ATOM 1161 N CYS A 76 7.963 -3.877 -4.888 1.00 0.00 N ATOM 1162 CA CYS A 76 7.364 -2.550 -4.792 1.00 0.00 C ATOM 1163 C CYS A 76 6.226 -2.533 -3.777 1.00 0.00 C ATOM 1164 O CYS A 76 5.710 -3.581 -3.393 1.00 0.00 O ATOM 1165 CB CYS A 76 6.843 -2.108 -6.162 1.00 0.00 C ATOM 1166 SG CYS A 76 5.487 -3.120 -6.799 1.00 0.00 S ATOM 0 H CYS A 76 7.328 -4.602 -5.222 1.00 0.00 H new ATOM 0 HA CYS A 76 8.134 -1.856 -4.456 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.509 -1.073 -6.095 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.666 -2.131 -6.876 1.00 0.00 H new ATOM 0 HG CYS A 76 5.148 -4.003 -5.907 1.00 0.00 H new ATOM 1172 N GLY A 77 5.836 -1.337 -3.350 1.00 0.00 N ATOM 1173 CA GLY A 77 4.755 -1.212 -2.388 1.00 0.00 C ATOM 1174 C GLY A 77 3.584 -0.433 -2.948 1.00 0.00 C ATOM 1175 O GLY A 77 3.766 0.414 -3.822 1.00 0.00 O ATOM 0 H GLY A 77 6.247 -0.454 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.420 -2.205 -2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.124 -0.716 -1.490 1.00 0.00 H new ATOM 1179 N VAL A 78 2.375 -0.710 -2.458 1.00 0.00 N ATOM 1180 CA VAL A 78 1.199 -0.006 -2.950 1.00 0.00 C ATOM 1181 C VAL A 78 0.423 0.662 -1.819 1.00 0.00 C ATOM 1182 O VAL A 78 0.300 0.115 -0.723 1.00 0.00 O ATOM 1183 CB VAL A 78 0.253 -0.950 -3.730 1.00 0.00 C ATOM 1184 CG1 VAL A 78 -1.067 -0.268 -4.078 1.00 0.00 C ATOM 1185 CG2 VAL A 78 0.936 -1.481 -4.982 1.00 0.00 C ATOM 0 H VAL A 78 2.189 -1.404 -1.734 1.00 0.00 H new ATOM 0 HA VAL A 78 1.567 0.765 -3.627 1.00 0.00 H new ATOM 0 HB VAL A 78 0.021 -1.793 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.703 -0.964 -4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.570 0.040 -3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.872 0.608 -4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.254 -2.143 -5.516 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.212 -0.647 -5.627 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.832 -2.034 -4.701 1.00 0.00 H new ATOM 1195 N LEU A 79 -0.114 1.844 -2.109 1.00 0.00 N ATOM 1196 CA LEU A 79 -0.903 2.594 -1.132 1.00 0.00 C ATOM 1197 C LEU A 79 -2.167 3.143 -1.781 1.00 0.00 C ATOM 1198 O LEU A 79 -2.104 4.063 -2.591 1.00 0.00 O ATOM 1199 CB LEU A 79 -0.095 3.750 -0.527 1.00 0.00 C ATOM 1200 CG LEU A 79 1.406 3.737 -0.814 1.00 0.00 C ATOM 1201 CD1 LEU A 79 1.672 3.928 -2.301 1.00 0.00 C ATOM 1202 CD2 LEU A 79 2.102 4.821 -0.004 1.00 0.00 C ATOM 0 H LEU A 79 -0.018 2.305 -3.014 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.173 1.906 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.508 4.689 -0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.239 3.742 0.553 1.00 0.00 H new ATOM 0 HG LEU A 79 1.807 2.767 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.747 3.916 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.200 3.121 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.260 4.884 -2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.171 4.803 -0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.695 5.795 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.940 4.642 1.059 1.00 0.00 H new ATOM 1214 N ILE A 80 -3.314 2.582 -1.421 1.00 0.00 N ATOM 1215 CA ILE A 80 -4.584 3.037 -1.983 1.00 0.00 C ATOM 1216 C ILE A 80 -5.321 3.954 -1.012 1.00 0.00 C ATOM 1217 O ILE A 80 -5.628 3.567 0.115 1.00 0.00 O ATOM 1218 CB ILE A 80 -5.511 1.865 -2.394 1.00 0.00 C ATOM 1219 CG1 ILE A 80 -4.868 0.517 -2.083 1.00 0.00 C ATOM 1220 CG2 ILE A 80 -5.846 1.951 -3.876 1.00 0.00 C ATOM 1221 CD1 ILE A 80 -5.731 -0.666 -2.467 1.00 0.00 C ATOM 0 H ILE A 80 -3.394 1.819 -0.749 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.331 3.594 -2.885 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.430 1.946 -1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.916 0.448 -2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.648 0.465 -1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.498 1.121 -4.150 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.353 2.894 -4.080 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.927 1.899 -4.460 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.212 -1.591 -2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.674 -0.621 -1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.930 -0.639 -3.538 1.00 0.00 H new ATOM 1233 N THR A 81 -5.589 5.175 -1.462 1.00 0.00 N ATOM 1234 CA THR A 81 -6.277 6.169 -0.644 1.00 0.00 C ATOM 1235 C THR A 81 -7.323 6.924 -1.463 1.00 0.00 C ATOM 1236 O THR A 81 -7.592 6.571 -2.604 1.00 0.00 O ATOM 1237 CB THR A 81 -5.267 7.142 -0.031 1.00 0.00 C ATOM 1238 OG1 THR A 81 -5.902 8.341 0.370 1.00 0.00 O ATOM 1239 CG2 THR A 81 -4.141 7.513 -0.966 1.00 0.00 C ATOM 0 H THR A 81 -5.339 5.502 -2.395 1.00 0.00 H new ATOM 0 HA THR A 81 -6.795 5.649 0.162 1.00 0.00 H new ATOM 0 HB THR A 81 -4.846 6.611 0.823 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.302 8.850 0.954 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.465 8.205 -0.464 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.594 6.614 -1.252 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.550 7.988 -1.858 1.00 0.00 H new ATOM 1247 N ASP A 82 -7.919 7.955 -0.871 1.00 0.00 N ATOM 1248 CA ASP A 82 -8.944 8.741 -1.548 1.00 0.00 C ATOM 1249 C ASP A 82 -8.321 9.810 -2.439 1.00 0.00 C ATOM 1250 O ASP A 82 -7.120 10.069 -2.370 1.00 0.00 O ATOM 1251 CB ASP A 82 -9.867 9.392 -0.516 1.00 0.00 C ATOM 1252 CG ASP A 82 -11.197 9.815 -1.109 1.00 0.00 C ATOM 1253 OD1 ASP A 82 -12.094 8.953 -1.226 1.00 0.00 O ATOM 1254 OD2 ASP A 82 -11.341 11.005 -1.457 1.00 0.00 O ATOM 0 H ASP A 82 -7.709 8.265 0.078 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.524 8.070 -2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.044 8.692 0.301 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.371 10.263 -0.088 1.00 0.00 H new ATOM 1259 N LYS A 83 -9.148 10.429 -3.275 1.00 0.00 N ATOM 1260 CA LYS A 83 -8.683 11.474 -4.179 1.00 0.00 C ATOM 1261 C LYS A 83 -8.068 12.637 -3.405 1.00 0.00 C ATOM 1262 O LYS A 83 -7.307 13.429 -3.961 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.834 11.977 -5.050 1.00 0.00 C ATOM 1264 CG LYS A 83 -9.378 12.600 -6.361 1.00 0.00 C ATOM 1265 CD LYS A 83 -10.101 11.996 -7.557 1.00 0.00 C ATOM 1266 CE LYS A 83 -11.058 12.992 -8.191 1.00 0.00 C ATOM 1267 NZ LYS A 83 -12.415 12.927 -7.578 1.00 0.00 N ATOM 0 H LYS A 83 -10.145 10.225 -3.345 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.914 11.044 -4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.505 11.146 -5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.409 12.713 -4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.556 13.675 -6.334 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.303 12.458 -6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.371 11.669 -8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.653 11.111 -7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.658 14.000 -8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.133 12.793 -9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.037 13.622 -8.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.808 11.972 -7.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.348 13.142 -6.563 1.00 0.00 H new ATOM 1281 N GLN A 84 -8.394 12.733 -2.117 1.00 0.00 N ATOM 1282 CA GLN A 84 -7.863 13.797 -1.270 1.00 0.00 C ATOM 1283 C GLN A 84 -6.533 13.379 -0.648 1.00 0.00 C ATOM 1284 O GLN A 84 -6.242 13.701 0.505 1.00 0.00 O ATOM 1285 CB GLN A 84 -8.867 14.154 -0.172 1.00 0.00 C ATOM 1286 CG GLN A 84 -9.777 15.316 -0.535 1.00 0.00 C ATOM 1287 CD GLN A 84 -10.195 16.129 0.675 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -11.012 15.687 1.483 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -9.635 17.326 0.804 1.00 0.00 N ATOM 0 H GLN A 84 -9.022 12.087 -1.639 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.693 14.676 -1.892 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.479 13.279 0.048 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.323 14.400 0.740 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.265 15.965 -1.245 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -10.666 14.934 -1.036 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.962 17.652 0.110 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -9.877 17.920 1.597 1.00 0.00 H new ATOM 1298 N TYR A 85 -5.730 12.657 -1.423 1.00 0.00 N ATOM 1299 CA TYR A 85 -4.433 12.186 -0.975 1.00 0.00 C ATOM 1300 C TYR A 85 -3.380 12.488 -2.033 1.00 0.00 C ATOM 1301 O TYR A 85 -3.073 11.643 -2.871 1.00 0.00 O ATOM 1302 CB TYR A 85 -4.490 10.682 -0.722 1.00 0.00 C ATOM 1303 CG TYR A 85 -4.081 10.276 0.671 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -4.944 10.443 1.743 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -2.838 9.708 0.908 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -4.582 10.055 3.014 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -2.465 9.319 2.177 1.00 0.00 C ATOM 1308 CZ TYR A 85 -3.340 9.493 3.228 1.00 0.00 C ATOM 1309 OH TYR A 85 -2.973 9.107 4.495 1.00 0.00 O ATOM 0 H TYR A 85 -5.964 12.384 -2.378 1.00 0.00 H new ATOM 0 HA TYR A 85 -4.168 12.697 -0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.505 10.331 -0.908 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -3.843 10.179 -1.440 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -5.916 10.884 1.579 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.152 9.568 0.086 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.266 10.190 3.839 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.493 8.880 2.347 1.00 0.00 H new ATOM 0 HH TYR A 85 -3.768 9.064 5.067 1.00 0.00 H new ATOM 1319 N PRO A 86 -2.818 13.703 -2.023 1.00 0.00 N ATOM 1320 CA PRO A 86 -1.807 14.100 -2.997 1.00 0.00 C ATOM 1321 C PRO A 86 -0.698 13.059 -3.136 1.00 0.00 C ATOM 1322 O PRO A 86 -0.435 12.285 -2.215 1.00 0.00 O ATOM 1323 CB PRO A 86 -1.261 15.424 -2.448 1.00 0.00 C ATOM 1324 CG PRO A 86 -1.847 15.579 -1.082 1.00 0.00 C ATOM 1325 CD PRO A 86 -3.118 14.784 -1.078 1.00 0.00 C ATOM 0 HA PRO A 86 -2.224 14.197 -3.999 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.172 15.409 -2.405 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.543 16.258 -3.090 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.158 15.215 -0.320 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.043 16.628 -0.860 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.354 14.401 -0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -3.971 15.381 -1.401 1.00 0.00 H new ATOM 1333 N VAL A 87 -0.069 13.035 -4.305 1.00 0.00 N ATOM 1334 CA VAL A 87 0.997 12.081 -4.599 1.00 0.00 C ATOM 1335 C VAL A 87 2.252 12.339 -3.768 1.00 0.00 C ATOM 1336 O VAL A 87 3.038 11.425 -3.521 1.00 0.00 O ATOM 1337 CB VAL A 87 1.377 12.123 -6.091 1.00 0.00 C ATOM 1338 CG1 VAL A 87 2.246 10.931 -6.459 1.00 0.00 C ATOM 1339 CG2 VAL A 87 0.131 12.171 -6.962 1.00 0.00 C ATOM 0 H VAL A 87 -0.281 13.672 -5.073 1.00 0.00 H new ATOM 0 HA VAL A 87 0.605 11.097 -4.340 1.00 0.00 H new ATOM 0 HB VAL A 87 1.953 13.031 -6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.503 10.981 -7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.159 10.948 -5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.701 10.008 -6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.422 12.200 -8.012 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.476 11.284 -6.778 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.447 13.063 -6.721 1.00 0.00 H new ATOM 1349 N ARG A 88 2.448 13.585 -3.357 1.00 0.00 N ATOM 1350 CA ARG A 88 3.627 13.951 -2.574 1.00 0.00 C ATOM 1351 C ARG A 88 3.718 13.139 -1.284 1.00 0.00 C ATOM 1352 O ARG A 88 4.704 12.438 -1.063 1.00 0.00 O ATOM 1353 CB ARG A 88 3.637 15.452 -2.273 1.00 0.00 C ATOM 1354 CG ARG A 88 3.082 16.294 -3.407 1.00 0.00 C ATOM 1355 CD ARG A 88 3.983 17.474 -3.732 1.00 0.00 C ATOM 1356 NE ARG A 88 4.338 18.239 -2.537 1.00 0.00 N ATOM 1357 CZ ARG A 88 5.494 18.116 -1.885 1.00 0.00 C ATOM 1358 NH1 ARG A 88 6.415 17.251 -2.295 1.00 0.00 N ATOM 1359 NH2 ARG A 88 5.728 18.860 -0.813 1.00 0.00 N ATOM 0 H ARG A 88 1.811 14.358 -3.550 1.00 0.00 H new ATOM 0 HA ARG A 88 4.506 13.716 -3.174 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.054 15.639 -1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.659 15.767 -2.062 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.963 15.673 -4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.091 16.658 -3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.891 17.114 -4.215 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.481 18.128 -4.445 1.00 0.00 H new ATOM 0 HE ARG A 88 3.657 18.909 -2.180 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.241 16.672 -3.117 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.296 17.166 -1.788 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.024 19.524 -0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.612 18.768 -0.312 1.00 0.00 H new ATOM 1373 N PRO A 89 2.696 13.201 -0.412 1.00 0.00 N ATOM 1374 CA PRO A 89 2.705 12.439 0.837 1.00 0.00 C ATOM 1375 C PRO A 89 2.634 10.947 0.574 1.00 0.00 C ATOM 1376 O PRO A 89 3.137 10.144 1.358 1.00 0.00 O ATOM 1377 CB PRO A 89 1.455 12.925 1.572 1.00 0.00 C ATOM 1378 CG PRO A 89 0.556 13.425 0.495 1.00 0.00 C ATOM 1379 CD PRO A 89 1.458 13.988 -0.569 1.00 0.00 C ATOM 0 HA PRO A 89 3.619 12.591 1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.987 12.118 2.135 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.696 13.713 2.285 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.062 12.620 0.097 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.122 14.189 0.876 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.029 13.870 -1.564 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.637 15.053 -0.423 1.00 0.00 H new ATOM 1387 N ALA A 90 2.040 10.580 -0.556 1.00 0.00 N ATOM 1388 CA ALA A 90 1.953 9.184 -0.931 1.00 0.00 C ATOM 1389 C ALA A 90 3.351 8.678 -1.223 1.00 0.00 C ATOM 1390 O ALA A 90 3.678 7.522 -0.958 1.00 0.00 O ATOM 1391 CB ALA A 90 1.043 9.000 -2.137 1.00 0.00 C ATOM 0 H ALA A 90 1.616 11.228 -1.220 1.00 0.00 H new ATOM 0 HA ALA A 90 1.519 8.610 -0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.995 7.943 -2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.043 9.360 -1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.439 9.565 -2.981 1.00 0.00 H new ATOM 1397 N TYR A 91 4.189 9.577 -1.735 1.00 0.00 N ATOM 1398 CA TYR A 91 5.568 9.238 -2.019 1.00 0.00 C ATOM 1399 C TYR A 91 6.301 9.033 -0.701 1.00 0.00 C ATOM 1400 O TYR A 91 7.036 8.062 -0.525 1.00 0.00 O ATOM 1401 CB TYR A 91 6.242 10.341 -2.843 1.00 0.00 C ATOM 1402 CG TYR A 91 7.740 10.170 -2.986 1.00 0.00 C ATOM 1403 CD1 TYR A 91 8.280 8.989 -3.476 1.00 0.00 C ATOM 1404 CD2 TYR A 91 8.611 11.192 -2.629 1.00 0.00 C ATOM 1405 CE1 TYR A 91 9.646 8.829 -3.607 1.00 0.00 C ATOM 1406 CE2 TYR A 91 9.979 11.040 -2.757 1.00 0.00 C ATOM 1407 CZ TYR A 91 10.491 9.857 -3.247 1.00 0.00 C ATOM 1408 OH TYR A 91 11.853 9.703 -3.375 1.00 0.00 O ATOM 0 H TYR A 91 3.932 10.539 -1.958 1.00 0.00 H new ATOM 0 HA TYR A 91 5.603 8.321 -2.607 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.792 10.366 -3.836 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.039 11.305 -2.377 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.621 8.182 -3.760 1.00 0.00 H new ATOM 0 HD2 TYR A 91 8.213 12.120 -2.245 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.050 7.903 -3.990 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.643 11.843 -2.475 1.00 0.00 H new ATOM 0 HH TYR A 91 12.304 10.521 -3.079 1.00 0.00 H new ATOM 1418 N THR A 92 6.067 9.950 0.238 1.00 0.00 N ATOM 1419 CA THR A 92 6.681 9.865 1.553 1.00 0.00 C ATOM 1420 C THR A 92 6.213 8.609 2.268 1.00 0.00 C ATOM 1421 O THR A 92 6.985 7.943 2.958 1.00 0.00 O ATOM 1422 CB THR A 92 6.317 11.088 2.386 1.00 0.00 C ATOM 1423 OG1 THR A 92 6.585 12.282 1.675 1.00 0.00 O ATOM 1424 CG2 THR A 92 7.056 11.157 3.703 1.00 0.00 C ATOM 0 H THR A 92 5.457 10.757 0.108 1.00 0.00 H new ATOM 0 HA THR A 92 7.763 9.827 1.427 1.00 0.00 H new ATOM 0 HB THR A 92 5.252 10.987 2.593 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.342 13.054 2.228 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.750 12.051 4.246 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.822 10.274 4.298 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.129 11.195 3.516 1.00 0.00 H new ATOM 1432 N LEU A 93 4.935 8.292 2.098 1.00 0.00 N ATOM 1433 CA LEU A 93 4.357 7.116 2.727 1.00 0.00 C ATOM 1434 C LEU A 93 5.035 5.860 2.226 1.00 0.00 C ATOM 1435 O LEU A 93 5.628 5.109 3.003 1.00 0.00 O ATOM 1436 CB LEU A 93 2.852 7.041 2.467 1.00 0.00 C ATOM 1437 CG LEU A 93 2.069 6.139 3.427 1.00 0.00 C ATOM 1438 CD1 LEU A 93 0.590 6.154 3.079 1.00 0.00 C ATOM 1439 CD2 LEU A 93 2.609 4.715 3.395 1.00 0.00 C ATOM 0 H LEU A 93 4.282 8.833 1.531 1.00 0.00 H new ATOM 0 HA LEU A 93 4.516 7.197 3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.439 8.048 2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.692 6.686 1.449 1.00 0.00 H new ATOM 0 HG LEU A 93 2.193 6.527 4.438 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.047 5.509 3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.208 7.172 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.452 5.792 2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.037 4.094 4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.519 4.314 2.385 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.658 4.717 3.692 1.00 0.00 H new ATOM 1451 N LEU A 94 4.964 5.637 0.924 1.00 0.00 N ATOM 1452 CA LEU A 94 5.593 4.472 0.339 1.00 0.00 C ATOM 1453 C LEU A 94 7.115 4.582 0.445 1.00 0.00 C ATOM 1454 O LEU A 94 7.836 3.619 0.172 1.00 0.00 O ATOM 1455 CB LEU A 94 5.167 4.300 -1.120 1.00 0.00 C ATOM 1456 CG LEU A 94 5.000 2.847 -1.589 1.00 0.00 C ATOM 1457 CD1 LEU A 94 6.357 2.185 -1.757 1.00 0.00 C ATOM 1458 CD2 LEU A 94 4.136 2.052 -0.619 1.00 0.00 C ATOM 0 H LEU A 94 4.481 6.243 0.260 1.00 0.00 H new ATOM 0 HA LEU A 94 5.268 3.591 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.223 4.823 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.906 4.787 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 94 4.495 2.861 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.221 1.156 -2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.939 2.732 -2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.885 2.191 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.035 1.027 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.604 2.048 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.150 2.511 -0.550 1.00 0.00 H new ATOM 1470 N ASN A 95 7.604 5.753 0.865 1.00 0.00 N ATOM 1471 CA ASN A 95 9.042 5.956 1.017 1.00 0.00 C ATOM 1472 C ASN A 95 9.544 5.283 2.288 1.00 0.00 C ATOM 1473 O ASN A 95 10.438 4.436 2.246 1.00 0.00 O ATOM 1474 CB ASN A 95 9.384 7.450 1.041 1.00 0.00 C ATOM 1475 CG ASN A 95 10.866 7.704 1.239 1.00 0.00 C ATOM 1476 OD1 ASN A 95 11.462 7.243 2.213 1.00 0.00 O ATOM 1477 ND2 ASN A 95 11.469 8.440 0.312 1.00 0.00 N ATOM 0 H ASN A 95 7.031 6.563 1.102 1.00 0.00 H new ATOM 0 HA ASN A 95 9.539 5.503 0.159 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.062 7.908 0.106 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.826 7.934 1.842 1.00 0.00 H new ATOM 0 HD21 ASN A 95 12.465 8.643 0.391 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.936 8.802 -0.479 1.00 0.00 H new ATOM 1484 N LYS A 96 8.959 5.664 3.417 1.00 0.00 N ATOM 1485 CA LYS A 96 9.340 5.097 4.704 1.00 0.00 C ATOM 1486 C LYS A 96 9.025 3.606 4.754 1.00 0.00 C ATOM 1487 O LYS A 96 9.805 2.817 5.283 1.00 0.00 O ATOM 1488 CB LYS A 96 8.616 5.826 5.839 1.00 0.00 C ATOM 1489 CG LYS A 96 9.469 6.878 6.527 1.00 0.00 C ATOM 1490 CD LYS A 96 10.371 6.259 7.583 1.00 0.00 C ATOM 1491 CE LYS A 96 11.103 7.323 8.384 1.00 0.00 C ATOM 1492 NZ LYS A 96 11.848 6.740 9.534 1.00 0.00 N ATOM 0 H LYS A 96 8.219 6.364 3.467 1.00 0.00 H new ATOM 0 HA LYS A 96 10.415 5.226 4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.719 6.301 5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.288 5.095 6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.077 7.397 5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.824 7.625 6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.775 5.642 8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.095 5.601 7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.798 7.853 7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.386 8.058 8.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.333 7.499 10.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.182 6.256 10.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.550 6.058 9.183 1.00 0.00 H new ATOM 1506 N ILE A 97 7.874 3.229 4.204 1.00 0.00 N ATOM 1507 CA ILE A 97 7.450 1.841 4.189 1.00 0.00 C ATOM 1508 C ILE A 97 8.448 0.954 3.456 1.00 0.00 C ATOM 1509 O ILE A 97 8.938 -0.021 4.011 1.00 0.00 O ATOM 1510 CB ILE A 97 6.056 1.722 3.554 1.00 0.00 C ATOM 1511 CG1 ILE A 97 5.360 0.443 3.972 1.00 0.00 C ATOM 1512 CG2 ILE A 97 6.111 1.805 2.040 1.00 0.00 C ATOM 1513 CD1 ILE A 97 4.013 0.301 3.318 1.00 0.00 C ATOM 0 H ILE A 97 7.218 3.873 3.762 1.00 0.00 H new ATOM 0 HA ILE A 97 7.403 1.495 5.221 1.00 0.00 H new ATOM 0 HB ILE A 97 5.479 2.571 3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.983 -0.412 3.710 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.241 0.431 5.055 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.103 1.716 1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.539 2.763 1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.730 0.996 1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.547 -0.629 3.644 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.381 1.143 3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.134 0.286 2.235 1.00 0.00 H new ATOM 1525 N LEU A 98 8.752 1.293 2.207 1.00 0.00 N ATOM 1526 CA LEU A 98 9.701 0.508 1.425 1.00 0.00 C ATOM 1527 C LEU A 98 11.018 0.370 2.179 1.00 0.00 C ATOM 1528 O LEU A 98 11.542 -0.734 2.340 1.00 0.00 O ATOM 1529 CB LEU A 98 9.929 1.147 0.055 1.00 0.00 C ATOM 1530 CG LEU A 98 9.083 0.558 -1.073 1.00 0.00 C ATOM 1531 CD1 LEU A 98 9.190 1.410 -2.327 1.00 0.00 C ATOM 1532 CD2 LEU A 98 9.503 -0.876 -1.360 1.00 0.00 C ATOM 0 H LEU A 98 8.360 2.098 1.718 1.00 0.00 H new ATOM 0 HA LEU A 98 9.284 -0.487 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.721 2.214 0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.982 1.045 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 98 8.041 0.554 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.580 0.972 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.837 2.419 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 98 10.230 1.451 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.890 -1.280 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 98 10.552 -0.896 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.368 -1.481 -0.463 1.00 0.00 H new ATOM 1544 N ASP A 99 11.526 1.493 2.678 1.00 0.00 N ATOM 1545 CA ASP A 99 12.758 1.487 3.452 1.00 0.00 C ATOM 1546 C ASP A 99 12.525 0.719 4.742 1.00 0.00 C ATOM 1547 O ASP A 99 13.442 0.124 5.311 1.00 0.00 O ATOM 1548 CB ASP A 99 13.209 2.916 3.759 1.00 0.00 C ATOM 1549 CG ASP A 99 14.600 2.966 4.360 1.00 0.00 C ATOM 1550 OD1 ASP A 99 14.744 2.621 5.552 1.00 0.00 O ATOM 1551 OD2 ASP A 99 15.545 3.348 3.639 1.00 0.00 O ATOM 0 H ASP A 99 11.104 2.414 2.560 1.00 0.00 H new ATOM 0 HA ASP A 99 13.546 1.004 2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.191 3.505 2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.502 3.377 4.448 1.00 0.00 H new ATOM 1556 N GLU A 100 11.271 0.730 5.182 1.00 0.00 N ATOM 1557 CA GLU A 100 10.864 0.033 6.387 1.00 0.00 C ATOM 1558 C GLU A 100 10.732 -1.460 6.109 1.00 0.00 C ATOM 1559 O GLU A 100 10.929 -2.286 7.001 1.00 0.00 O ATOM 1560 CB GLU A 100 9.548 0.612 6.897 1.00 0.00 C ATOM 1561 CG GLU A 100 9.009 -0.090 8.132 1.00 0.00 C ATOM 1562 CD GLU A 100 9.988 -0.070 9.288 1.00 0.00 C ATOM 1563 OE1 GLU A 100 10.312 1.034 9.773 1.00 0.00 O ATOM 1564 OE2 GLU A 100 10.432 -1.159 9.708 1.00 0.00 O ATOM 0 H GLU A 100 10.513 1.223 4.711 1.00 0.00 H new ATOM 0 HA GLU A 100 11.623 0.168 7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.690 1.669 7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.804 0.553 6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.079 0.388 8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.769 -1.123 7.882 1.00 0.00 H new ATOM 1571 N TYR A 101 10.428 -1.802 4.858 1.00 0.00 N ATOM 1572 CA TYR A 101 10.310 -3.193 4.464 1.00 0.00 C ATOM 1573 C TYR A 101 11.691 -3.832 4.460 1.00 0.00 C ATOM 1574 O TYR A 101 11.841 -5.020 4.735 1.00 0.00 O ATOM 1575 CB TYR A 101 9.676 -3.335 3.081 1.00 0.00 C ATOM 1576 CG TYR A 101 9.282 -4.763 2.774 1.00 0.00 C ATOM 1577 CD1 TYR A 101 10.189 -5.644 2.200 1.00 0.00 C ATOM 1578 CD2 TYR A 101 8.010 -5.234 3.074 1.00 0.00 C ATOM 1579 CE1 TYR A 101 9.842 -6.955 1.934 1.00 0.00 C ATOM 1580 CE2 TYR A 101 7.653 -6.543 2.809 1.00 0.00 C ATOM 1581 CZ TYR A 101 8.573 -7.399 2.239 1.00 0.00 C ATOM 1582 OH TYR A 101 8.225 -8.704 1.978 1.00 0.00 O ATOM 0 H TYR A 101 10.261 -1.133 4.107 1.00 0.00 H new ATOM 0 HA TYR A 101 9.662 -3.696 5.182 1.00 0.00 H new ATOM 0 HB2 TYR A 101 8.795 -2.696 3.020 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.377 -2.983 2.324 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.183 -5.299 1.957 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.288 -4.567 3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.561 -7.628 1.490 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.660 -6.894 3.047 1.00 0.00 H new ATOM 0 HH TYR A 101 7.555 -9.000 2.629 1.00 0.00 H new ATOM 1592 N LEU A 102 12.700 -3.019 4.142 1.00 0.00 N ATOM 1593 CA LEU A 102 14.080 -3.493 4.099 1.00 0.00 C ATOM 1594 C LEU A 102 14.618 -3.762 5.500 1.00 0.00 C ATOM 1595 O LEU A 102 15.423 -4.669 5.697 1.00 0.00 O ATOM 1596 CB LEU A 102 14.989 -2.481 3.392 1.00 0.00 C ATOM 1597 CG LEU A 102 14.322 -1.635 2.306 1.00 0.00 C ATOM 1598 CD1 LEU A 102 15.352 -0.764 1.606 1.00 0.00 C ATOM 1599 CD2 LEU A 102 13.599 -2.521 1.303 1.00 0.00 C ATOM 0 H LEU A 102 12.586 -2.032 3.911 1.00 0.00 H new ATOM 0 HA LEU A 102 14.079 -4.427 3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 102 15.408 -1.811 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.824 -3.021 2.945 1.00 0.00 H new ATOM 0 HG LEU A 102 13.585 -0.986 2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.862 -0.168 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 102 15.823 -0.102 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.111 -1.397 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.132 -1.900 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.313 -3.197 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.833 -3.102 1.817 1.00 0.00 H new ATOM 1611 N VAL A 103 14.179 -2.972 6.473 1.00 0.00 N ATOM 1612 CA VAL A 103 14.641 -3.153 7.844 1.00 0.00 C ATOM 1613 C VAL A 103 14.239 -4.520 8.371 1.00 0.00 C ATOM 1614 O VAL A 103 15.059 -5.245 8.935 1.00 0.00 O ATOM 1615 CB VAL A 103 14.090 -2.071 8.791 1.00 0.00 C ATOM 1616 CG1 VAL A 103 14.128 -2.567 10.229 1.00 0.00 C ATOM 1617 CG2 VAL A 103 14.877 -0.777 8.642 1.00 0.00 C ATOM 0 H VAL A 103 13.513 -2.210 6.342 1.00 0.00 H new ATOM 0 HA VAL A 103 15.727 -3.069 7.819 1.00 0.00 H new ATOM 0 HB VAL A 103 13.053 -1.866 8.524 1.00 0.00 H new ATOM 0 HG11 VAL A 103 13.736 -1.795 10.891 1.00 0.00 H new ATOM 0 HG12 VAL A 103 13.519 -3.466 10.320 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.157 -2.796 10.508 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.472 -0.025 9.319 1.00 0.00 H new ATOM 0 HG22 VAL A 103 15.924 -0.958 8.885 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.799 -0.420 7.615 1.00 0.00 H new ATOM 1627 N ALA A 104 12.972 -4.870 8.181 1.00 0.00 N ATOM 1628 CA ALA A 104 12.456 -6.157 8.632 1.00 0.00 C ATOM 1629 C ALA A 104 13.391 -7.297 8.230 1.00 0.00 C ATOM 1630 O ALA A 104 13.336 -8.388 8.797 1.00 0.00 O ATOM 1631 CB ALA A 104 11.064 -6.385 8.065 1.00 0.00 C ATOM 0 H ALA A 104 12.282 -4.279 7.717 1.00 0.00 H new ATOM 0 HA ALA A 104 12.398 -6.142 9.720 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.685 -7.348 8.406 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.398 -5.592 8.405 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.109 -6.378 6.976 1.00 0.00 H new ATOM 1637 N HIS A 105 14.245 -7.034 7.244 1.00 0.00 N ATOM 1638 CA HIS A 105 15.185 -8.027 6.759 1.00 0.00 C ATOM 1639 C HIS A 105 16.114 -7.423 5.703 1.00 0.00 C ATOM 1640 O HIS A 105 15.649 -6.792 4.756 1.00 0.00 O ATOM 1641 CB HIS A 105 14.433 -9.223 6.171 1.00 0.00 C ATOM 1642 CG HIS A 105 13.186 -8.850 5.421 1.00 0.00 C ATOM 1643 ND1 HIS A 105 12.355 -9.781 4.834 1.00 0.00 N ATOM 1644 CD2 HIS A 105 12.628 -7.639 5.165 1.00 0.00 C ATOM 1645 CE1 HIS A 105 11.344 -9.162 4.252 1.00 0.00 C ATOM 1646 NE2 HIS A 105 11.486 -7.862 4.437 1.00 0.00 N ATOM 0 H HIS A 105 14.301 -6.135 6.766 1.00 0.00 H new ATOM 0 HA HIS A 105 15.790 -8.365 7.600 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.100 -9.765 5.500 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.169 -9.906 6.978 1.00 0.00 H new ATOM 0 HD2 HIS A 105 13.012 -6.679 5.476 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.537 -9.639 3.715 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.851 -7.141 4.095 1.00 0.00 H new ATOM 1655 N PRO A 106 17.442 -7.611 5.856 1.00 0.00 N ATOM 1656 CA PRO A 106 18.453 -7.091 4.935 1.00 0.00 C ATOM 1657 C PRO A 106 17.959 -6.932 3.496 1.00 0.00 C ATOM 1658 O PRO A 106 17.102 -7.683 3.028 1.00 0.00 O ATOM 1659 CB PRO A 106 19.540 -8.155 5.024 1.00 0.00 C ATOM 1660 CG PRO A 106 19.464 -8.671 6.429 1.00 0.00 C ATOM 1661 CD PRO A 106 18.079 -8.352 6.956 1.00 0.00 C ATOM 0 HA PRO A 106 18.772 -6.084 5.203 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.371 -8.953 4.301 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.523 -7.734 4.811 1.00 0.00 H new ATOM 0 HG2 PRO A 106 19.646 -9.745 6.453 1.00 0.00 H new ATOM 0 HG3 PRO A 106 20.228 -8.204 7.051 1.00 0.00 H new ATOM 0 HD2 PRO A 106 17.526 -9.259 7.199 1.00 0.00 H new ATOM 0 HD3 PRO A 106 18.126 -7.754 7.866 1.00 0.00 H new ATOM 1669 N LYS A 107 18.509 -5.933 2.809 1.00 0.00 N ATOM 1670 CA LYS A 107 18.139 -5.633 1.428 1.00 0.00 C ATOM 1671 C LYS A 107 18.065 -6.888 0.559 1.00 0.00 C ATOM 1672 O LYS A 107 17.084 -7.109 -0.148 1.00 0.00 O ATOM 1673 CB LYS A 107 19.135 -4.644 0.820 1.00 0.00 C ATOM 1674 CG LYS A 107 18.583 -3.878 -0.371 1.00 0.00 C ATOM 1675 CD LYS A 107 19.694 -3.407 -1.295 1.00 0.00 C ATOM 1676 CE LYS A 107 19.432 -2.002 -1.812 1.00 0.00 C ATOM 1677 NZ LYS A 107 18.201 -1.937 -2.647 1.00 0.00 N ATOM 0 H LYS A 107 19.221 -5.311 3.192 1.00 0.00 H new ATOM 0 HA LYS A 107 17.143 -5.191 1.452 1.00 0.00 H new ATOM 0 HB2 LYS A 107 19.443 -3.933 1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 107 20.029 -5.186 0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 107 17.893 -4.514 -0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 107 18.012 -3.019 -0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 107 20.645 -3.428 -0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 107 19.785 -4.094 -2.136 1.00 0.00 H new ATOM 0 HE2 LYS A 107 19.335 -1.317 -0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 107 20.287 -1.666 -2.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 18.086 -0.974 -3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 18.282 -2.608 -3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 17.374 -2.184 -2.066 1.00 0.00 H new ATOM 1691 N GLU A 108 19.110 -7.701 0.597 1.00 0.00 N ATOM 1692 CA GLU A 108 19.147 -8.917 -0.205 1.00 0.00 C ATOM 1693 C GLU A 108 18.308 -10.025 0.421 1.00 0.00 C ATOM 1694 O GLU A 108 17.811 -10.906 -0.281 1.00 0.00 O ATOM 1695 CB GLU A 108 20.590 -9.391 -0.389 1.00 0.00 C ATOM 1696 CG GLU A 108 20.815 -10.178 -1.670 1.00 0.00 C ATOM 1697 CD GLU A 108 22.256 -10.616 -1.840 1.00 0.00 C ATOM 1698 OE1 GLU A 108 22.608 -11.704 -1.339 1.00 0.00 O ATOM 1699 OE2 GLU A 108 23.032 -9.871 -2.474 1.00 0.00 O ATOM 0 H GLU A 108 19.939 -7.544 1.170 1.00 0.00 H new ATOM 0 HA GLU A 108 18.721 -8.682 -1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 108 21.251 -8.525 -0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 108 20.871 -10.011 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 108 20.170 -11.057 -1.670 1.00 0.00 H new ATOM 0 HG3 GLU A 108 20.522 -9.567 -2.524 1.00 0.00 H new ATOM 1706 N GLU A 109 18.157 -9.987 1.741 1.00 0.00 N ATOM 1707 CA GLU A 109 17.380 -11.002 2.445 1.00 0.00 C ATOM 1708 C GLU A 109 16.025 -11.226 1.777 1.00 0.00 C ATOM 1709 O GLU A 109 15.644 -12.364 1.504 1.00 0.00 O ATOM 1710 CB GLU A 109 17.177 -10.613 3.908 1.00 0.00 C ATOM 1711 CG GLU A 109 16.397 -11.649 4.697 1.00 0.00 C ATOM 1712 CD GLU A 109 16.757 -11.655 6.171 1.00 0.00 C ATOM 1713 OE1 GLU A 109 17.926 -11.362 6.497 1.00 0.00 O ATOM 1714 OE2 GLU A 109 15.869 -11.954 6.997 1.00 0.00 O ATOM 0 H GLU A 109 18.560 -9.268 2.343 1.00 0.00 H new ATOM 0 HA GLU A 109 17.945 -11.933 2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 109 18.150 -10.465 4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.652 -9.659 3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.330 -11.455 4.589 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.585 -12.637 4.277 1.00 0.00 H new ATOM 1721 N TRP A 110 15.302 -10.141 1.505 1.00 0.00 N ATOM 1722 CA TRP A 110 14.000 -10.254 0.859 1.00 0.00 C ATOM 1723 C TRP A 110 14.169 -10.530 -0.625 1.00 0.00 C ATOM 1724 O TRP A 110 13.574 -11.461 -1.165 1.00 0.00 O ATOM 1725 CB TRP A 110 13.147 -8.992 1.057 1.00 0.00 C ATOM 1726 CG TRP A 110 13.907 -7.696 1.111 1.00 0.00 C ATOM 1727 CD1 TRP A 110 14.310 -7.036 2.235 1.00 0.00 C ATOM 1728 CD2 TRP A 110 14.327 -6.886 0.001 1.00 0.00 C ATOM 1729 NE1 TRP A 110 14.950 -5.870 1.892 1.00 0.00 N ATOM 1730 CE2 TRP A 110 14.973 -5.756 0.532 1.00 0.00 C ATOM 1731 CE3 TRP A 110 14.223 -7.005 -1.386 1.00 0.00 C ATOM 1732 CZ2 TRP A 110 15.508 -4.753 -0.276 1.00 0.00 C ATOM 1733 CZ3 TRP A 110 14.753 -6.011 -2.185 1.00 0.00 C ATOM 1734 CH2 TRP A 110 15.388 -4.897 -1.629 1.00 0.00 C ATOM 0 H TRP A 110 15.592 -9.187 1.719 1.00 0.00 H new ATOM 0 HA TRP A 110 13.478 -11.087 1.330 1.00 0.00 H new ATOM 0 HB2 TRP A 110 12.422 -8.934 0.245 1.00 0.00 H new ATOM 0 HB3 TRP A 110 12.581 -9.099 1.982 1.00 0.00 H new ATOM 0 HD1 TRP A 110 14.149 -7.380 3.246 1.00 0.00 H new ATOM 0 HE1 TRP A 110 15.345 -5.197 2.549 1.00 0.00 H new ATOM 0 HE3 TRP A 110 13.735 -7.862 -1.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 16.000 -3.893 0.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 14.675 -6.096 -3.259 1.00 0.00 H new ATOM 0 HH2 TRP A 110 15.791 -4.136 -2.281 1.00 0.00 H new ATOM 1745 N ALA A 111 14.989 -9.712 -1.271 1.00 0.00 N ATOM 1746 CA ALA A 111 15.262 -9.837 -2.702 1.00 0.00 C ATOM 1747 C ALA A 111 14.036 -10.319 -3.479 1.00 0.00 C ATOM 1748 O ALA A 111 14.145 -11.195 -4.335 1.00 0.00 O ATOM 1749 CB ALA A 111 16.442 -10.767 -2.936 1.00 0.00 C ATOM 0 H ALA A 111 15.485 -8.943 -0.821 1.00 0.00 H new ATOM 0 HA ALA A 111 15.513 -8.844 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 111 16.633 -10.850 -4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 111 17.326 -10.366 -2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.214 -11.753 -2.530 1.00 0.00 H new ATOM 1755 N ASP A 112 12.881 -9.727 -3.156 1.00 0.00 N ATOM 1756 CA ASP A 112 11.591 -10.040 -3.785 1.00 0.00 C ATOM 1757 C ASP A 112 10.689 -10.789 -2.820 1.00 0.00 C ATOM 1758 O ASP A 112 9.493 -10.513 -2.739 1.00 0.00 O ATOM 1759 CB ASP A 112 11.741 -10.838 -5.088 1.00 0.00 C ATOM 1760 CG ASP A 112 12.546 -10.092 -6.135 1.00 0.00 C ATOM 1761 OD1 ASP A 112 12.490 -8.844 -6.151 1.00 0.00 O ATOM 1762 OD2 ASP A 112 13.232 -10.757 -6.941 1.00 0.00 O ATOM 0 H ASP A 112 12.814 -9.005 -2.439 1.00 0.00 H new ATOM 0 HA ASP A 112 11.135 -9.084 -4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 112 12.224 -11.791 -4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 112 10.753 -11.065 -5.488 1.00 0.00 H new ATOM 1767 N VAL A 113 11.267 -11.723 -2.081 1.00 0.00 N ATOM 1768 CA VAL A 113 10.517 -12.498 -1.110 1.00 0.00 C ATOM 1769 C VAL A 113 9.577 -13.486 -1.791 1.00 0.00 C ATOM 1770 O VAL A 113 9.653 -14.691 -1.554 1.00 0.00 O ATOM 1771 CB VAL A 113 9.710 -11.576 -0.175 1.00 0.00 C ATOM 1772 CG1 VAL A 113 9.067 -12.378 0.938 1.00 0.00 C ATOM 1773 CG2 VAL A 113 10.604 -10.488 0.397 1.00 0.00 C ATOM 0 H VAL A 113 12.257 -11.962 -2.137 1.00 0.00 H new ATOM 0 HA VAL A 113 11.240 -13.060 -0.519 1.00 0.00 H new ATOM 0 HB VAL A 113 8.919 -11.102 -0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 113 8.502 -11.710 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.395 -13.122 0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 113 9.841 -12.880 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 113 10.019 -9.845 1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 113 11.416 -10.944 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.019 -9.893 -0.417 1.00 0.00 H new ATOM 1920 N LYS A 123 4.570 -4.327 10.706 1.00 0.00 N ATOM 1921 CA LYS A 123 3.622 -3.681 11.607 1.00 0.00 C ATOM 1922 C LYS A 123 3.604 -2.179 11.338 1.00 0.00 C ATOM 1923 O LYS A 123 2.594 -1.507 11.541 1.00 0.00 O ATOM 1924 CB LYS A 123 3.995 -3.956 13.067 1.00 0.00 C ATOM 1925 CG LYS A 123 3.173 -5.065 13.704 1.00 0.00 C ATOM 1926 CD LYS A 123 2.186 -4.518 14.723 1.00 0.00 C ATOM 1927 CE LYS A 123 0.829 -5.195 14.605 1.00 0.00 C ATOM 1928 NZ LYS A 123 0.955 -6.674 14.479 1.00 0.00 N ATOM 0 HA LYS A 123 2.627 -4.089 11.427 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.051 -4.221 13.120 1.00 0.00 H new ATOM 0 HB3 LYS A 123 3.866 -3.041 13.645 1.00 0.00 H new ATOM 0 HG2 LYS A 123 2.633 -5.609 12.929 1.00 0.00 H new ATOM 0 HG3 LYS A 123 3.839 -5.779 14.189 1.00 0.00 H new ATOM 0 HD2 LYS A 123 2.581 -4.665 15.728 1.00 0.00 H new ATOM 0 HD3 LYS A 123 2.071 -3.444 14.579 1.00 0.00 H new ATOM 0 HE2 LYS A 123 0.226 -4.955 15.481 1.00 0.00 H new ATOM 0 HE3 LYS A 123 0.301 -4.800 13.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 0.096 -7.128 14.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 1.077 -6.928 13.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 1.780 -7.000 15.022 1.00 0.00 H new ATOM 1942 N GLN A 124 4.738 -1.672 10.858 1.00 0.00 N ATOM 1943 CA GLN A 124 4.878 -0.263 10.526 1.00 0.00 C ATOM 1944 C GLN A 124 3.871 0.135 9.463 1.00 0.00 C ATOM 1945 O GLN A 124 3.003 0.975 9.697 1.00 0.00 O ATOM 1946 CB GLN A 124 6.284 0.008 10.012 1.00 0.00 C ATOM 1947 CG GLN A 124 7.236 0.530 11.076 1.00 0.00 C ATOM 1948 CD GLN A 124 7.670 -0.548 12.050 1.00 0.00 C ATOM 1949 OE1 GLN A 124 7.540 -0.393 13.265 1.00 0.00 O ATOM 1950 NE2 GLN A 124 8.189 -1.650 11.521 1.00 0.00 N ATOM 0 H GLN A 124 5.578 -2.225 10.691 1.00 0.00 H new ATOM 0 HA GLN A 124 4.695 0.324 11.426 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.691 -0.912 9.593 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.230 0.732 9.199 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.117 0.954 10.594 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.753 1.338 11.626 1.00 0.00 H new ATOM 0 HE21 GLN A 124 8.278 -1.737 10.509 1.00 0.00 H new ATOM 0 HE22 GLN A 124 8.498 -2.410 12.127 1.00 0.00 H new ATOM 1959 N LEU A 125 3.992 -0.488 8.293 1.00 0.00 N ATOM 1960 CA LEU A 125 3.095 -0.222 7.182 1.00 0.00 C ATOM 1961 C LEU A 125 1.660 -0.173 7.672 1.00 0.00 C ATOM 1962 O LEU A 125 0.849 0.617 7.192 1.00 0.00 O ATOM 1963 CB LEU A 125 3.246 -1.325 6.132 1.00 0.00 C ATOM 1964 CG LEU A 125 2.053 -1.518 5.198 1.00 0.00 C ATOM 1965 CD1 LEU A 125 2.504 -2.161 3.898 1.00 0.00 C ATOM 1966 CD2 LEU A 125 0.984 -2.364 5.877 1.00 0.00 C ATOM 0 H LEU A 125 4.710 -1.185 8.094 1.00 0.00 H new ATOM 0 HA LEU A 125 3.349 0.741 6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.126 -1.107 5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.438 -2.267 6.646 1.00 0.00 H new ATOM 0 HG LEU A 125 1.623 -0.543 4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 125 1.645 -2.294 3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.239 -1.520 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 125 2.953 -3.132 4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.139 -2.494 5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 125 1.399 -3.339 6.131 1.00 0.00 H new ATOM 0 HD23 LEU A 125 0.648 -1.865 6.786 1.00 0.00 H new ATOM 1978 N ASP A 126 1.360 -1.036 8.632 1.00 0.00 N ATOM 1979 CA ASP A 126 0.014 -1.101 9.190 1.00 0.00 C ATOM 1980 C ASP A 126 -0.300 0.153 9.998 1.00 0.00 C ATOM 1981 O ASP A 126 -1.347 0.774 9.818 1.00 0.00 O ATOM 1982 CB ASP A 126 -0.151 -2.341 10.067 1.00 0.00 C ATOM 1983 CG ASP A 126 0.295 -3.610 9.368 1.00 0.00 C ATOM 1984 OD1 ASP A 126 -0.016 -3.768 8.168 1.00 0.00 O ATOM 1985 OD2 ASP A 126 0.954 -4.448 10.019 1.00 0.00 O ATOM 0 H ASP A 126 2.023 -1.696 9.039 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.688 -1.165 8.358 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.425 -2.213 10.983 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -1.197 -2.439 10.359 1.00 0.00 H new ATOM 1990 N THR A 127 0.613 0.515 10.890 1.00 0.00 N ATOM 1991 CA THR A 127 0.437 1.693 11.731 1.00 0.00 C ATOM 1992 C THR A 127 0.474 2.974 10.903 1.00 0.00 C ATOM 1993 O THR A 127 -0.137 3.977 11.271 1.00 0.00 O ATOM 1994 CB THR A 127 1.517 1.740 12.810 1.00 0.00 C ATOM 1995 OG1 THR A 127 1.568 0.517 13.523 1.00 0.00 O ATOM 1996 CG2 THR A 127 1.309 2.850 13.818 1.00 0.00 C ATOM 0 H THR A 127 1.484 0.009 11.050 1.00 0.00 H new ATOM 0 HA THR A 127 -0.542 1.621 12.205 1.00 0.00 H new ATOM 0 HB THR A 127 2.449 1.925 12.276 1.00 0.00 H new ATOM 0 HG1 THR A 127 1.955 -0.179 12.952 1.00 0.00 H new ATOM 0 HG21 THR A 127 2.111 2.826 14.556 1.00 0.00 H new ATOM 0 HG22 THR A 127 1.315 3.812 13.306 1.00 0.00 H new ATOM 0 HG23 THR A 127 0.351 2.712 14.319 1.00 0.00 H new ATOM 2004 N TYR A 128 1.194 2.937 9.783 1.00 0.00 N ATOM 2005 CA TYR A 128 1.309 4.099 8.911 1.00 0.00 C ATOM 2006 C TYR A 128 -0.033 4.419 8.273 1.00 0.00 C ATOM 2007 O TYR A 128 -0.541 5.533 8.390 1.00 0.00 O ATOM 2008 CB TYR A 128 2.360 3.848 7.827 1.00 0.00 C ATOM 2009 CG TYR A 128 3.693 4.500 8.116 1.00 0.00 C ATOM 2010 CD1 TYR A 128 4.477 4.080 9.183 1.00 0.00 C ATOM 2011 CD2 TYR A 128 4.166 5.538 7.323 1.00 0.00 C ATOM 2012 CE1 TYR A 128 5.695 4.675 9.452 1.00 0.00 C ATOM 2013 CE2 TYR A 128 5.384 6.138 7.584 1.00 0.00 C ATOM 2014 CZ TYR A 128 6.145 5.703 8.649 1.00 0.00 C ATOM 2015 OH TYR A 128 7.356 6.297 8.913 1.00 0.00 O ATOM 0 H TYR A 128 1.705 2.115 9.461 1.00 0.00 H new ATOM 0 HA TYR A 128 1.622 4.952 9.513 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.507 2.774 7.716 1.00 0.00 H new ATOM 0 HB3 TYR A 128 1.983 4.218 6.874 1.00 0.00 H new ATOM 0 HD1 TYR A 128 4.129 3.275 9.813 1.00 0.00 H new ATOM 0 HD2 TYR A 128 3.572 5.882 6.489 1.00 0.00 H new ATOM 0 HE1 TYR A 128 6.292 4.337 10.286 1.00 0.00 H new ATOM 0 HE2 TYR A 128 5.738 6.943 6.957 1.00 0.00 H new ATOM 0 HH TYR A 128 7.868 5.735 9.531 1.00 0.00 H new ATOM 2025 N ILE A 129 -0.603 3.426 7.606 1.00 0.00 N ATOM 2026 CA ILE A 129 -1.888 3.573 6.948 1.00 0.00 C ATOM 2027 C ILE A 129 -2.998 3.839 7.960 1.00 0.00 C ATOM 2028 O ILE A 129 -4.004 4.473 7.642 1.00 0.00 O ATOM 2029 CB ILE A 129 -2.223 2.303 6.151 1.00 0.00 C ATOM 2030 CG1 ILE A 129 -3.535 2.494 5.387 1.00 0.00 C ATOM 2031 CG2 ILE A 129 -2.295 1.097 7.078 1.00 0.00 C ATOM 2032 CD1 ILE A 129 -4.718 1.873 6.077 1.00 0.00 C ATOM 0 H ILE A 129 -0.188 2.500 7.507 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.820 4.425 6.272 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.430 2.119 5.426 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.719 3.560 5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.435 2.061 4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -2.533 0.206 6.498 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.334 0.961 7.574 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.070 1.260 7.827 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -5.616 2.044 5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -4.554 0.801 6.186 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -4.842 2.323 7.062 1.00 0.00 H new ATOM 2044 N SER A 130 -2.811 3.340 9.177 1.00 0.00 N ATOM 2045 CA SER A 130 -3.797 3.512 10.234 1.00 0.00 C ATOM 2046 C SER A 130 -3.965 4.982 10.604 1.00 0.00 C ATOM 2047 O SER A 130 -5.061 5.533 10.504 1.00 0.00 O ATOM 2048 CB SER A 130 -3.398 2.685 11.461 1.00 0.00 C ATOM 2049 OG SER A 130 -2.942 3.508 12.523 1.00 0.00 O ATOM 0 H SER A 130 -1.983 2.812 9.455 1.00 0.00 H new ATOM 0 HA SER A 130 -4.759 3.156 9.865 1.00 0.00 H new ATOM 0 HB2 SER A 130 -4.252 2.097 11.797 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.614 1.979 11.185 1.00 0.00 H new ATOM 0 HG SER A 130 -1.986 3.691 12.408 1.00 0.00 H new ATOM 2055 N LYS A 131 -2.878 5.614 11.028 1.00 0.00 N ATOM 2056 CA LYS A 131 -2.921 7.024 11.406 1.00 0.00 C ATOM 2057 C LYS A 131 -3.037 7.916 10.171 1.00 0.00 C ATOM 2058 O LYS A 131 -3.487 9.059 10.259 1.00 0.00 O ATOM 2059 CB LYS A 131 -1.685 7.403 12.237 1.00 0.00 C ATOM 2060 CG LYS A 131 -0.437 7.718 11.418 1.00 0.00 C ATOM 2061 CD LYS A 131 0.558 6.573 11.457 1.00 0.00 C ATOM 2062 CE LYS A 131 1.989 7.080 11.552 1.00 0.00 C ATOM 2063 NZ LYS A 131 2.958 5.969 11.764 1.00 0.00 N ATOM 0 H LYS A 131 -1.961 5.178 11.119 1.00 0.00 H new ATOM 0 HA LYS A 131 -3.807 7.182 12.021 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -1.929 8.270 12.850 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -1.458 6.584 12.919 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -0.720 7.920 10.385 1.00 0.00 H new ATOM 0 HG3 LYS A 131 0.033 8.623 11.803 1.00 0.00 H new ATOM 0 HD2 LYS A 131 0.341 5.930 12.310 1.00 0.00 H new ATOM 0 HD3 LYS A 131 0.446 5.962 10.561 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.246 7.616 10.638 1.00 0.00 H new ATOM 0 HE3 LYS A 131 2.068 7.793 12.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.817 6.340 12.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.529 5.246 12.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 3.206 5.545 10.847 1.00 0.00 H new ATOM 2077 N TYR A 132 -2.628 7.384 9.021 1.00 0.00 N ATOM 2078 CA TYR A 132 -2.688 8.128 7.769 1.00 0.00 C ATOM 2079 C TYR A 132 -4.129 8.460 7.387 1.00 0.00 C ATOM 2080 O TYR A 132 -4.369 9.299 6.520 1.00 0.00 O ATOM 2081 CB TYR A 132 -2.007 7.339 6.649 1.00 0.00 C ATOM 2082 CG TYR A 132 -0.618 7.846 6.330 1.00 0.00 C ATOM 2083 CD1 TYR A 132 0.348 7.951 7.323 1.00 0.00 C ATOM 2084 CD2 TYR A 132 -0.274 8.227 5.039 1.00 0.00 C ATOM 2085 CE1 TYR A 132 1.616 8.419 7.039 1.00 0.00 C ATOM 2086 CE2 TYR A 132 0.992 8.697 4.748 1.00 0.00 C ATOM 2087 CZ TYR A 132 1.934 8.791 5.751 1.00 0.00 C ATOM 2088 OH TYR A 132 3.195 9.259 5.464 1.00 0.00 O ATOM 0 H TYR A 132 -2.252 6.440 8.932 1.00 0.00 H new ATOM 0 HA TYR A 132 -2.156 9.069 7.912 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.948 6.289 6.936 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -2.622 7.390 5.750 1.00 0.00 H new ATOM 0 HD1 TYR A 132 0.103 7.662 8.334 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -1.008 8.155 4.250 1.00 0.00 H new ATOM 0 HE1 TYR A 132 2.355 8.493 7.823 1.00 0.00 H new ATOM 0 HE2 TYR A 132 1.243 8.990 3.739 1.00 0.00 H new ATOM 0 HH TYR A 132 3.254 9.476 4.510 1.00 0.00 H new ATOM 2098 N GLN A 133 -5.086 7.806 8.043 1.00 0.00 N ATOM 2099 CA GLN A 133 -6.499 8.041 7.774 1.00 0.00 C ATOM 2100 C GLN A 133 -6.929 9.412 8.300 1.00 0.00 C ATOM 2101 O GLN A 133 -7.849 9.522 9.111 1.00 0.00 O ATOM 2102 CB GLN A 133 -7.347 6.935 8.413 1.00 0.00 C ATOM 2103 CG GLN A 133 -8.054 6.049 7.399 1.00 0.00 C ATOM 2104 CD GLN A 133 -9.264 6.724 6.782 1.00 0.00 C ATOM 2105 OE1 GLN A 133 -9.487 7.918 6.976 1.00 0.00 O ATOM 2106 NE2 GLN A 133 -10.051 5.959 6.036 1.00 0.00 N ATOM 0 H GLN A 133 -4.906 7.109 8.765 1.00 0.00 H new ATOM 0 HA GLN A 133 -6.654 8.026 6.695 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -6.707 6.315 9.041 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.091 7.391 9.067 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -7.354 5.775 6.610 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -8.366 5.124 7.884 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -9.826 4.973 5.903 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.881 6.357 5.596 1.00 0.00 H new