USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 576 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 9 GLN : amide:sc= 0.416 K(o=0.83,f=-2.5) USER MOD Set 1.2: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 21 SER OG : rot 122:sc= 0.418 USER MOD Single : A 8 MET CE :methyl 151:sc= -1.61 (180deg=-3.74!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 170:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.73 K(o=-0.73,f=-6.1!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 38 SER OG : rot -81:sc= 1.22 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.21 K(o=-0.21,f=-3.6!) USER MOD Single : A 47 GLN : amide:sc= -0.56 K(o=-0.56,f=-6.5!) USER MOD Single : A 48 GLN : amide:sc= -0.516 K(o=-0.52,f=-1.3) USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= -0.0175 (180deg=-0.215) USER MOD Single : A 55 LYS NZ :NH3+ 158:sc= -0.0671 (180deg=-0.404) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 30:sc= 0.371 USER MOD Single : A 67 SER OG : rot -52:sc= 0.195 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 108:sc= 1.23 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.608 -14.223 3.461 1.00 0.00 N ATOM 60 CA GLY A 7 6.004 -12.944 3.784 1.00 0.00 C ATOM 61 C GLY A 7 7.003 -11.805 3.745 1.00 0.00 C ATOM 62 O GLY A 7 8.204 -12.018 3.901 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.196 -12.739 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.557 -12.997 4.777 1.00 0.00 H new ATOM 66 N MET A 8 6.505 -10.590 3.534 1.00 0.00 N ATOM 67 CA MET A 8 7.363 -9.413 3.475 1.00 0.00 C ATOM 68 C MET A 8 6.730 -8.240 4.216 1.00 0.00 C ATOM 69 O MET A 8 5.524 -8.229 4.462 1.00 0.00 O ATOM 70 CB MET A 8 7.633 -9.025 2.019 1.00 0.00 C ATOM 71 CG MET A 8 6.385 -8.602 1.262 1.00 0.00 C ATOM 72 SD MET A 8 6.764 -7.803 -0.310 1.00 0.00 S ATOM 73 CE MET A 8 5.221 -6.957 -0.640 1.00 0.00 C ATOM 0 H MET A 8 5.512 -10.396 3.401 1.00 0.00 H new ATOM 0 HA MET A 8 8.308 -9.659 3.960 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.356 -8.209 1.997 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.091 -9.870 1.505 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.761 -9.477 1.079 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.803 -7.919 1.881 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.416 -6.061 -1.229 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.555 -7.618 -1.195 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.751 -6.677 0.303 1.00 0.00 H new ATOM 83 N GLN A 9 7.550 -7.256 4.570 1.00 0.00 N ATOM 84 CA GLN A 9 7.069 -6.080 5.284 1.00 0.00 C ATOM 85 C GLN A 9 6.986 -4.874 4.354 1.00 0.00 C ATOM 86 O GLN A 9 7.877 -4.647 3.534 1.00 0.00 O ATOM 87 CB GLN A 9 7.986 -5.765 6.467 1.00 0.00 C ATOM 88 CG GLN A 9 7.398 -4.756 7.441 1.00 0.00 C ATOM 89 CD GLN A 9 8.461 -4.022 8.234 1.00 0.00 C ATOM 90 OE1 GLN A 9 8.696 -2.831 8.027 1.00 0.00 O ATOM 91 NE2 GLN A 9 9.112 -4.731 9.149 1.00 0.00 N ATOM 0 H GLN A 9 8.551 -7.250 4.374 1.00 0.00 H new ATOM 0 HA GLN A 9 6.068 -6.297 5.657 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.205 -6.689 7.002 1.00 0.00 H new ATOM 0 HB3 GLN A 9 8.934 -5.383 6.089 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.797 -4.033 6.890 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.727 -5.270 8.129 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.885 -5.716 9.288 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.839 -4.291 9.713 1.00 0.00 H new ATOM 100 N LEU A 10 5.913 -4.103 4.487 1.00 0.00 N ATOM 101 CA LEU A 10 5.713 -2.920 3.658 1.00 0.00 C ATOM 102 C LEU A 10 5.450 -1.689 4.520 1.00 0.00 C ATOM 103 O LEU A 10 4.596 -1.709 5.406 1.00 0.00 O ATOM 104 CB LEU A 10 4.547 -3.139 2.693 1.00 0.00 C ATOM 105 CG LEU A 10 4.814 -4.085 1.521 1.00 0.00 C ATOM 106 CD1 LEU A 10 3.617 -4.125 0.584 1.00 0.00 C ATOM 107 CD2 LEU A 10 6.068 -3.663 0.770 1.00 0.00 C ATOM 0 H LEU A 10 5.168 -4.276 5.161 1.00 0.00 H new ATOM 0 HA LEU A 10 6.624 -2.751 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.700 -3.525 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.247 -2.171 2.292 1.00 0.00 H new ATOM 0 HG LEU A 10 4.973 -5.088 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.825 -4.803 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.740 -4.476 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.426 -3.125 0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.242 -4.347 -0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.939 -2.651 0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.923 -3.688 1.446 1.00 0.00 H new ATOM 119 N THR A 11 6.190 -0.617 4.253 1.00 0.00 N ATOM 120 CA THR A 11 6.036 0.624 5.003 1.00 0.00 C ATOM 121 C THR A 11 5.390 1.707 4.147 1.00 0.00 C ATOM 122 O THR A 11 6.033 2.286 3.271 1.00 0.00 O ATOM 123 CB THR A 11 7.392 1.137 5.524 1.00 0.00 C ATOM 124 OG1 THR A 11 8.239 0.031 5.855 1.00 0.00 O ATOM 125 CG2 THR A 11 7.202 2.021 6.747 1.00 0.00 C ATOM 0 H THR A 11 6.902 -0.583 3.523 1.00 0.00 H new ATOM 0 HA THR A 11 5.389 0.402 5.852 1.00 0.00 H new ATOM 0 HB THR A 11 7.859 1.729 4.737 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.100 0.365 6.184 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.173 2.371 7.097 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.581 2.877 6.484 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.716 1.449 7.537 1.00 0.00 H new ATOM 133 N VAL A 12 4.115 1.979 4.407 1.00 0.00 N ATOM 134 CA VAL A 12 3.383 2.995 3.661 1.00 0.00 C ATOM 135 C VAL A 12 3.574 4.376 4.280 1.00 0.00 C ATOM 136 O VAL A 12 3.113 4.640 5.390 1.00 0.00 O ATOM 137 CB VAL A 12 1.878 2.674 3.604 1.00 0.00 C ATOM 138 CG1 VAL A 12 1.090 3.887 3.133 1.00 0.00 C ATOM 139 CG2 VAL A 12 1.622 1.478 2.700 1.00 0.00 C ATOM 0 H VAL A 12 3.568 1.510 5.129 1.00 0.00 H new ATOM 0 HA VAL A 12 3.786 2.995 2.648 1.00 0.00 H new ATOM 0 HB VAL A 12 1.541 2.420 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.029 3.641 3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.249 4.715 3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.427 4.176 2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.553 1.265 2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.974 1.701 1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.155 0.609 3.087 1.00 0.00 H new ATOM 149 N LYS A 13 4.258 5.254 3.554 1.00 0.00 N ATOM 150 CA LYS A 13 4.510 6.609 4.029 1.00 0.00 C ATOM 151 C LYS A 13 3.696 7.625 3.233 1.00 0.00 C ATOM 152 O LYS A 13 3.586 7.526 2.012 1.00 0.00 O ATOM 153 CB LYS A 13 6.000 6.939 3.924 1.00 0.00 C ATOM 154 CG LYS A 13 6.474 7.947 4.957 1.00 0.00 C ATOM 155 CD LYS A 13 7.783 8.598 4.542 1.00 0.00 C ATOM 156 CE LYS A 13 8.333 9.494 5.641 1.00 0.00 C ATOM 157 NZ LYS A 13 7.674 10.829 5.649 1.00 0.00 N ATOM 0 H LYS A 13 4.648 5.051 2.634 1.00 0.00 H new ATOM 0 HA LYS A 13 4.205 6.664 5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.576 6.020 4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.208 7.328 2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.712 8.715 5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.602 7.450 5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.514 7.826 4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.628 9.185 3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.190 9.012 6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.407 9.620 5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.076 11.410 6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.832 11.300 4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.653 10.711 5.805 1.00 0.00 H new ATOM 171 N ALA A 14 3.129 8.601 3.934 1.00 0.00 N ATOM 172 CA ALA A 14 2.329 9.637 3.292 1.00 0.00 C ATOM 173 C ALA A 14 3.092 10.955 3.221 1.00 0.00 C ATOM 174 O ALA A 14 3.465 11.524 4.248 1.00 0.00 O ATOM 175 CB ALA A 14 1.015 9.825 4.036 1.00 0.00 C ATOM 0 H ALA A 14 3.209 8.696 4.946 1.00 0.00 H new ATOM 0 HA ALA A 14 2.115 9.317 2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.427 10.601 3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.456 8.889 4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.219 10.119 5.066 1.00 0.00 H new ATOM 224 N ARG A 18 1.723 10.978 7.563 1.00 0.00 N ATOM 225 CA ARG A 18 1.974 9.870 8.478 1.00 0.00 C ATOM 226 C ARG A 18 2.387 8.617 7.713 1.00 0.00 C ATOM 227 O ARG A 18 2.388 8.601 6.483 1.00 0.00 O ATOM 228 CB ARG A 18 0.728 9.582 9.317 1.00 0.00 C ATOM 229 CG ARG A 18 0.385 10.688 10.300 1.00 0.00 C ATOM 230 CD ARG A 18 -0.846 10.342 11.122 1.00 0.00 C ATOM 231 NE ARG A 18 -1.066 11.295 12.207 1.00 0.00 N ATOM 232 CZ ARG A 18 -0.475 11.205 13.394 1.00 0.00 C ATOM 233 NH1 ARG A 18 0.367 10.213 13.646 1.00 0.00 N ATOM 234 NH2 ARG A 18 -0.726 12.111 14.331 1.00 0.00 N ATOM 0 HA ARG A 18 2.791 10.156 9.140 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.120 9.425 8.650 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.878 8.653 9.867 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.231 10.860 10.965 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.212 11.617 9.757 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.722 10.323 10.473 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.735 9.340 11.537 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.708 12.071 12.045 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.563 9.516 12.928 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.819 10.147 14.558 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.373 12.876 14.140 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.272 12.042 15.242 1.00 0.00 H new ATOM 248 N GLU A 19 2.739 7.568 8.451 1.00 0.00 N ATOM 249 CA GLU A 19 3.155 6.311 7.841 1.00 0.00 C ATOM 250 C GLU A 19 2.808 5.128 8.741 1.00 0.00 C ATOM 251 O GLU A 19 2.351 5.308 9.871 1.00 0.00 O ATOM 252 CB GLU A 19 4.659 6.328 7.560 1.00 0.00 C ATOM 253 CG GLU A 19 5.510 6.465 8.812 1.00 0.00 C ATOM 254 CD GLU A 19 6.928 5.965 8.611 1.00 0.00 C ATOM 255 OE1 GLU A 19 7.113 5.009 7.829 1.00 0.00 O ATOM 256 OE2 GLU A 19 7.851 6.530 9.234 1.00 0.00 O ATOM 0 H GLU A 19 2.744 7.564 9.471 1.00 0.00 H new ATOM 0 HA GLU A 19 2.618 6.199 6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.934 5.409 7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.885 7.154 6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.537 7.512 9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.045 5.909 9.626 1.00 0.00 H new ATOM 263 N CYS A 20 3.028 3.921 8.233 1.00 0.00 N ATOM 264 CA CYS A 20 2.738 2.708 8.989 1.00 0.00 C ATOM 265 C CYS A 20 3.269 1.475 8.265 1.00 0.00 C ATOM 266 O CYS A 20 3.253 1.410 7.036 1.00 0.00 O ATOM 267 CB CYS A 20 1.232 2.572 9.217 1.00 0.00 C ATOM 268 SG CYS A 20 0.791 1.708 10.742 1.00 0.00 S ATOM 0 H CYS A 20 3.406 3.756 7.300 1.00 0.00 H new ATOM 0 HA CYS A 20 3.239 2.783 9.954 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.787 3.567 9.234 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.794 2.041 8.372 1.00 0.00 H new ATOM 0 HG CYS A 20 -0.486 1.828 10.955 1.00 0.00 H new ATOM 274 N SER A 21 3.741 0.500 9.036 1.00 0.00 N ATOM 275 CA SER A 21 4.282 -0.729 8.467 1.00 0.00 C ATOM 276 C SER A 21 3.354 -1.909 8.741 1.00 0.00 C ATOM 277 O SER A 21 2.666 -1.948 9.762 1.00 0.00 O ATOM 278 CB SER A 21 5.671 -1.013 9.042 1.00 0.00 C ATOM 279 OG SER A 21 6.175 -2.250 8.569 1.00 0.00 O ATOM 0 H SER A 21 3.760 0.537 10.055 1.00 0.00 H new ATOM 0 HA SER A 21 4.363 -0.596 7.388 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.354 -0.209 8.766 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.621 -1.029 10.131 1.00 0.00 H new ATOM 0 HG SER A 21 7.030 -2.102 8.113 1.00 0.00 H new ATOM 285 N LEU A 22 3.341 -2.868 7.823 1.00 0.00 N ATOM 286 CA LEU A 22 2.499 -4.051 7.964 1.00 0.00 C ATOM 287 C LEU A 22 3.172 -5.275 7.352 1.00 0.00 C ATOM 288 O LEU A 22 4.154 -5.154 6.621 1.00 0.00 O ATOM 289 CB LEU A 22 1.141 -3.816 7.299 1.00 0.00 C ATOM 290 CG LEU A 22 0.132 -2.997 8.104 1.00 0.00 C ATOM 291 CD1 LEU A 22 -0.797 -2.232 7.175 1.00 0.00 C ATOM 292 CD2 LEU A 22 -0.665 -3.899 9.035 1.00 0.00 C ATOM 0 H LEU A 22 3.904 -2.850 6.973 1.00 0.00 H new ATOM 0 HA LEU A 22 2.350 -4.236 9.028 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.308 -3.314 6.346 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.696 -4.786 7.075 1.00 0.00 H new ATOM 0 HG LEU A 22 0.680 -2.276 8.711 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.508 -1.655 7.766 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.212 -1.557 6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.338 -2.935 6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.378 -3.299 9.600 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.202 -4.644 8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.014 -4.401 9.725 1.00 0.00 H new ATOM 304 N GLN A 23 2.635 -6.453 7.656 1.00 0.00 N ATOM 305 CA GLN A 23 3.184 -7.699 7.135 1.00 0.00 C ATOM 306 C GLN A 23 2.255 -8.308 6.089 1.00 0.00 C ATOM 307 O GLN A 23 1.062 -8.486 6.333 1.00 0.00 O ATOM 308 CB GLN A 23 3.413 -8.695 8.273 1.00 0.00 C ATOM 309 CG GLN A 23 4.410 -8.212 9.313 1.00 0.00 C ATOM 310 CD GLN A 23 5.843 -8.279 8.823 1.00 0.00 C ATOM 311 OE1 GLN A 23 6.121 -8.042 7.648 1.00 0.00 O ATOM 312 NE2 GLN A 23 6.763 -8.602 9.725 1.00 0.00 N ATOM 0 H GLN A 23 1.821 -6.570 8.260 1.00 0.00 H new ATOM 0 HA GLN A 23 4.139 -7.475 6.660 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.461 -8.900 8.762 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.765 -9.638 7.854 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.172 -7.185 9.589 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.310 -8.816 10.215 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.488 -8.791 10.689 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.744 -8.661 9.454 1.00 0.00 H new ATOM 321 N VAL A 24 2.811 -8.624 4.924 1.00 0.00 N ATOM 322 CA VAL A 24 2.032 -9.214 3.841 1.00 0.00 C ATOM 323 C VAL A 24 2.937 -9.907 2.828 1.00 0.00 C ATOM 324 O VAL A 24 4.095 -9.536 2.637 1.00 0.00 O ATOM 325 CB VAL A 24 1.187 -8.151 3.115 1.00 0.00 C ATOM 326 CG1 VAL A 24 -0.044 -7.796 3.935 1.00 0.00 C ATOM 327 CG2 VAL A 24 2.021 -6.912 2.827 1.00 0.00 C ATOM 0 H VAL A 24 3.797 -8.482 4.706 1.00 0.00 H new ATOM 0 HA VAL A 24 1.367 -9.950 4.293 1.00 0.00 H new ATOM 0 HB VAL A 24 0.854 -8.565 2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.629 -7.043 3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.651 -8.689 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.265 -7.401 4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.407 -6.172 2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.386 -6.493 3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.868 -7.182 2.196 1.00 0.00 H new ATOM 337 N PRO A 25 2.397 -10.938 2.162 1.00 0.00 N ATOM 338 CA PRO A 25 3.138 -11.705 1.156 1.00 0.00 C ATOM 339 C PRO A 25 3.401 -10.897 -0.111 1.00 0.00 C ATOM 340 O PRO A 25 3.017 -9.732 -0.205 1.00 0.00 O ATOM 341 CB PRO A 25 2.210 -12.884 0.855 1.00 0.00 C ATOM 342 CG PRO A 25 0.846 -12.388 1.189 1.00 0.00 C ATOM 343 CD PRO A 25 1.023 -11.435 2.339 1.00 0.00 C ATOM 0 HA PRO A 25 4.124 -12.001 1.514 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.277 -13.183 -0.191 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.472 -13.756 1.454 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.392 -11.888 0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.187 -13.212 1.463 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.295 -10.624 2.305 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.897 -11.936 3.299 1.00 0.00 H new ATOM 351 N GLU A 26 4.058 -11.524 -1.081 1.00 0.00 N ATOM 352 CA GLU A 26 4.372 -10.862 -2.342 1.00 0.00 C ATOM 353 C GLU A 26 3.215 -10.992 -3.328 1.00 0.00 C ATOM 354 O GLU A 26 3.015 -10.130 -4.184 1.00 0.00 O ATOM 355 CB GLU A 26 5.645 -11.454 -2.952 1.00 0.00 C ATOM 356 CG GLU A 26 5.538 -12.938 -3.262 1.00 0.00 C ATOM 357 CD GLU A 26 6.652 -13.426 -4.166 1.00 0.00 C ATOM 358 OE1 GLU A 26 7.234 -12.595 -4.894 1.00 0.00 O ATOM 359 OE2 GLU A 26 6.943 -14.641 -4.146 1.00 0.00 O ATOM 0 H GLU A 26 4.383 -12.489 -1.018 1.00 0.00 H new ATOM 0 HA GLU A 26 4.534 -9.804 -2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.882 -10.916 -3.870 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.476 -11.294 -2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.558 -13.503 -2.330 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.577 -13.138 -3.735 1.00 0.00 H new ATOM 366 N ASP A 27 2.456 -12.075 -3.201 1.00 0.00 N ATOM 367 CA ASP A 27 1.318 -12.319 -4.080 1.00 0.00 C ATOM 368 C ASP A 27 0.042 -11.725 -3.493 1.00 0.00 C ATOM 369 O ASP A 27 -1.064 -12.118 -3.863 1.00 0.00 O ATOM 370 CB ASP A 27 1.138 -13.820 -4.311 1.00 0.00 C ATOM 371 CG ASP A 27 0.398 -14.496 -3.173 1.00 0.00 C ATOM 372 OD1 ASP A 27 0.933 -14.512 -2.045 1.00 0.00 O ATOM 373 OD2 ASP A 27 -0.714 -15.011 -3.411 1.00 0.00 O ATOM 0 H ASP A 27 2.608 -12.798 -2.498 1.00 0.00 H new ATOM 0 HA ASP A 27 1.517 -11.834 -5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.592 -13.979 -5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.116 -14.286 -4.432 1.00 0.00 H new ATOM 378 N GLU A 28 0.203 -10.777 -2.575 1.00 0.00 N ATOM 379 CA GLU A 28 -0.937 -10.131 -1.936 1.00 0.00 C ATOM 380 C GLU A 28 -1.656 -9.206 -2.914 1.00 0.00 C ATOM 381 O GLU A 28 -1.022 -8.471 -3.672 1.00 0.00 O ATOM 382 CB GLU A 28 -0.481 -9.338 -0.709 1.00 0.00 C ATOM 383 CG GLU A 28 -1.592 -9.074 0.292 1.00 0.00 C ATOM 384 CD GLU A 28 -1.854 -10.260 1.200 1.00 0.00 C ATOM 385 OE1 GLU A 28 -2.004 -11.385 0.679 1.00 0.00 O ATOM 386 OE2 GLU A 28 -1.908 -10.063 2.432 1.00 0.00 O ATOM 0 H GLU A 28 1.112 -10.440 -2.257 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.632 -10.909 -1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.322 -9.883 -0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.065 -8.385 -1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.330 -8.207 0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.507 -8.823 -0.244 1.00 0.00 H new ATOM 393 N LEU A 29 -2.984 -9.249 -2.891 1.00 0.00 N ATOM 394 CA LEU A 29 -3.792 -8.416 -3.775 1.00 0.00 C ATOM 395 C LEU A 29 -3.723 -6.951 -3.356 1.00 0.00 C ATOM 396 O LEU A 29 -3.855 -6.624 -2.176 1.00 0.00 O ATOM 397 CB LEU A 29 -5.245 -8.892 -3.770 1.00 0.00 C ATOM 398 CG LEU A 29 -5.467 -10.374 -4.072 1.00 0.00 C ATOM 399 CD1 LEU A 29 -6.929 -10.745 -3.880 1.00 0.00 C ATOM 400 CD2 LEU A 29 -5.012 -10.704 -5.487 1.00 0.00 C ATOM 0 H LEU A 29 -3.524 -9.852 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.391 -8.505 -4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.675 -8.673 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.801 -8.306 -4.501 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.870 -10.961 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.068 -11.804 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.222 -10.547 -2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.547 -10.151 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.177 -11.763 -5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.581 -10.108 -6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.951 -10.477 -5.590 1.00 0.00 H new ATOM 412 N VAL A 30 -3.517 -6.070 -4.331 1.00 0.00 N ATOM 413 CA VAL A 30 -3.434 -4.639 -4.064 1.00 0.00 C ATOM 414 C VAL A 30 -4.647 -4.156 -3.277 1.00 0.00 C ATOM 415 O VAL A 30 -4.564 -3.188 -2.521 1.00 0.00 O ATOM 416 CB VAL A 30 -3.328 -3.830 -5.370 1.00 0.00 C ATOM 417 CG1 VAL A 30 -3.121 -2.354 -5.068 1.00 0.00 C ATOM 418 CG2 VAL A 30 -2.202 -4.368 -6.240 1.00 0.00 C ATOM 0 H VAL A 30 -3.405 -6.323 -5.313 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.533 -4.479 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.263 -3.936 -5.920 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.048 -1.798 -6.003 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.964 -1.980 -4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.202 -2.225 -4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.142 -3.785 -7.159 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.258 -4.294 -5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.399 -5.412 -6.485 1.00 0.00 H new ATOM 428 N SER A 31 -5.774 -4.837 -3.459 1.00 0.00 N ATOM 429 CA SER A 31 -7.006 -4.476 -2.769 1.00 0.00 C ATOM 430 C SER A 31 -6.870 -4.694 -1.265 1.00 0.00 C ATOM 431 O SER A 31 -7.267 -3.847 -0.463 1.00 0.00 O ATOM 432 CB SER A 31 -8.179 -5.295 -3.310 1.00 0.00 C ATOM 433 OG SER A 31 -9.419 -4.746 -2.899 1.00 0.00 O ATOM 0 H SER A 31 -5.859 -5.642 -4.079 1.00 0.00 H new ATOM 0 HA SER A 31 -7.197 -3.418 -2.950 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.134 -5.324 -4.399 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.100 -6.324 -2.960 1.00 0.00 H new ATOM 0 HG SER A 31 -10.152 -5.287 -3.260 1.00 0.00 H new ATOM 439 N THR A 32 -6.306 -5.837 -0.888 1.00 0.00 N ATOM 440 CA THR A 32 -6.118 -6.169 0.519 1.00 0.00 C ATOM 441 C THR A 32 -4.942 -5.402 1.112 1.00 0.00 C ATOM 442 O THR A 32 -4.856 -5.221 2.328 1.00 0.00 O ATOM 443 CB THR A 32 -5.882 -7.679 0.713 1.00 0.00 C ATOM 444 OG1 THR A 32 -6.893 -8.425 0.025 1.00 0.00 O ATOM 445 CG2 THR A 32 -5.893 -8.043 2.190 1.00 0.00 C ATOM 0 H THR A 32 -5.971 -6.549 -1.538 1.00 0.00 H new ATOM 0 HA THR A 32 -7.033 -5.882 1.037 1.00 0.00 H new ATOM 0 HB THR A 32 -4.904 -7.928 0.301 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.735 -9.384 0.152 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.724 -9.114 2.302 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.104 -7.496 2.706 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.859 -7.781 2.622 1.00 0.00 H new ATOM 453 N LEU A 33 -4.038 -4.954 0.248 1.00 0.00 N ATOM 454 CA LEU A 33 -2.866 -4.204 0.688 1.00 0.00 C ATOM 455 C LEU A 33 -3.243 -2.775 1.063 1.00 0.00 C ATOM 456 O LEU A 33 -2.553 -2.125 1.849 1.00 0.00 O ATOM 457 CB LEU A 33 -1.803 -4.192 -0.412 1.00 0.00 C ATOM 458 CG LEU A 33 -1.016 -5.490 -0.600 1.00 0.00 C ATOM 459 CD1 LEU A 33 -0.574 -5.641 -2.047 1.00 0.00 C ATOM 460 CD2 LEU A 33 0.185 -5.525 0.333 1.00 0.00 C ATOM 0 H LEU A 33 -4.094 -5.097 -0.760 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.460 -4.696 1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.289 -3.945 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.096 -3.390 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.668 -6.327 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.016 -6.570 -2.162 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.450 -5.662 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.061 -4.799 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.733 -6.455 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.839 -4.680 0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.155 -5.464 1.367 1.00 0.00 H new ATOM 472 N LYS A 34 -4.344 -2.291 0.498 1.00 0.00 N ATOM 473 CA LYS A 34 -4.816 -0.939 0.775 1.00 0.00 C ATOM 474 C LYS A 34 -5.783 -0.932 1.954 1.00 0.00 C ATOM 475 O LYS A 34 -5.760 -0.021 2.781 1.00 0.00 O ATOM 476 CB LYS A 34 -5.498 -0.352 -0.463 1.00 0.00 C ATOM 477 CG LYS A 34 -4.535 -0.025 -1.591 1.00 0.00 C ATOM 478 CD LYS A 34 -5.218 -0.102 -2.946 1.00 0.00 C ATOM 479 CE LYS A 34 -4.575 0.844 -3.949 1.00 0.00 C ATOM 480 NZ LYS A 34 -5.116 2.227 -3.833 1.00 0.00 N ATOM 0 H LYS A 34 -4.927 -2.815 -0.155 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.953 -0.324 1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.243 -1.059 -0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.032 0.555 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.127 0.975 -1.444 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.695 -0.719 -1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.167 -1.123 -3.323 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.274 0.145 -2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.497 0.862 -3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.744 0.472 -4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.653 2.841 -4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.141 2.215 -4.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.932 2.593 -2.877 1.00 0.00 H new ATOM 494 N GLN A 35 -6.632 -1.953 2.024 1.00 0.00 N ATOM 495 CA GLN A 35 -7.606 -2.063 3.102 1.00 0.00 C ATOM 496 C GLN A 35 -6.911 -2.174 4.455 1.00 0.00 C ATOM 497 O GLN A 35 -7.250 -1.461 5.400 1.00 0.00 O ATOM 498 CB GLN A 35 -8.511 -3.276 2.879 1.00 0.00 C ATOM 499 CG GLN A 35 -9.579 -3.052 1.821 1.00 0.00 C ATOM 500 CD GLN A 35 -10.391 -4.301 1.538 1.00 0.00 C ATOM 501 OE1 GLN A 35 -9.849 -5.328 1.130 1.00 0.00 O ATOM 502 NE2 GLN A 35 -11.699 -4.218 1.755 1.00 0.00 N ATOM 0 H GLN A 35 -6.664 -2.715 1.347 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.215 -1.159 3.100 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.897 -4.128 2.589 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.994 -3.537 3.821 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.247 -2.255 2.148 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.106 -2.714 0.899 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.105 -3.346 2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.297 -5.026 1.583 1.00 0.00 H new ATOM 511 N LEU A 36 -5.937 -3.073 4.542 1.00 0.00 N ATOM 512 CA LEU A 36 -5.193 -3.279 5.780 1.00 0.00 C ATOM 513 C LEU A 36 -4.808 -1.945 6.411 1.00 0.00 C ATOM 514 O LEU A 36 -4.934 -1.760 7.622 1.00 0.00 O ATOM 515 CB LEU A 36 -3.937 -4.110 5.511 1.00 0.00 C ATOM 516 CG LEU A 36 -4.170 -5.565 5.104 1.00 0.00 C ATOM 517 CD1 LEU A 36 -3.044 -6.056 4.208 1.00 0.00 C ATOM 518 CD2 LEU A 36 -4.297 -6.450 6.336 1.00 0.00 C ATOM 0 H LEU A 36 -5.644 -3.671 3.770 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.836 -3.818 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.364 -3.621 4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.319 -4.099 6.409 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.103 -5.620 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.227 -7.094 3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.999 -5.441 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.097 -5.986 4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.463 -7.482 6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.381 -6.390 6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.139 -6.113 6.941 1.00 0.00 H new ATOM 530 N VAL A 37 -4.340 -1.017 5.583 1.00 0.00 N ATOM 531 CA VAL A 37 -3.939 0.302 6.059 1.00 0.00 C ATOM 532 C VAL A 37 -5.148 1.216 6.228 1.00 0.00 C ATOM 533 O VAL A 37 -5.159 2.095 7.088 1.00 0.00 O ATOM 534 CB VAL A 37 -2.937 0.966 5.097 1.00 0.00 C ATOM 535 CG1 VAL A 37 -2.457 2.296 5.659 1.00 0.00 C ATOM 536 CG2 VAL A 37 -1.763 0.038 4.826 1.00 0.00 C ATOM 0 H VAL A 37 -4.229 -1.154 4.578 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.459 0.157 7.027 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.443 1.160 4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.750 2.750 4.965 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.309 2.962 5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.968 2.130 6.619 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.065 0.524 4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.255 -0.190 5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.126 -0.886 4.376 1.00 0.00 H new ATOM 546 N SER A 38 -6.165 1.001 5.399 1.00 0.00 N ATOM 547 CA SER A 38 -7.379 1.807 5.454 1.00 0.00 C ATOM 548 C SER A 38 -7.944 1.843 6.871 1.00 0.00 C ATOM 549 O SER A 38 -8.660 2.773 7.241 1.00 0.00 O ATOM 550 CB SER A 38 -8.428 1.254 4.488 1.00 0.00 C ATOM 551 OG SER A 38 -9.248 0.288 5.124 1.00 0.00 O ATOM 0 H SER A 38 -6.172 0.276 4.682 1.00 0.00 H new ATOM 0 HA SER A 38 -7.124 2.824 5.158 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.046 2.069 4.112 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.933 0.805 3.627 1.00 0.00 H new ATOM 0 HG SER A 38 -8.785 -0.575 5.139 1.00 0.00 H new ATOM 557 N GLU A 39 -7.617 0.823 7.658 1.00 0.00 N ATOM 558 CA GLU A 39 -8.092 0.738 9.034 1.00 0.00 C ATOM 559 C GLU A 39 -7.085 1.358 9.997 1.00 0.00 C ATOM 560 O GLU A 39 -7.448 2.139 10.877 1.00 0.00 O ATOM 561 CB GLU A 39 -8.351 -0.721 9.417 1.00 0.00 C ATOM 562 CG GLU A 39 -9.463 -1.374 8.614 1.00 0.00 C ATOM 563 CD GLU A 39 -9.708 -2.814 9.019 1.00 0.00 C ATOM 564 OE1 GLU A 39 -10.371 -3.035 10.054 1.00 0.00 O ATOM 565 OE2 GLU A 39 -9.235 -3.721 8.302 1.00 0.00 O ATOM 0 H GLU A 39 -7.026 0.045 7.367 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.026 1.296 9.105 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.433 -1.292 9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.602 -0.770 10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.382 -0.803 8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.211 -1.337 7.554 1.00 0.00 H new ATOM 572 N LYS A 40 -5.816 1.003 9.825 1.00 0.00 N ATOM 573 CA LYS A 40 -4.753 1.524 10.678 1.00 0.00 C ATOM 574 C LYS A 40 -4.864 3.038 10.822 1.00 0.00 C ATOM 575 O LYS A 40 -5.029 3.557 11.927 1.00 0.00 O ATOM 576 CB LYS A 40 -3.384 1.154 10.104 1.00 0.00 C ATOM 577 CG LYS A 40 -3.040 -0.318 10.250 1.00 0.00 C ATOM 578 CD LYS A 40 -2.458 -0.622 11.620 1.00 0.00 C ATOM 579 CE LYS A 40 -2.742 -2.055 12.042 1.00 0.00 C ATOM 580 NZ LYS A 40 -2.524 -2.258 13.501 1.00 0.00 N ATOM 0 H LYS A 40 -5.498 0.357 9.103 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.860 1.075 11.665 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.358 1.421 9.048 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.618 1.748 10.602 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.936 -0.919 10.093 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.325 -0.604 9.479 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.381 -0.453 11.604 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.878 0.065 12.355 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.771 -2.310 11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.099 -2.733 11.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.728 -3.247 13.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.535 -2.039 13.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.156 -1.630 14.037 1.00 0.00 H new ATOM 594 N LEU A 41 -4.774 3.743 9.699 1.00 0.00 N ATOM 595 CA LEU A 41 -4.865 5.199 9.700 1.00 0.00 C ATOM 596 C LEU A 41 -6.322 5.652 9.695 1.00 0.00 C ATOM 597 O LEU A 41 -6.611 6.845 9.783 1.00 0.00 O ATOM 598 CB LEU A 41 -4.136 5.776 8.486 1.00 0.00 C ATOM 599 CG LEU A 41 -2.631 5.510 8.418 1.00 0.00 C ATOM 600 CD1 LEU A 41 -2.076 5.925 7.064 1.00 0.00 C ATOM 601 CD2 LEU A 41 -1.909 6.243 9.540 1.00 0.00 C ATOM 0 H LEU A 41 -4.638 3.330 8.776 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.391 5.568 10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.597 5.372 7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.295 6.854 8.470 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.464 4.440 8.543 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.004 5.728 7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.571 5.355 6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.254 6.989 6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.839 6.043 9.476 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.084 7.315 9.446 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.286 5.897 10.502 1.00 0.00 H new ATOM 613 N ASN A 42 -7.235 4.692 9.595 1.00 0.00 N ATOM 614 CA ASN A 42 -8.662 4.993 9.581 1.00 0.00 C ATOM 615 C ASN A 42 -9.032 5.816 8.350 1.00 0.00 C ATOM 616 O ASN A 42 -9.928 6.659 8.400 1.00 0.00 O ATOM 617 CB ASN A 42 -9.058 5.748 10.851 1.00 0.00 C ATOM 618 CG ASN A 42 -8.614 5.031 12.112 1.00 0.00 C ATOM 619 OD1 ASN A 42 -7.420 4.932 12.395 1.00 0.00 O ATOM 620 ND2 ASN A 42 -9.577 4.527 12.875 1.00 0.00 N ATOM 0 H ASN A 42 -7.013 3.699 9.522 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.207 4.050 9.543 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.619 6.745 10.829 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.140 5.877 10.871 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.340 4.034 13.736 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.554 4.633 12.600 1.00 0.00 H new ATOM 627 N VAL A 43 -8.337 5.565 7.246 1.00 0.00 N ATOM 628 CA VAL A 43 -8.593 6.280 6.001 1.00 0.00 C ATOM 629 C VAL A 43 -9.196 5.355 4.950 1.00 0.00 C ATOM 630 O VAL A 43 -8.791 4.203 4.794 1.00 0.00 O ATOM 631 CB VAL A 43 -7.304 6.907 5.439 1.00 0.00 C ATOM 632 CG1 VAL A 43 -7.575 7.575 4.100 1.00 0.00 C ATOM 633 CG2 VAL A 43 -6.719 7.901 6.431 1.00 0.00 C ATOM 0 H VAL A 43 -7.591 4.871 7.188 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.303 7.074 6.232 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.574 6.113 5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.652 8.012 3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.945 6.834 3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.322 8.358 4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.808 8.335 6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.443 8.693 6.623 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.486 7.389 7.364 1.00 0.00 H new ATOM 643 N PRO A 44 -10.188 5.870 4.209 1.00 0.00 N ATOM 644 CA PRO A 44 -10.868 5.108 3.157 1.00 0.00 C ATOM 645 C PRO A 44 -9.969 4.852 1.953 1.00 0.00 C ATOM 646 O PRO A 44 -9.271 5.752 1.484 1.00 0.00 O ATOM 647 CB PRO A 44 -12.042 6.010 2.767 1.00 0.00 C ATOM 648 CG PRO A 44 -11.596 7.386 3.125 1.00 0.00 C ATOM 649 CD PRO A 44 -10.723 7.236 4.339 1.00 0.00 C ATOM 0 HA PRO A 44 -11.170 4.119 3.501 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.266 5.930 1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.949 5.735 3.305 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.046 7.844 2.303 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.450 8.030 3.335 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.926 7.980 4.355 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.292 7.359 5.261 1.00 0.00 H new ATOM 657 N VAL A 45 -9.990 3.620 1.455 1.00 0.00 N ATOM 658 CA VAL A 45 -9.178 3.247 0.303 1.00 0.00 C ATOM 659 C VAL A 45 -9.584 4.037 -0.936 1.00 0.00 C ATOM 660 O VAL A 45 -8.758 4.316 -1.805 1.00 0.00 O ATOM 661 CB VAL A 45 -9.294 1.741 -0.001 1.00 0.00 C ATOM 662 CG1 VAL A 45 -8.317 1.341 -1.097 1.00 0.00 C ATOM 663 CG2 VAL A 45 -9.058 0.923 1.259 1.00 0.00 C ATOM 0 H VAL A 45 -10.561 2.863 1.831 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.144 3.481 0.556 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.304 1.536 -0.355 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.413 0.274 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.538 1.903 -2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.299 1.559 -0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.144 -0.138 1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.060 1.130 1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.801 1.190 2.011 1.00 0.00 H new ATOM 673 N ARG A 46 -10.862 4.396 -1.009 1.00 0.00 N ATOM 674 CA ARG A 46 -11.378 5.154 -2.142 1.00 0.00 C ATOM 675 C ARG A 46 -10.634 6.477 -2.296 1.00 0.00 C ATOM 676 O ARG A 46 -10.765 7.159 -3.312 1.00 0.00 O ATOM 677 CB ARG A 46 -12.875 5.416 -1.968 1.00 0.00 C ATOM 678 CG ARG A 46 -13.736 4.177 -2.149 1.00 0.00 C ATOM 679 CD ARG A 46 -15.128 4.533 -2.649 1.00 0.00 C ATOM 680 NE ARG A 46 -15.874 5.323 -1.673 1.00 0.00 N ATOM 681 CZ ARG A 46 -16.888 6.119 -1.994 1.00 0.00 C ATOM 682 NH1 ARG A 46 -17.276 6.228 -3.257 1.00 0.00 N ATOM 683 NH2 ARG A 46 -17.518 6.806 -1.049 1.00 0.00 N ATOM 0 H ARG A 46 -11.558 4.174 -0.297 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.222 4.562 -3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.050 5.827 -0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.188 6.174 -2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.257 3.500 -2.856 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.814 3.645 -1.201 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.047 5.092 -3.581 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.678 3.619 -2.872 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.602 5.260 -0.692 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.796 5.700 -3.985 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.055 6.840 -3.500 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -17.224 6.723 -0.076 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -18.296 7.417 -1.296 1.00 0.00 H new ATOM 697 N GLN A 47 -9.853 6.832 -1.281 1.00 0.00 N ATOM 698 CA GLN A 47 -9.089 8.073 -1.303 1.00 0.00 C ATOM 699 C GLN A 47 -7.590 7.790 -1.340 1.00 0.00 C ATOM 700 O GLN A 47 -6.923 8.061 -2.337 1.00 0.00 O ATOM 701 CB GLN A 47 -9.428 8.928 -0.081 1.00 0.00 C ATOM 702 CG GLN A 47 -10.761 9.651 -0.196 1.00 0.00 C ATOM 703 CD GLN A 47 -11.016 10.592 0.965 1.00 0.00 C ATOM 704 OE1 GLN A 47 -11.326 10.158 2.074 1.00 0.00 O ATOM 705 NE2 GLN A 47 -10.887 11.890 0.714 1.00 0.00 N ATOM 0 H GLN A 47 -9.733 6.278 -0.433 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.360 8.620 -2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.444 8.292 0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.637 9.663 0.069 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.785 10.215 -1.128 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.565 8.917 -0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -10.628 12.205 -0.221 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.047 12.571 1.456 1.00 0.00 H new ATOM 714 N GLN A 48 -7.070 7.243 -0.246 1.00 0.00 N ATOM 715 CA GLN A 48 -5.650 6.925 -0.153 1.00 0.00 C ATOM 716 C GLN A 48 -5.203 6.082 -1.343 1.00 0.00 C ATOM 717 O GLN A 48 -5.822 5.068 -1.666 1.00 0.00 O ATOM 718 CB GLN A 48 -5.357 6.183 1.152 1.00 0.00 C ATOM 719 CG GLN A 48 -6.123 4.878 1.296 1.00 0.00 C ATOM 720 CD GLN A 48 -5.810 4.157 2.592 1.00 0.00 C ATOM 721 OE1 GLN A 48 -5.393 4.772 3.573 1.00 0.00 O ATOM 722 NE2 GLN A 48 -6.011 2.844 2.603 1.00 0.00 N ATOM 0 H GLN A 48 -7.610 7.011 0.588 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.091 7.861 -0.164 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.288 5.976 1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.602 6.833 1.992 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.193 5.082 1.247 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.884 4.226 0.455 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.358 2.374 1.767 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.818 2.306 3.448 1.00 0.00 H new ATOM 731 N ARG A 49 -4.124 6.508 -1.991 1.00 0.00 N ATOM 732 CA ARG A 49 -3.594 5.793 -3.146 1.00 0.00 C ATOM 733 C ARG A 49 -2.178 5.294 -2.874 1.00 0.00 C ATOM 734 O ARG A 49 -1.423 5.914 -2.124 1.00 0.00 O ATOM 735 CB ARG A 49 -3.600 6.698 -4.379 1.00 0.00 C ATOM 736 CG ARG A 49 -3.474 5.941 -5.691 1.00 0.00 C ATOM 737 CD ARG A 49 -3.586 6.874 -6.886 1.00 0.00 C ATOM 738 NE ARG A 49 -3.548 6.148 -8.153 1.00 0.00 N ATOM 739 CZ ARG A 49 -3.654 6.736 -9.340 1.00 0.00 C ATOM 740 NH1 ARG A 49 -3.802 8.050 -9.422 1.00 0.00 N ATOM 741 NH2 ARG A 49 -3.610 6.007 -10.448 1.00 0.00 N ATOM 0 H ARG A 49 -3.599 7.345 -1.736 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.234 4.931 -3.334 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.524 7.276 -4.390 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.779 7.411 -4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.516 5.422 -5.722 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.251 5.179 -5.749 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.516 7.438 -6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.771 7.598 -6.858 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.434 5.135 -8.125 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.835 8.614 -8.572 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.883 8.498 -10.335 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.495 4.995 -10.389 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.691 6.458 -11.359 1.00 0.00 H new ATOM 755 N LEU A 50 -1.824 4.170 -3.488 1.00 0.00 N ATOM 756 CA LEU A 50 -0.499 3.587 -3.313 1.00 0.00 C ATOM 757 C LEU A 50 0.362 3.808 -4.553 1.00 0.00 C ATOM 758 O LEU A 50 -0.120 3.710 -5.682 1.00 0.00 O ATOM 759 CB LEU A 50 -0.613 2.091 -3.018 1.00 0.00 C ATOM 760 CG LEU A 50 -1.322 1.715 -1.716 1.00 0.00 C ATOM 761 CD1 LEU A 50 -1.334 0.206 -1.531 1.00 0.00 C ATOM 762 CD2 LEU A 50 -0.653 2.395 -0.530 1.00 0.00 C ATOM 0 H LEU A 50 -2.437 3.644 -4.112 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.021 4.082 -2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.141 1.617 -3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.391 1.668 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.354 2.061 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.843 -0.042 -0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.859 -0.259 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.309 -0.164 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.170 2.117 0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.389 2.080 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.698 3.477 -0.658 1.00 0.00 H new ATOM 774 N LEU A 51 1.638 4.106 -4.335 1.00 0.00 N ATOM 775 CA LEU A 51 2.568 4.339 -5.435 1.00 0.00 C ATOM 776 C LEU A 51 3.884 3.604 -5.201 1.00 0.00 C ATOM 777 O LEU A 51 4.322 3.443 -4.062 1.00 0.00 O ATOM 778 CB LEU A 51 2.829 5.837 -5.599 1.00 0.00 C ATOM 779 CG LEU A 51 1.742 6.634 -6.321 1.00 0.00 C ATOM 780 CD1 LEU A 51 1.897 8.121 -6.045 1.00 0.00 C ATOM 781 CD2 LEU A 51 1.786 6.359 -7.817 1.00 0.00 C ATOM 0 H LEU A 51 2.052 4.192 -3.407 1.00 0.00 H new ATOM 0 HA LEU A 51 2.116 3.953 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.972 6.271 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.766 5.965 -6.142 1.00 0.00 H new ATOM 0 HG LEU A 51 0.771 6.316 -5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.115 8.671 -6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.815 8.303 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.873 8.456 -6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.006 6.934 -8.316 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.760 6.649 -8.212 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.624 5.296 -7.996 1.00 0.00 H new ATOM 793 N PHE A 52 4.510 3.162 -6.286 1.00 0.00 N ATOM 794 CA PHE A 52 5.777 2.445 -6.199 1.00 0.00 C ATOM 795 C PHE A 52 6.772 2.973 -7.229 1.00 0.00 C ATOM 796 O PHE A 52 6.623 2.742 -8.429 1.00 0.00 O ATOM 797 CB PHE A 52 5.554 0.946 -6.411 1.00 0.00 C ATOM 798 CG PHE A 52 6.818 0.138 -6.346 1.00 0.00 C ATOM 799 CD1 PHE A 52 7.436 -0.111 -5.132 1.00 0.00 C ATOM 800 CD2 PHE A 52 7.389 -0.374 -7.501 1.00 0.00 C ATOM 801 CE1 PHE A 52 8.600 -0.854 -5.070 1.00 0.00 C ATOM 802 CE2 PHE A 52 8.552 -1.118 -7.445 1.00 0.00 C ATOM 803 CZ PHE A 52 9.158 -1.359 -6.228 1.00 0.00 C ATOM 0 H PHE A 52 4.161 3.288 -7.236 1.00 0.00 H new ATOM 0 HA PHE A 52 6.190 2.607 -5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.859 0.580 -5.656 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.082 0.790 -7.381 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.003 0.280 -4.223 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.919 -0.189 -8.456 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.073 -1.039 -4.117 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.987 -1.511 -8.352 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.066 -1.941 -6.182 1.00 0.00 H new ATOM 813 N LYS A 53 7.787 3.684 -6.750 1.00 0.00 N ATOM 814 CA LYS A 53 8.809 4.246 -7.626 1.00 0.00 C ATOM 815 C LYS A 53 8.175 5.063 -8.747 1.00 0.00 C ATOM 816 O LYS A 53 8.732 5.173 -9.839 1.00 0.00 O ATOM 817 CB LYS A 53 9.671 3.129 -8.219 1.00 0.00 C ATOM 818 CG LYS A 53 10.642 2.517 -7.224 1.00 0.00 C ATOM 819 CD LYS A 53 11.674 1.643 -7.916 1.00 0.00 C ATOM 820 CE LYS A 53 12.753 1.181 -6.949 1.00 0.00 C ATOM 821 NZ LYS A 53 13.610 2.310 -6.494 1.00 0.00 N ATOM 0 H LYS A 53 7.924 3.885 -5.759 1.00 0.00 H new ATOM 0 HA LYS A 53 9.440 4.907 -7.031 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.020 2.346 -8.607 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.232 3.525 -9.065 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.147 3.310 -6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.091 1.923 -6.495 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.182 0.775 -8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.132 2.198 -8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.287 0.707 -6.085 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.373 0.425 -7.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.472 1.934 -6.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.869 2.900 -7.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.088 2.886 -5.803 1.00 0.00 H new ATOM 835 N GLY A 54 7.007 5.635 -8.470 1.00 0.00 N ATOM 836 CA GLY A 54 6.318 6.435 -9.465 1.00 0.00 C ATOM 837 C GLY A 54 5.415 5.604 -10.354 1.00 0.00 C ATOM 838 O GLY A 54 5.060 6.022 -11.456 1.00 0.00 O ATOM 0 H GLY A 54 6.526 5.558 -7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.725 7.200 -8.964 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.052 6.954 -10.082 1.00 0.00 H new ATOM 842 N LYS A 55 5.042 4.422 -9.875 1.00 0.00 N ATOM 843 CA LYS A 55 4.175 3.528 -10.633 1.00 0.00 C ATOM 844 C LYS A 55 2.807 3.403 -9.969 1.00 0.00 C ATOM 845 O LYS A 55 2.704 3.002 -8.810 1.00 0.00 O ATOM 846 CB LYS A 55 4.819 2.145 -10.761 1.00 0.00 C ATOM 847 CG LYS A 55 3.954 1.137 -11.496 1.00 0.00 C ATOM 848 CD LYS A 55 4.134 1.240 -13.001 1.00 0.00 C ATOM 849 CE LYS A 55 5.369 0.485 -13.468 1.00 0.00 C ATOM 850 NZ LYS A 55 5.224 -0.985 -13.282 1.00 0.00 N ATOM 0 H LYS A 55 5.327 4.061 -8.965 1.00 0.00 H new ATOM 0 HA LYS A 55 4.039 3.953 -11.628 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.771 2.244 -11.283 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.040 1.763 -9.764 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.208 0.130 -11.166 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.907 1.301 -11.242 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.252 0.842 -13.502 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.217 2.288 -13.288 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.551 0.702 -14.521 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.240 0.837 -12.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.877 -1.482 -13.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.447 -1.234 -12.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.246 -1.267 -13.497 1.00 0.00 H new ATOM 864 N ALA A 56 1.760 3.749 -10.711 1.00 0.00 N ATOM 865 CA ALA A 56 0.399 3.672 -10.195 1.00 0.00 C ATOM 866 C ALA A 56 -0.089 2.228 -10.147 1.00 0.00 C ATOM 867 O ALA A 56 -0.146 1.547 -11.172 1.00 0.00 O ATOM 868 CB ALA A 56 -0.536 4.520 -11.044 1.00 0.00 C ATOM 0 H ALA A 56 1.828 4.085 -11.671 1.00 0.00 H new ATOM 0 HA ALA A 56 0.400 4.061 -9.177 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.549 4.453 -10.647 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.206 5.559 -11.022 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.524 4.157 -12.072 1.00 0.00 H new ATOM 874 N LEU A 57 -0.440 1.767 -8.952 1.00 0.00 N ATOM 875 CA LEU A 57 -0.924 0.402 -8.771 1.00 0.00 C ATOM 876 C LEU A 57 -2.428 0.322 -9.010 1.00 0.00 C ATOM 877 O LEU A 57 -3.168 1.252 -8.693 1.00 0.00 O ATOM 878 CB LEU A 57 -0.593 -0.094 -7.362 1.00 0.00 C ATOM 879 CG LEU A 57 0.714 0.421 -6.759 1.00 0.00 C ATOM 880 CD1 LEU A 57 0.893 -0.105 -5.343 1.00 0.00 C ATOM 881 CD2 LEU A 57 1.897 0.024 -7.630 1.00 0.00 C ATOM 0 H LEU A 57 -0.399 2.317 -8.094 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.424 -0.235 -9.501 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.411 0.186 -6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.557 -1.183 -7.381 1.00 0.00 H new ATOM 0 HG LEU A 57 0.668 1.509 -6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.829 0.272 -4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.062 0.230 -4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.917 -1.195 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.819 0.399 -7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.946 -1.062 -7.704 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.775 0.450 -8.626 1.00 0.00 H new ATOM 893 N ALA A 58 -2.873 -0.798 -9.571 1.00 0.00 N ATOM 894 CA ALA A 58 -4.289 -1.002 -9.849 1.00 0.00 C ATOM 895 C ALA A 58 -4.884 -2.057 -8.922 1.00 0.00 C ATOM 896 O ALA A 58 -4.359 -3.164 -8.807 1.00 0.00 O ATOM 897 CB ALA A 58 -4.489 -1.402 -11.303 1.00 0.00 C ATOM 0 H ALA A 58 -2.273 -1.577 -9.842 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.809 -0.061 -9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.551 -1.551 -11.497 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.109 -0.614 -11.953 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.950 -2.328 -11.503 1.00 0.00 H new ATOM 903 N ASP A 59 -5.982 -1.705 -8.262 1.00 0.00 N ATOM 904 CA ASP A 59 -6.649 -2.622 -7.345 1.00 0.00 C ATOM 905 C ASP A 59 -6.896 -3.973 -8.010 1.00 0.00 C ATOM 906 O ASP A 59 -7.174 -4.045 -9.206 1.00 0.00 O ATOM 907 CB ASP A 59 -7.974 -2.025 -6.866 1.00 0.00 C ATOM 908 CG ASP A 59 -8.968 -1.842 -7.996 1.00 0.00 C ATOM 909 OD1 ASP A 59 -9.400 -2.860 -8.576 1.00 0.00 O ATOM 910 OD2 ASP A 59 -9.313 -0.681 -8.301 1.00 0.00 O ATOM 0 H ASP A 59 -6.429 -0.792 -8.345 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.997 -2.775 -6.485 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.408 -2.674 -6.106 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.785 -1.062 -6.392 1.00 0.00 H new ATOM 915 N GLY A 60 -6.792 -5.041 -7.225 1.00 0.00 N ATOM 916 CA GLY A 60 -7.006 -6.375 -7.756 1.00 0.00 C ATOM 917 C GLY A 60 -5.707 -7.086 -8.078 1.00 0.00 C ATOM 918 O GLY A 60 -5.493 -8.224 -7.661 1.00 0.00 O ATOM 0 H GLY A 60 -6.564 -5.007 -6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.570 -6.964 -7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.615 -6.310 -8.658 1.00 0.00 H new ATOM 922 N LYS A 61 -4.837 -6.415 -8.826 1.00 0.00 N ATOM 923 CA LYS A 61 -3.551 -6.988 -9.205 1.00 0.00 C ATOM 924 C LYS A 61 -2.754 -7.400 -7.972 1.00 0.00 C ATOM 925 O LYS A 61 -3.199 -7.208 -6.840 1.00 0.00 O ATOM 926 CB LYS A 61 -2.747 -5.985 -10.035 1.00 0.00 C ATOM 927 CG LYS A 61 -3.253 -5.828 -11.458 1.00 0.00 C ATOM 928 CD LYS A 61 -2.141 -5.398 -12.401 1.00 0.00 C ATOM 929 CE LYS A 61 -2.643 -5.266 -13.831 1.00 0.00 C ATOM 930 NZ LYS A 61 -1.684 -4.515 -14.688 1.00 0.00 N ATOM 0 H LYS A 61 -5.000 -5.473 -9.182 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.741 -7.877 -9.806 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.772 -5.014 -9.540 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.704 -6.302 -10.062 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.677 -6.772 -11.801 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.056 -5.091 -11.480 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.729 -4.445 -12.069 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.330 -6.125 -12.365 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.806 -6.258 -14.252 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.607 -4.757 -13.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.062 -4.447 -15.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.547 -3.559 -14.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.772 -5.014 -14.708 1.00 0.00 H new ATOM 944 N ARG A 62 -1.572 -7.965 -8.198 1.00 0.00 N ATOM 945 CA ARG A 62 -0.713 -8.403 -7.105 1.00 0.00 C ATOM 946 C ARG A 62 0.632 -7.685 -7.150 1.00 0.00 C ATOM 947 O ARG A 62 1.186 -7.448 -8.224 1.00 0.00 O ATOM 948 CB ARG A 62 -0.498 -9.917 -7.172 1.00 0.00 C ATOM 949 CG ARG A 62 -1.790 -10.713 -7.244 1.00 0.00 C ATOM 950 CD ARG A 62 -1.579 -12.059 -7.920 1.00 0.00 C ATOM 951 NE ARG A 62 -2.843 -12.728 -8.215 1.00 0.00 N ATOM 952 CZ ARG A 62 -3.555 -13.386 -7.308 1.00 0.00 C ATOM 953 NH1 ARG A 62 -3.130 -13.464 -6.055 1.00 0.00 N ATOM 954 NH2 ARG A 62 -4.696 -13.969 -7.654 1.00 0.00 N ATOM 0 H ARG A 62 -1.188 -8.130 -9.128 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.207 -8.154 -6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.112 -10.151 -8.045 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.066 -10.234 -6.295 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.180 -10.867 -6.238 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.540 -10.143 -7.793 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.020 -11.916 -8.845 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.973 -12.697 -7.276 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.198 -12.688 -9.170 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.253 -13.018 -5.785 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.680 -13.970 -5.361 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.026 -13.912 -8.617 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.242 -14.474 -6.957 1.00 0.00 H new ATOM 968 N LEU A 63 1.152 -7.340 -5.977 1.00 0.00 N ATOM 969 CA LEU A 63 2.433 -6.648 -5.881 1.00 0.00 C ATOM 970 C LEU A 63 3.517 -7.401 -6.646 1.00 0.00 C ATOM 971 O LEU A 63 4.352 -6.794 -7.317 1.00 0.00 O ATOM 972 CB LEU A 63 2.842 -6.491 -4.416 1.00 0.00 C ATOM 973 CG LEU A 63 2.186 -5.337 -3.656 1.00 0.00 C ATOM 974 CD1 LEU A 63 2.544 -5.399 -2.179 1.00 0.00 C ATOM 975 CD2 LEU A 63 2.603 -4.001 -4.252 1.00 0.00 C ATOM 0 H LEU A 63 0.706 -7.528 -5.079 1.00 0.00 H new ATOM 0 HA LEU A 63 2.319 -5.660 -6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.613 -7.420 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.923 -6.360 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 63 1.104 -5.433 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.069 -4.570 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.195 -6.342 -1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.626 -5.329 -2.064 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.127 -3.191 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.686 -3.896 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.295 -3.957 -5.297 1.00 0.00 H new ATOM 987 N SER A 64 3.496 -8.726 -6.541 1.00 0.00 N ATOM 988 CA SER A 64 4.479 -9.561 -7.222 1.00 0.00 C ATOM 989 C SER A 64 4.458 -9.308 -8.726 1.00 0.00 C ATOM 990 O SER A 64 5.417 -9.621 -9.432 1.00 0.00 O ATOM 991 CB SER A 64 4.206 -11.040 -6.938 1.00 0.00 C ATOM 992 OG SER A 64 2.909 -11.411 -7.372 1.00 0.00 O ATOM 0 H SER A 64 2.810 -9.244 -5.992 1.00 0.00 H new ATOM 0 HA SER A 64 5.467 -9.301 -6.842 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.952 -11.654 -7.443 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.305 -11.233 -5.870 1.00 0.00 H new ATOM 0 HG SER A 64 2.759 -12.361 -7.181 1.00 0.00 H new ATOM 998 N ASP A 65 3.359 -8.740 -9.209 1.00 0.00 N ATOM 999 CA ASP A 65 3.213 -8.443 -10.629 1.00 0.00 C ATOM 1000 C ASP A 65 3.848 -7.099 -10.972 1.00 0.00 C ATOM 1001 O ASP A 65 4.307 -6.886 -12.094 1.00 0.00 O ATOM 1002 CB ASP A 65 1.734 -8.438 -11.021 1.00 0.00 C ATOM 1003 CG ASP A 65 1.527 -8.149 -12.495 1.00 0.00 C ATOM 1004 OD1 ASP A 65 1.528 -9.109 -13.294 1.00 0.00 O ATOM 1005 OD2 ASP A 65 1.363 -6.963 -12.849 1.00 0.00 O ATOM 0 H ASP A 65 2.556 -8.476 -8.638 1.00 0.00 H new ATOM 0 HA ASP A 65 3.728 -9.221 -11.193 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.293 -9.405 -10.778 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.207 -7.690 -10.429 1.00 0.00 H new ATOM 1010 N TYR A 66 3.869 -6.195 -9.998 1.00 0.00 N ATOM 1011 CA TYR A 66 4.444 -4.870 -10.198 1.00 0.00 C ATOM 1012 C TYR A 66 5.942 -4.877 -9.908 1.00 0.00 C ATOM 1013 O TYR A 66 6.571 -3.824 -9.808 1.00 0.00 O ATOM 1014 CB TYR A 66 3.744 -3.848 -9.301 1.00 0.00 C ATOM 1015 CG TYR A 66 2.377 -3.440 -9.800 1.00 0.00 C ATOM 1016 CD1 TYR A 66 2.235 -2.456 -10.771 1.00 0.00 C ATOM 1017 CD2 TYR A 66 1.226 -4.038 -9.301 1.00 0.00 C ATOM 1018 CE1 TYR A 66 0.987 -2.080 -11.229 1.00 0.00 C ATOM 1019 CE2 TYR A 66 -0.025 -3.669 -9.754 1.00 0.00 C ATOM 1020 CZ TYR A 66 -0.140 -2.689 -10.718 1.00 0.00 C ATOM 1021 OH TYR A 66 -1.384 -2.318 -11.173 1.00 0.00 O ATOM 0 H TYR A 66 3.495 -6.356 -9.063 1.00 0.00 H new ATOM 0 HA TYR A 66 4.296 -4.590 -11.241 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.646 -4.264 -8.298 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.371 -2.960 -9.218 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.115 -1.977 -11.174 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.312 -4.805 -8.545 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.894 -1.313 -11.984 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.909 -4.145 -9.356 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.316 -2.020 -12.104 1.00 0.00 H new ATOM 1031 N SER A 67 6.506 -6.073 -9.774 1.00 0.00 N ATOM 1032 CA SER A 67 7.930 -6.219 -9.493 1.00 0.00 C ATOM 1033 C SER A 67 8.285 -5.589 -8.150 1.00 0.00 C ATOM 1034 O SER A 67 9.401 -5.104 -7.956 1.00 0.00 O ATOM 1035 CB SER A 67 8.760 -5.578 -10.606 1.00 0.00 C ATOM 1036 OG SER A 67 10.103 -6.026 -10.563 1.00 0.00 O ATOM 0 H SER A 67 5.999 -6.955 -9.855 1.00 0.00 H new ATOM 0 HA SER A 67 8.159 -7.284 -9.447 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.323 -5.820 -11.575 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.732 -4.493 -10.506 1.00 0.00 H new ATOM 0 HG SER A 67 10.458 -5.909 -9.657 1.00 0.00 H new ATOM 1042 N ILE A 68 7.330 -5.599 -7.227 1.00 0.00 N ATOM 1043 CA ILE A 68 7.542 -5.030 -5.902 1.00 0.00 C ATOM 1044 C ILE A 68 7.821 -6.120 -4.873 1.00 0.00 C ATOM 1045 O ILE A 68 6.906 -6.795 -4.405 1.00 0.00 O ATOM 1046 CB ILE A 68 6.325 -4.205 -5.442 1.00 0.00 C ATOM 1047 CG1 ILE A 68 6.084 -3.034 -6.397 1.00 0.00 C ATOM 1048 CG2 ILE A 68 6.532 -3.703 -4.021 1.00 0.00 C ATOM 1049 CD1 ILE A 68 4.765 -2.330 -6.169 1.00 0.00 C ATOM 0 H ILE A 68 6.401 -5.995 -7.372 1.00 0.00 H new ATOM 0 HA ILE A 68 8.409 -4.374 -5.976 1.00 0.00 H new ATOM 0 HB ILE A 68 5.444 -4.847 -5.455 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.895 -2.314 -6.288 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.119 -3.400 -7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.664 -3.122 -3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.659 -4.552 -3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.422 -3.074 -3.983 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.662 -1.511 -6.881 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.947 -3.037 -6.307 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.735 -1.934 -5.154 1.00 0.00 H new ATOM 1061 N GLY A 69 9.094 -6.285 -4.524 1.00 0.00 N ATOM 1062 CA GLY A 69 9.472 -7.293 -3.551 1.00 0.00 C ATOM 1063 C GLY A 69 9.395 -6.782 -2.127 1.00 0.00 C ATOM 1064 O GLY A 69 8.695 -5.814 -1.829 1.00 0.00 O ATOM 0 H GLY A 69 9.870 -5.738 -4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.820 -8.160 -3.658 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.487 -7.631 -3.758 1.00 0.00 H new ATOM 1068 N PRO A 70 10.128 -7.441 -1.217 1.00 0.00 N ATOM 1069 CA PRO A 70 10.156 -7.066 0.200 1.00 0.00 C ATOM 1070 C PRO A 70 10.877 -5.743 0.435 1.00 0.00 C ATOM 1071 O PRO A 70 11.416 -5.146 -0.496 1.00 0.00 O ATOM 1072 CB PRO A 70 10.923 -8.216 0.856 1.00 0.00 C ATOM 1073 CG PRO A 70 11.773 -8.775 -0.232 1.00 0.00 C ATOM 1074 CD PRO A 70 10.985 -8.604 -1.502 1.00 0.00 C ATOM 0 HA PRO A 70 9.154 -6.919 0.603 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.529 -7.862 1.690 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.243 -8.969 1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.727 -8.250 -0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 70 11.998 -9.826 -0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.636 -8.424 -2.358 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.395 -9.491 -1.732 1.00 0.00 H new ATOM 1082 N ASN A 71 10.882 -5.291 1.684 1.00 0.00 N ATOM 1083 CA ASN A 71 11.537 -4.038 2.041 1.00 0.00 C ATOM 1084 C ASN A 71 11.205 -2.943 1.031 1.00 0.00 C ATOM 1085 O ASN A 71 12.064 -2.142 0.664 1.00 0.00 O ATOM 1086 CB ASN A 71 13.053 -4.234 2.117 1.00 0.00 C ATOM 1087 CG ASN A 71 13.487 -4.887 3.415 1.00 0.00 C ATOM 1088 OD1 ASN A 71 13.877 -6.055 3.435 1.00 0.00 O ATOM 1089 ND2 ASN A 71 13.421 -4.135 4.507 1.00 0.00 N ATOM 0 H ASN A 71 10.440 -5.774 2.466 1.00 0.00 H new ATOM 0 HA ASN A 71 11.167 -3.730 3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.380 -4.848 1.278 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.547 -3.268 2.017 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.700 -4.520 5.409 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.092 -3.172 4.444 1.00 0.00 H new ATOM 1096 N SER A 72 9.953 -2.916 0.587 1.00 0.00 N ATOM 1097 CA SER A 72 9.507 -1.923 -0.383 1.00 0.00 C ATOM 1098 C SER A 72 8.739 -0.798 0.305 1.00 0.00 C ATOM 1099 O SER A 72 7.815 -1.045 1.080 1.00 0.00 O ATOM 1100 CB SER A 72 8.627 -2.579 -1.449 1.00 0.00 C ATOM 1101 OG SER A 72 9.414 -3.245 -2.420 1.00 0.00 O ATOM 0 H SER A 72 9.229 -3.571 0.884 1.00 0.00 H new ATOM 0 HA SER A 72 10.389 -1.498 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.948 -3.289 -0.978 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.011 -1.821 -1.933 1.00 0.00 H new ATOM 0 HG SER A 72 9.324 -4.214 -2.305 1.00 0.00 H new ATOM 1107 N LYS A 73 9.129 0.439 0.017 1.00 0.00 N ATOM 1108 CA LYS A 73 8.479 1.603 0.605 1.00 0.00 C ATOM 1109 C LYS A 73 7.449 2.194 -0.353 1.00 0.00 C ATOM 1110 O LYS A 73 7.804 2.792 -1.369 1.00 0.00 O ATOM 1111 CB LYS A 73 9.520 2.664 0.970 1.00 0.00 C ATOM 1112 CG LYS A 73 10.290 2.349 2.240 1.00 0.00 C ATOM 1113 CD LYS A 73 11.236 3.479 2.614 1.00 0.00 C ATOM 1114 CE LYS A 73 11.691 3.369 4.061 1.00 0.00 C ATOM 1115 NZ LYS A 73 12.668 2.262 4.252 1.00 0.00 N ATOM 0 H LYS A 73 9.893 0.661 -0.621 1.00 0.00 H new ATOM 0 HA LYS A 73 7.964 1.281 1.510 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.224 2.769 0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.021 3.626 1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.590 2.174 3.057 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.857 1.428 2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.105 3.460 1.956 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.739 4.437 2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.144 4.311 4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.825 3.204 4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.954 2.220 5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.228 1.360 3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.505 2.432 3.659 1.00 0.00 H new ATOM 1129 N LEU A 74 6.174 2.023 -0.022 1.00 0.00 N ATOM 1130 CA LEU A 74 5.093 2.541 -0.853 1.00 0.00 C ATOM 1131 C LEU A 74 4.698 3.949 -0.418 1.00 0.00 C ATOM 1132 O LEU A 74 4.788 4.293 0.759 1.00 0.00 O ATOM 1133 CB LEU A 74 3.878 1.614 -0.781 1.00 0.00 C ATOM 1134 CG LEU A 74 4.003 0.286 -1.529 1.00 0.00 C ATOM 1135 CD1 LEU A 74 3.175 -0.792 -0.845 1.00 0.00 C ATOM 1136 CD2 LEU A 74 3.574 0.449 -2.980 1.00 0.00 C ATOM 0 H LEU A 74 5.864 1.530 0.815 1.00 0.00 H new ATOM 0 HA LEU A 74 5.449 2.585 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.671 1.400 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.014 2.149 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 74 5.049 -0.022 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.276 -1.730 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.528 -0.928 0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.127 -0.492 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.669 -0.506 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.536 0.780 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.209 1.190 -3.466 1.00 0.00 H new ATOM 1148 N ASN A 75 4.259 4.758 -1.377 1.00 0.00 N ATOM 1149 CA ASN A 75 3.848 6.128 -1.093 1.00 0.00 C ATOM 1150 C ASN A 75 2.329 6.235 -1.012 1.00 0.00 C ATOM 1151 O ASN A 75 1.610 5.639 -1.815 1.00 0.00 O ATOM 1152 CB ASN A 75 4.381 7.076 -2.170 1.00 0.00 C ATOM 1153 CG ASN A 75 4.646 8.469 -1.634 1.00 0.00 C ATOM 1154 OD1 ASN A 75 3.827 9.374 -1.792 1.00 0.00 O ATOM 1155 ND2 ASN A 75 5.797 8.648 -0.995 1.00 0.00 N ATOM 0 H ASN A 75 4.179 4.488 -2.357 1.00 0.00 H new ATOM 0 HA ASN A 75 4.266 6.413 -0.128 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.302 6.668 -2.585 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.662 7.135 -2.987 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.031 9.564 -0.612 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.447 7.869 -0.887 1.00 0.00 H new ATOM 1162 N LEU A 76 1.846 6.998 -0.038 1.00 0.00 N ATOM 1163 CA LEU A 76 0.411 7.185 0.149 1.00 0.00 C ATOM 1164 C LEU A 76 -0.022 8.573 -0.312 1.00 0.00 C ATOM 1165 O LEU A 76 0.542 9.583 0.109 1.00 0.00 O ATOM 1166 CB LEU A 76 0.038 6.984 1.619 1.00 0.00 C ATOM 1167 CG LEU A 76 -1.416 6.597 1.895 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -1.789 5.339 1.126 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -1.640 6.399 3.387 1.00 0.00 C ATOM 0 H LEU A 76 2.427 7.498 0.635 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.109 6.443 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.684 6.211 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.256 7.906 2.158 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.059 7.409 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.827 5.079 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.667 5.516 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.141 4.519 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.680 6.124 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.987 5.605 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.414 7.325 3.915 1.00 0.00 H new ATOM 1181 N VAL A 77 -1.029 8.615 -1.179 1.00 0.00 N ATOM 1182 CA VAL A 77 -1.540 9.879 -1.696 1.00 0.00 C ATOM 1183 C VAL A 77 -3.006 10.072 -1.321 1.00 0.00 C ATOM 1184 O VAL A 77 -3.806 9.140 -1.399 1.00 0.00 O ATOM 1185 CB VAL A 77 -1.399 9.958 -3.227 1.00 0.00 C ATOM 1186 CG1 VAL A 77 -1.704 11.364 -3.720 1.00 0.00 C ATOM 1187 CG2 VAL A 77 -0.005 9.525 -3.656 1.00 0.00 C ATOM 0 H VAL A 77 -1.507 7.788 -1.538 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.944 10.671 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.121 9.277 -3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.599 11.400 -4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.724 11.633 -3.445 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.008 12.068 -3.264 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.077 9.587 -4.741 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.736 10.180 -3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.171 8.498 -3.337 1.00 0.00 H new ATOM 1197 N VAL A 78 -3.351 11.290 -0.914 1.00 0.00 N ATOM 1198 CA VAL A 78 -4.720 11.608 -0.529 1.00 0.00 C ATOM 1199 C VAL A 78 -5.470 12.283 -1.672 1.00 0.00 C ATOM 1200 O VAL A 78 -5.138 13.399 -2.073 1.00 0.00 O ATOM 1201 CB VAL A 78 -4.757 12.525 0.708 1.00 0.00 C ATOM 1202 CG1 VAL A 78 -6.194 12.840 1.097 1.00 0.00 C ATOM 1203 CG2 VAL A 78 -4.010 11.884 1.868 1.00 0.00 C ATOM 0 H VAL A 78 -2.700 12.072 -0.843 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.208 10.664 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.260 13.463 0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.200 13.489 1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.693 13.343 0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.720 11.914 1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.046 12.545 2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.477 10.931 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.971 11.715 1.583 1.00 0.00 H new