USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 617 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 63 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 64 GLN : amide:sc=-0.00688 K(o=-0.0069,f=-1.4!) USER MOD Set 2.1: A 13 GLN : amide:sc= -0.0168 X(o=-0.017,f=0) USER MOD Set 2.2: A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.903 X(o=-0.9,f=-1.4) USER MOD Single : A 17 ASN : amide:sc= -1.31 K(o=-1.3,f=-9.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= 0.148 (180deg=0.136) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0874 USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00771) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.86 USER MOD Single : A 31 GLN : amide:sc= -0.155 K(o=-0.16,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.274 K(o=-0.27,f=-2.4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= 1.36 (180deg=1.07) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -79:sc= 0.652 USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.814 7.310 -13.706 1.00 0.00 N ATOM 60 CA GLY A 7 5.645 6.452 -13.796 1.00 0.00 C ATOM 61 C GLY A 7 4.984 6.281 -12.427 1.00 0.00 C ATOM 62 O GLY A 7 5.208 5.281 -11.745 1.00 0.00 O ATOM 0 HA2 GLY A 7 4.929 6.879 -14.499 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.934 5.477 -14.189 1.00 0.00 H new ATOM 66 N LEU A 8 4.183 7.272 -12.064 1.00 0.00 N ATOM 67 CA LEU A 8 3.488 7.244 -10.789 1.00 0.00 C ATOM 68 C LEU A 8 2.991 5.823 -10.514 1.00 0.00 C ATOM 69 O LEU A 8 3.455 5.169 -9.582 1.00 0.00 O ATOM 70 CB LEU A 8 2.380 8.299 -10.759 1.00 0.00 C ATOM 71 CG LEU A 8 2.838 9.747 -10.571 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.674 10.720 -10.771 1.00 0.00 C ATOM 73 CD2 LEU A 8 3.517 9.936 -9.213 1.00 0.00 C ATOM 0 H LEU A 8 4.000 8.100 -12.631 1.00 0.00 H new ATOM 0 HA LEU A 8 4.169 7.506 -9.979 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.819 8.234 -11.691 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.690 8.050 -9.953 1.00 0.00 H new ATOM 0 HG LEU A 8 3.581 9.972 -11.336 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.026 11.742 -10.632 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.275 10.608 -11.779 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.890 10.504 -10.045 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.833 10.974 -9.105 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.815 9.686 -8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.388 9.283 -9.147 1.00 0.00 H new ATOM 85 N ARG A 9 2.054 5.388 -11.343 1.00 0.00 N ATOM 86 CA ARG A 9 1.489 4.056 -11.202 1.00 0.00 C ATOM 87 C ARG A 9 2.592 3.043 -10.890 1.00 0.00 C ATOM 88 O ARG A 9 2.426 2.188 -10.021 1.00 0.00 O ATOM 89 CB ARG A 9 0.759 3.629 -12.477 1.00 0.00 C ATOM 90 CG ARG A 9 -0.542 2.897 -12.145 1.00 0.00 C ATOM 91 CD ARG A 9 -0.917 1.913 -13.254 1.00 0.00 C ATOM 92 NE ARG A 9 0.135 0.881 -13.391 1.00 0.00 N ATOM 93 CZ ARG A 9 1.138 0.943 -14.277 1.00 0.00 C ATOM 94 NH1 ARG A 9 1.232 1.989 -15.110 1.00 0.00 N ATOM 95 NH2 ARG A 9 2.048 -0.040 -14.330 1.00 0.00 N ATOM 0 H ARG A 9 1.671 5.934 -12.115 1.00 0.00 H new ATOM 0 HA ARG A 9 0.773 4.084 -10.380 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.542 4.506 -13.087 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.404 2.981 -13.070 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.432 2.362 -11.202 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.346 3.621 -12.009 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.873 1.442 -13.026 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.041 2.445 -14.197 1.00 0.00 H new ATOM 0 HE ARG A 9 0.094 0.072 -12.772 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.540 2.737 -15.069 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.995 2.037 -15.785 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.977 -0.836 -13.696 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.811 0.008 -15.005 1.00 0.00 H new ATOM 109 N GLU A 10 3.693 3.172 -11.615 1.00 0.00 N ATOM 110 CA GLU A 10 4.823 2.278 -11.426 1.00 0.00 C ATOM 111 C GLU A 10 5.489 2.543 -10.074 1.00 0.00 C ATOM 112 O GLU A 10 5.932 1.612 -9.404 1.00 0.00 O ATOM 113 CB GLU A 10 5.829 2.416 -12.570 1.00 0.00 C ATOM 114 CG GLU A 10 5.866 1.148 -13.424 1.00 0.00 C ATOM 115 CD GLU A 10 7.011 0.229 -12.993 1.00 0.00 C ATOM 116 OE1 GLU A 10 7.165 0.052 -11.765 1.00 0.00 O ATOM 117 OE2 GLU A 10 7.707 -0.275 -13.901 1.00 0.00 O ATOM 0 H GLU A 10 3.827 3.882 -12.335 1.00 0.00 H new ATOM 0 HA GLU A 10 4.455 1.252 -11.433 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.562 3.270 -13.192 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.821 2.615 -12.165 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.917 0.618 -13.336 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.986 1.416 -14.474 1.00 0.00 H new ATOM 124 N GLN A 11 5.539 3.817 -9.715 1.00 0.00 N ATOM 125 CA GLN A 11 6.145 4.216 -8.456 1.00 0.00 C ATOM 126 C GLN A 11 5.475 3.485 -7.290 1.00 0.00 C ATOM 127 O GLN A 11 6.138 2.778 -6.533 1.00 0.00 O ATOM 128 CB GLN A 11 6.070 5.732 -8.268 1.00 0.00 C ATOM 129 CG GLN A 11 6.927 6.457 -9.308 1.00 0.00 C ATOM 130 CD GLN A 11 6.780 7.974 -9.179 1.00 0.00 C ATOM 131 OE1 GLN A 11 6.462 8.676 -10.126 1.00 0.00 O ATOM 132 NE2 GLN A 11 7.028 8.440 -7.959 1.00 0.00 N ATOM 0 H GLN A 11 5.170 4.586 -10.274 1.00 0.00 H new ATOM 0 HA GLN A 11 7.199 3.937 -8.477 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.034 6.062 -8.352 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.408 5.995 -7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.973 6.177 -9.181 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.632 6.143 -10.310 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.289 7.798 -7.211 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.957 9.440 -7.771 1.00 0.00 H new ATOM 141 N VAL A 12 4.169 3.682 -7.182 1.00 0.00 N ATOM 142 CA VAL A 12 3.402 3.051 -6.121 1.00 0.00 C ATOM 143 C VAL A 12 3.510 1.531 -6.255 1.00 0.00 C ATOM 144 O VAL A 12 3.821 0.839 -5.287 1.00 0.00 O ATOM 145 CB VAL A 12 1.957 3.553 -6.150 1.00 0.00 C ATOM 146 CG1 VAL A 12 1.186 3.074 -4.919 1.00 0.00 C ATOM 147 CG2 VAL A 12 1.909 5.078 -6.269 1.00 0.00 C ATOM 0 H VAL A 12 3.623 4.270 -7.812 1.00 0.00 H new ATOM 0 HA VAL A 12 3.806 3.321 -5.145 1.00 0.00 H new ATOM 0 HB VAL A 12 1.473 3.133 -7.032 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.162 3.445 -4.964 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.177 1.984 -4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.669 3.451 -4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.871 5.409 -6.288 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.417 5.526 -5.415 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.405 5.387 -7.189 1.00 0.00 H new ATOM 157 N GLN A 13 3.247 1.055 -7.464 1.00 0.00 N ATOM 158 CA GLN A 13 3.310 -0.370 -7.737 1.00 0.00 C ATOM 159 C GLN A 13 4.605 -0.961 -7.176 1.00 0.00 C ATOM 160 O GLN A 13 4.667 -2.152 -6.871 1.00 0.00 O ATOM 161 CB GLN A 13 3.186 -0.647 -9.237 1.00 0.00 C ATOM 162 CG GLN A 13 1.765 -1.083 -9.598 1.00 0.00 C ATOM 163 CD GLN A 13 1.757 -2.498 -10.182 1.00 0.00 C ATOM 164 OE1 GLN A 13 2.180 -3.457 -9.558 1.00 0.00 O ATOM 165 NE2 GLN A 13 1.254 -2.572 -11.411 1.00 0.00 N ATOM 0 H GLN A 13 2.990 1.632 -8.265 1.00 0.00 H new ATOM 0 HA GLN A 13 2.468 -0.853 -7.241 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.449 0.249 -9.799 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.893 -1.424 -9.527 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.134 -1.049 -8.710 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.339 -0.386 -10.319 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.917 -1.729 -11.876 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.205 -3.472 -11.889 1.00 0.00 H new ATOM 174 N ASP A 14 5.607 -0.102 -7.055 1.00 0.00 N ATOM 175 CA ASP A 14 6.896 -0.525 -6.536 1.00 0.00 C ATOM 176 C ASP A 14 6.940 -0.274 -5.027 1.00 0.00 C ATOM 177 O ASP A 14 7.499 -1.074 -4.278 1.00 0.00 O ATOM 178 CB ASP A 14 8.036 0.268 -7.180 1.00 0.00 C ATOM 179 CG ASP A 14 9.378 -0.464 -7.241 1.00 0.00 C ATOM 180 OD1 ASP A 14 9.466 -1.422 -8.039 1.00 0.00 O ATOM 181 OD2 ASP A 14 10.286 -0.048 -6.489 1.00 0.00 O ATOM 0 H ASP A 14 5.552 0.885 -7.308 1.00 0.00 H new ATOM 0 HA ASP A 14 7.020 -1.584 -6.762 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.742 0.541 -8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.171 1.197 -6.626 1.00 0.00 H new ATOM 186 N LEU A 15 6.343 0.838 -4.627 1.00 0.00 N ATOM 187 CA LEU A 15 6.307 1.204 -3.221 1.00 0.00 C ATOM 188 C LEU A 15 5.803 0.014 -2.402 1.00 0.00 C ATOM 189 O LEU A 15 6.573 -0.619 -1.681 1.00 0.00 O ATOM 190 CB LEU A 15 5.488 2.480 -3.020 1.00 0.00 C ATOM 191 CG LEU A 15 5.161 2.847 -1.571 1.00 0.00 C ATOM 192 CD1 LEU A 15 6.416 3.306 -0.825 1.00 0.00 C ATOM 193 CD2 LEU A 15 4.043 3.889 -1.507 1.00 0.00 C ATOM 0 H LEU A 15 5.880 1.498 -5.252 1.00 0.00 H new ATOM 0 HA LEU A 15 7.309 1.437 -2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.031 3.311 -3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.551 2.377 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 15 4.795 1.952 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.156 3.561 0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.153 2.503 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.834 4.182 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.831 4.131 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.356 4.791 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.145 3.488 -1.976 1.00 0.00 H new ATOM 205 N PHE A 16 4.513 -0.254 -2.539 1.00 0.00 N ATOM 206 CA PHE A 16 3.897 -1.356 -1.821 1.00 0.00 C ATOM 207 C PHE A 16 4.747 -2.624 -1.929 1.00 0.00 C ATOM 208 O PHE A 16 4.802 -3.421 -0.993 1.00 0.00 O ATOM 209 CB PHE A 16 2.537 -1.611 -2.474 1.00 0.00 C ATOM 210 CG PHE A 16 1.503 -0.515 -2.207 1.00 0.00 C ATOM 211 CD1 PHE A 16 1.424 0.060 -0.977 1.00 0.00 C ATOM 212 CD2 PHE A 16 0.664 -0.115 -3.200 1.00 0.00 C ATOM 213 CE1 PHE A 16 0.465 1.078 -0.729 1.00 0.00 C ATOM 214 CE2 PHE A 16 -0.294 0.903 -2.952 1.00 0.00 C ATOM 215 CZ PHE A 16 -0.374 1.478 -1.722 1.00 0.00 C ATOM 0 H PHE A 16 3.877 0.274 -3.137 1.00 0.00 H new ATOM 0 HA PHE A 16 3.800 -1.104 -0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.675 -1.711 -3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.145 -2.562 -2.113 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.091 -0.257 -0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.727 -0.572 -4.177 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.402 1.534 0.248 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.960 1.221 -3.741 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.103 2.252 -1.534 1.00 0.00 H new ATOM 225 N ASN A 17 5.388 -2.772 -3.079 1.00 0.00 N ATOM 226 CA ASN A 17 6.232 -3.929 -3.322 1.00 0.00 C ATOM 227 C ASN A 17 7.468 -3.851 -2.424 1.00 0.00 C ATOM 228 O ASN A 17 7.716 -4.750 -1.623 1.00 0.00 O ATOM 229 CB ASN A 17 6.705 -3.971 -4.776 1.00 0.00 C ATOM 230 CG ASN A 17 5.938 -5.028 -5.573 1.00 0.00 C ATOM 231 OD1 ASN A 17 5.171 -5.811 -5.037 1.00 0.00 O ATOM 232 ND2 ASN A 17 6.187 -5.006 -6.879 1.00 0.00 N ATOM 0 H ASN A 17 5.340 -2.109 -3.853 1.00 0.00 H new ATOM 0 HA ASN A 17 5.647 -4.824 -3.108 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.566 -2.992 -5.236 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.772 -4.190 -4.809 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.724 -5.672 -7.498 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.841 -4.323 -7.262 1.00 0.00 H new ATOM 239 N LYS A 18 8.211 -2.766 -2.588 1.00 0.00 N ATOM 240 CA LYS A 18 9.416 -2.558 -1.803 1.00 0.00 C ATOM 241 C LYS A 18 9.079 -2.691 -0.316 1.00 0.00 C ATOM 242 O LYS A 18 9.696 -3.482 0.395 1.00 0.00 O ATOM 243 CB LYS A 18 10.070 -1.224 -2.169 1.00 0.00 C ATOM 244 CG LYS A 18 11.595 -1.353 -2.205 1.00 0.00 C ATOM 245 CD LYS A 18 12.237 -0.592 -1.044 1.00 0.00 C ATOM 246 CE LYS A 18 13.577 -1.218 -0.653 1.00 0.00 C ATOM 247 NZ LYS A 18 14.241 -0.410 0.394 1.00 0.00 N ATOM 0 H LYS A 18 8.002 -2.022 -3.253 1.00 0.00 H new ATOM 0 HA LYS A 18 10.158 -3.323 -2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.706 -0.891 -3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.783 -0.463 -1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.876 -2.405 -2.154 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.974 -0.967 -3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.387 0.450 -1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.565 -0.596 -0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.419 -2.234 -0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.221 -1.289 -1.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.149 -0.849 0.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.410 0.552 0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.632 -0.364 1.236 1.00 0.00 H new ATOM 261 N LYS A 19 8.102 -1.904 0.109 1.00 0.00 N ATOM 262 CA LYS A 19 7.676 -1.923 1.498 1.00 0.00 C ATOM 263 C LYS A 19 7.603 -3.372 1.984 1.00 0.00 C ATOM 264 O LYS A 19 8.030 -3.680 3.096 1.00 0.00 O ATOM 265 CB LYS A 19 6.366 -1.151 1.668 1.00 0.00 C ATOM 266 CG LYS A 19 6.634 0.335 1.914 1.00 0.00 C ATOM 267 CD LYS A 19 6.922 0.603 3.393 1.00 0.00 C ATOM 268 CE LYS A 19 7.466 2.018 3.598 1.00 0.00 C ATOM 269 NZ LYS A 19 8.214 2.106 4.872 1.00 0.00 N ATOM 0 H LYS A 19 7.593 -1.249 -0.484 1.00 0.00 H new ATOM 0 HA LYS A 19 8.404 -1.411 2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.751 -1.271 0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.801 -1.566 2.503 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.481 0.660 1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.772 0.921 1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.009 0.473 3.974 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.643 -0.125 3.764 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.118 2.287 2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.643 2.733 3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.662 3.042 4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.560 1.970 5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.947 1.369 4.896 1.00 0.00 H new ATOM 283 N TYR A 20 7.060 -4.224 1.127 1.00 0.00 N ATOM 284 CA TYR A 20 6.926 -5.633 1.455 1.00 0.00 C ATOM 285 C TYR A 20 8.225 -6.184 2.046 1.00 0.00 C ATOM 286 O TYR A 20 8.225 -6.743 3.142 1.00 0.00 O ATOM 287 CB TYR A 20 6.636 -6.348 0.134 1.00 0.00 C ATOM 288 CG TYR A 20 5.865 -7.660 0.292 1.00 0.00 C ATOM 289 CD1 TYR A 20 4.616 -7.659 0.879 1.00 0.00 C ATOM 290 CD2 TYR A 20 6.418 -8.843 -0.152 1.00 0.00 C ATOM 291 CE1 TYR A 20 3.890 -8.894 1.029 1.00 0.00 C ATOM 292 CE2 TYR A 20 5.692 -10.078 -0.003 1.00 0.00 C ATOM 293 CZ TYR A 20 4.464 -10.042 0.580 1.00 0.00 C ATOM 294 OH TYR A 20 3.778 -11.208 0.721 1.00 0.00 O ATOM 0 H TYR A 20 6.708 -3.965 0.205 1.00 0.00 H new ATOM 0 HA TYR A 20 6.137 -5.782 2.192 1.00 0.00 H new ATOM 0 HB2 TYR A 20 6.066 -5.679 -0.512 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.580 -6.552 -0.372 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.183 -6.732 1.226 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.395 -8.843 -0.611 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.912 -8.908 1.488 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.113 -11.011 -0.346 1.00 0.00 H new ATOM 0 HH TYR A 20 4.309 -11.946 0.355 1.00 0.00 H new ATOM 304 N GLY A 21 9.301 -6.008 1.294 1.00 0.00 N ATOM 305 CA GLY A 21 10.604 -6.481 1.729 1.00 0.00 C ATOM 306 C GLY A 21 10.805 -6.234 3.226 1.00 0.00 C ATOM 307 O GLY A 21 11.379 -7.069 3.924 1.00 0.00 O ATOM 0 H GLY A 21 9.297 -5.544 0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.698 -7.546 1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.386 -5.973 1.165 1.00 0.00 H new ATOM 311 N GLU A 22 10.321 -5.085 3.674 1.00 0.00 N ATOM 312 CA GLU A 22 10.440 -4.719 5.075 1.00 0.00 C ATOM 313 C GLU A 22 9.512 -5.584 5.931 1.00 0.00 C ATOM 314 O GLU A 22 9.951 -6.197 6.903 1.00 0.00 O ATOM 315 CB GLU A 22 10.146 -3.231 5.279 1.00 0.00 C ATOM 316 CG GLU A 22 11.080 -2.366 4.431 1.00 0.00 C ATOM 317 CD GLU A 22 10.829 -0.878 4.683 1.00 0.00 C ATOM 318 OE1 GLU A 22 11.486 -0.339 5.601 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.987 -0.313 3.953 1.00 0.00 O ATOM 0 H GLU A 22 9.846 -4.395 3.092 1.00 0.00 H new ATOM 0 HA GLU A 22 11.467 -4.900 5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.110 -3.022 5.013 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.263 -2.975 6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.117 -2.608 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.930 -2.590 3.375 1.00 0.00 H new ATOM 326 N ALA A 23 8.247 -5.605 5.538 1.00 0.00 N ATOM 327 CA ALA A 23 7.254 -6.385 6.257 1.00 0.00 C ATOM 328 C ALA A 23 7.794 -7.796 6.495 1.00 0.00 C ATOM 329 O ALA A 23 7.461 -8.432 7.494 1.00 0.00 O ATOM 330 CB ALA A 23 5.940 -6.387 5.472 1.00 0.00 C ATOM 0 H ALA A 23 7.887 -5.095 4.731 1.00 0.00 H new ATOM 0 HA ALA A 23 7.050 -5.942 7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.195 -6.972 6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.584 -5.363 5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.104 -6.827 4.488 1.00 0.00 H new ATOM 336 N LEU A 24 8.618 -8.245 5.560 1.00 0.00 N ATOM 337 CA LEU A 24 9.207 -9.570 5.655 1.00 0.00 C ATOM 338 C LEU A 24 10.602 -9.460 6.273 1.00 0.00 C ATOM 339 O LEU A 24 11.093 -10.410 6.882 1.00 0.00 O ATOM 340 CB LEU A 24 9.192 -10.262 4.290 1.00 0.00 C ATOM 341 CG LEU A 24 7.831 -10.348 3.597 1.00 0.00 C ATOM 342 CD1 LEU A 24 7.981 -10.836 2.154 1.00 0.00 C ATOM 343 CD2 LEU A 24 6.862 -11.219 4.398 1.00 0.00 C ATOM 0 H LEU A 24 8.892 -7.715 4.733 1.00 0.00 H new ATOM 0 HA LEU A 24 8.615 -10.204 6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.881 -9.735 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.579 -11.273 4.413 1.00 0.00 H new ATOM 0 HG LEU A 24 7.404 -9.346 3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.999 -10.888 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.613 -10.142 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.438 -11.825 2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.902 -11.263 3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.270 -12.225 4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.722 -10.790 5.390 1.00 0.00 H new ATOM 355 N GLY A 25 11.203 -8.292 6.096 1.00 0.00 N ATOM 356 CA GLY A 25 12.532 -8.045 6.629 1.00 0.00 C ATOM 357 C GLY A 25 13.585 -8.097 5.521 1.00 0.00 C ATOM 358 O GLY A 25 14.692 -7.587 5.687 1.00 0.00 O ATOM 0 H GLY A 25 10.794 -7.506 5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.558 -7.069 7.114 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.765 -8.787 7.393 1.00 0.00 H new ATOM 362 N ILE A 26 13.204 -8.719 4.415 1.00 0.00 N ATOM 363 CA ILE A 26 14.102 -8.844 3.279 1.00 0.00 C ATOM 364 C ILE A 26 14.749 -7.488 2.994 1.00 0.00 C ATOM 365 O ILE A 26 14.292 -6.461 3.493 1.00 0.00 O ATOM 366 CB ILE A 26 13.366 -9.440 2.077 1.00 0.00 C ATOM 367 CG1 ILE A 26 13.316 -10.967 2.167 1.00 0.00 C ATOM 368 CG2 ILE A 26 13.987 -8.963 0.763 1.00 0.00 C ATOM 369 CD1 ILE A 26 12.127 -11.523 1.381 1.00 0.00 C ATOM 0 H ILE A 26 12.286 -9.142 4.281 1.00 0.00 H new ATOM 0 HA ILE A 26 14.909 -9.541 3.506 1.00 0.00 H new ATOM 0 HB ILE A 26 12.336 -9.083 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 26 14.243 -11.388 1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 26 13.241 -11.271 3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.446 -9.401 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.927 -7.876 0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 26 15.032 -9.271 0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 26 12.114 -12.610 1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 26 11.200 -11.118 1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 26 12.218 -11.237 0.333 1.00 0.00 H new ATOM 381 N LYS A 27 15.803 -7.527 2.192 1.00 0.00 N ATOM 382 CA LYS A 27 16.518 -6.314 1.834 1.00 0.00 C ATOM 383 C LYS A 27 16.227 -5.968 0.372 1.00 0.00 C ATOM 384 O LYS A 27 16.165 -4.795 0.009 1.00 0.00 O ATOM 385 CB LYS A 27 18.008 -6.457 2.148 1.00 0.00 C ATOM 386 CG LYS A 27 18.366 -5.738 3.450 1.00 0.00 C ATOM 387 CD LYS A 27 18.869 -4.320 3.173 1.00 0.00 C ATOM 388 CE LYS A 27 19.252 -3.611 4.473 1.00 0.00 C ATOM 389 NZ LYS A 27 20.556 -4.104 4.969 1.00 0.00 N ATOM 0 H LYS A 27 16.179 -8.381 1.780 1.00 0.00 H new ATOM 0 HA LYS A 27 16.169 -5.475 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.266 -7.513 2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 27 18.597 -6.046 1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.491 -5.697 4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 27 19.132 -6.302 3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.732 -4.360 2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.096 -3.750 2.658 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.303 -2.535 4.306 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.483 -3.780 5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.832 -3.565 5.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 20.476 -5.112 5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 21.277 -3.982 4.230 1.00 0.00 H new ATOM 403 N TYR A 28 16.057 -7.012 -0.426 1.00 0.00 N ATOM 404 CA TYR A 28 15.775 -6.833 -1.840 1.00 0.00 C ATOM 405 C TYR A 28 14.278 -6.622 -2.078 1.00 0.00 C ATOM 406 O TYR A 28 13.461 -6.902 -1.202 1.00 0.00 O ATOM 407 CB TYR A 28 16.210 -8.131 -2.524 1.00 0.00 C ATOM 408 CG TYR A 28 15.743 -9.399 -1.806 1.00 0.00 C ATOM 409 CD1 TYR A 28 14.479 -9.900 -2.042 1.00 0.00 C ATOM 410 CD2 TYR A 28 16.586 -10.042 -0.923 1.00 0.00 C ATOM 411 CE1 TYR A 28 14.040 -11.094 -1.367 1.00 0.00 C ATOM 412 CE2 TYR A 28 16.147 -11.235 -0.247 1.00 0.00 C ATOM 413 CZ TYR A 28 14.896 -11.703 -0.503 1.00 0.00 C ATOM 414 OH TYR A 28 14.481 -12.830 0.136 1.00 0.00 O ATOM 0 H TYR A 28 16.109 -7.984 -0.121 1.00 0.00 H new ATOM 0 HA TYR A 28 16.299 -5.960 -2.228 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.824 -8.140 -3.543 1.00 0.00 H new ATOM 0 HB3 TYR A 28 17.298 -8.146 -2.595 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.819 -9.397 -2.733 1.00 0.00 H new ATOM 0 HD2 TYR A 28 17.575 -9.650 -0.739 1.00 0.00 H new ATOM 0 HE1 TYR A 28 13.053 -11.497 -1.543 1.00 0.00 H new ATOM 0 HE2 TYR A 28 16.797 -11.747 0.448 1.00 0.00 H new ATOM 0 HH TYR A 28 15.196 -13.157 0.721 1.00 0.00 H new ATOM 424 N PRO A 29 13.956 -6.117 -3.299 1.00 0.00 N ATOM 425 CA PRO A 29 12.572 -5.865 -3.663 1.00 0.00 C ATOM 426 C PRO A 29 11.840 -7.172 -3.973 1.00 0.00 C ATOM 427 O PRO A 29 12.242 -7.918 -4.865 1.00 0.00 O ATOM 428 CB PRO A 29 12.644 -4.928 -4.858 1.00 0.00 C ATOM 429 CG PRO A 29 14.056 -5.059 -5.406 1.00 0.00 C ATOM 430 CD PRO A 29 14.897 -5.774 -4.361 1.00 0.00 C ATOM 0 HA PRO A 29 12.000 -5.413 -2.853 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.906 -5.200 -5.612 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.434 -3.900 -4.562 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.052 -5.619 -6.341 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.473 -4.076 -5.625 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.369 -6.665 -4.775 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.697 -5.133 -3.990 1.00 0.00 H new ATOM 438 N VAL A 30 10.777 -7.411 -3.218 1.00 0.00 N ATOM 439 CA VAL A 30 9.985 -8.615 -3.400 1.00 0.00 C ATOM 440 C VAL A 30 8.607 -8.236 -3.947 1.00 0.00 C ATOM 441 O VAL A 30 8.174 -7.093 -3.810 1.00 0.00 O ATOM 442 CB VAL A 30 9.912 -9.397 -2.088 1.00 0.00 C ATOM 443 CG1 VAL A 30 9.359 -10.805 -2.318 1.00 0.00 C ATOM 444 CG2 VAL A 30 11.280 -9.451 -1.405 1.00 0.00 C ATOM 0 H VAL A 30 10.446 -6.791 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 30 10.455 -9.274 -4.130 1.00 0.00 H new ATOM 0 HB VAL A 30 9.226 -8.872 -1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.318 -11.339 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.356 -10.738 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.008 -11.343 -3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.200 -10.013 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.997 -9.941 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.619 -8.438 -1.189 1.00 0.00 H new ATOM 454 N GLN A 31 7.957 -9.217 -4.556 1.00 0.00 N ATOM 455 CA GLN A 31 6.637 -9.001 -5.124 1.00 0.00 C ATOM 456 C GLN A 31 5.563 -9.159 -4.047 1.00 0.00 C ATOM 457 O GLN A 31 5.789 -9.816 -3.032 1.00 0.00 O ATOM 458 CB GLN A 31 6.383 -9.951 -6.296 1.00 0.00 C ATOM 459 CG GLN A 31 5.972 -11.338 -5.798 1.00 0.00 C ATOM 460 CD GLN A 31 6.790 -12.432 -6.488 1.00 0.00 C ATOM 461 OE1 GLN A 31 7.312 -12.260 -7.577 1.00 0.00 O ATOM 462 NE2 GLN A 31 6.872 -13.564 -5.795 1.00 0.00 N ATOM 0 H GLN A 31 8.320 -10.164 -4.668 1.00 0.00 H new ATOM 0 HA GLN A 31 6.590 -7.982 -5.508 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.600 -9.544 -6.936 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.283 -10.031 -6.905 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.114 -11.398 -4.719 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.911 -11.497 -5.989 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.411 -13.642 -4.888 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.396 -14.355 -6.170 1.00 0.00 H new ATOM 471 N VAL A 32 4.417 -8.545 -4.304 1.00 0.00 N ATOM 472 CA VAL A 32 3.307 -8.609 -3.368 1.00 0.00 C ATOM 473 C VAL A 32 2.199 -9.484 -3.958 1.00 0.00 C ATOM 474 O VAL A 32 1.869 -9.364 -5.137 1.00 0.00 O ATOM 475 CB VAL A 32 2.833 -7.197 -3.021 1.00 0.00 C ATOM 476 CG1 VAL A 32 1.532 -7.237 -2.217 1.00 0.00 C ATOM 477 CG2 VAL A 32 3.918 -6.423 -2.270 1.00 0.00 C ATOM 0 H VAL A 32 4.233 -8.001 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 32 3.622 -9.070 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 32 2.633 -6.672 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.217 -6.220 -1.983 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.757 -7.731 -2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.693 -7.788 -1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.555 -5.422 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.164 -6.946 -1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.809 -6.349 -2.893 1.00 0.00 H new ATOM 487 N PRO A 33 1.640 -10.368 -3.088 1.00 0.00 N ATOM 488 CA PRO A 33 0.576 -11.262 -3.511 1.00 0.00 C ATOM 489 C PRO A 33 -0.749 -10.510 -3.651 1.00 0.00 C ATOM 490 O PRO A 33 -1.628 -10.630 -2.800 1.00 0.00 O ATOM 491 CB PRO A 33 0.532 -12.350 -2.449 1.00 0.00 C ATOM 492 CG PRO A 33 1.250 -11.779 -1.237 1.00 0.00 C ATOM 493 CD PRO A 33 2.006 -10.538 -1.685 1.00 0.00 C ATOM 0 HA PRO A 33 0.754 -11.692 -4.497 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.496 -12.616 -2.204 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.021 -13.259 -2.800 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.535 -11.528 -0.453 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.937 -12.514 -0.819 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.723 -9.667 -1.094 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.082 -10.666 -1.569 1.00 0.00 H new ATOM 501 N TYR A 34 -0.850 -9.752 -4.733 1.00 0.00 N ATOM 502 CA TYR A 34 -2.053 -8.981 -4.996 1.00 0.00 C ATOM 503 C TYR A 34 -3.285 -9.886 -5.047 1.00 0.00 C ATOM 504 O TYR A 34 -4.211 -9.725 -4.254 1.00 0.00 O ATOM 505 CB TYR A 34 -1.850 -8.339 -6.370 1.00 0.00 C ATOM 506 CG TYR A 34 -1.021 -7.053 -6.340 1.00 0.00 C ATOM 507 CD1 TYR A 34 -0.226 -6.770 -5.248 1.00 0.00 C ATOM 508 CD2 TYR A 34 -1.069 -6.176 -7.405 1.00 0.00 C ATOM 509 CE1 TYR A 34 0.554 -5.560 -5.220 1.00 0.00 C ATOM 510 CE2 TYR A 34 -0.288 -4.966 -7.377 1.00 0.00 C ATOM 511 CZ TYR A 34 0.484 -4.718 -6.286 1.00 0.00 C ATOM 512 OH TYR A 34 1.221 -3.575 -6.259 1.00 0.00 O ATOM 0 H TYR A 34 -0.119 -9.655 -5.437 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.216 -8.244 -4.209 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.362 -9.059 -7.027 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.825 -8.120 -6.805 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.189 -7.456 -4.415 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.692 -6.397 -8.259 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.180 -5.326 -4.372 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.315 -4.272 -8.204 1.00 0.00 H new ATOM 0 HH TYR A 34 1.074 -3.071 -7.087 1.00 0.00 H new ATOM 522 N LYS A 35 -3.256 -10.819 -5.987 1.00 0.00 N ATOM 523 CA LYS A 35 -4.359 -11.751 -6.152 1.00 0.00 C ATOM 524 C LYS A 35 -4.828 -12.227 -4.775 1.00 0.00 C ATOM 525 O LYS A 35 -5.953 -11.945 -4.366 1.00 0.00 O ATOM 526 CB LYS A 35 -3.963 -12.889 -7.094 1.00 0.00 C ATOM 527 CG LYS A 35 -4.717 -12.788 -8.422 1.00 0.00 C ATOM 528 CD LYS A 35 -5.924 -13.727 -8.440 1.00 0.00 C ATOM 529 CE LYS A 35 -7.172 -13.006 -8.954 1.00 0.00 C ATOM 530 NZ LYS A 35 -8.072 -12.662 -7.830 1.00 0.00 N ATOM 0 H LYS A 35 -2.486 -10.950 -6.643 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.208 -11.257 -6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.889 -12.857 -7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.177 -13.848 -6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.048 -11.761 -8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.046 -13.036 -9.245 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.710 -14.588 -9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.108 -14.108 -7.436 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.882 -12.100 -9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.698 -13.640 -9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.914 -12.173 -8.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.363 -13.532 -7.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.573 -12.039 -7.164 1.00 0.00 H new ATOM 544 N ARG A 36 -3.941 -12.942 -4.098 1.00 0.00 N ATOM 545 CA ARG A 36 -4.250 -13.461 -2.777 1.00 0.00 C ATOM 546 C ARG A 36 -4.758 -12.337 -1.871 1.00 0.00 C ATOM 547 O ARG A 36 -5.637 -12.555 -1.039 1.00 0.00 O ATOM 548 CB ARG A 36 -3.019 -14.106 -2.137 1.00 0.00 C ATOM 549 CG ARG A 36 -2.326 -15.057 -3.115 1.00 0.00 C ATOM 550 CD ARG A 36 -1.849 -16.324 -2.403 1.00 0.00 C ATOM 551 NE ARG A 36 -0.439 -16.168 -1.983 1.00 0.00 N ATOM 552 CZ ARG A 36 0.321 -17.167 -1.514 1.00 0.00 C ATOM 553 NH1 ARG A 36 -0.190 -18.401 -1.401 1.00 0.00 N ATOM 554 NH2 ARG A 36 1.591 -16.933 -1.156 1.00 0.00 N ATOM 0 H ARG A 36 -3.008 -13.174 -4.440 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.025 -14.219 -2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.321 -13.331 -1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.315 -14.652 -1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.014 -15.324 -3.917 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.477 -14.554 -3.577 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.476 -16.521 -1.534 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.946 -17.183 -3.067 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.019 -15.241 -2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.157 -18.579 -1.672 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.388 -19.162 -1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.980 -15.994 -1.240 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.169 -17.694 -0.799 1.00 0.00 H new ATOM 568 N ILE A 37 -4.182 -11.160 -2.063 1.00 0.00 N ATOM 569 CA ILE A 37 -4.565 -10.001 -1.274 1.00 0.00 C ATOM 570 C ILE A 37 -5.962 -9.542 -1.696 1.00 0.00 C ATOM 571 O ILE A 37 -6.657 -8.875 -0.931 1.00 0.00 O ATOM 572 CB ILE A 37 -3.501 -8.907 -1.377 1.00 0.00 C ATOM 573 CG1 ILE A 37 -2.342 -9.176 -0.415 1.00 0.00 C ATOM 574 CG2 ILE A 37 -4.115 -7.522 -1.161 1.00 0.00 C ATOM 575 CD1 ILE A 37 -1.149 -8.270 -0.725 1.00 0.00 C ATOM 0 H ILE A 37 -3.453 -10.983 -2.754 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.620 -10.261 -0.217 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.092 -8.924 -2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.671 -9.011 0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.039 -10.220 -0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.337 -6.763 -1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.877 -7.340 -1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.569 -7.476 -0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.340 -8.482 -0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.807 -8.454 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.449 -7.227 -0.626 1.00 0.00 H new ATOM 587 N LYS A 38 -6.332 -9.917 -2.912 1.00 0.00 N ATOM 588 CA LYS A 38 -7.634 -9.552 -3.444 1.00 0.00 C ATOM 589 C LYS A 38 -8.688 -10.525 -2.913 1.00 0.00 C ATOM 590 O LYS A 38 -9.755 -10.106 -2.467 1.00 0.00 O ATOM 591 CB LYS A 38 -7.585 -9.472 -4.971 1.00 0.00 C ATOM 592 CG LYS A 38 -8.689 -8.560 -5.508 1.00 0.00 C ATOM 593 CD LYS A 38 -9.750 -9.366 -6.259 1.00 0.00 C ATOM 594 CE LYS A 38 -10.919 -9.725 -5.339 1.00 0.00 C ATOM 595 NZ LYS A 38 -12.006 -10.370 -6.110 1.00 0.00 N ATOM 0 H LYS A 38 -5.753 -10.470 -3.544 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.919 -8.556 -3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.612 -9.097 -5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.695 -10.470 -5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.154 -8.021 -4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.257 -7.813 -6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.115 -8.790 -7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.304 -10.277 -6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.577 -10.396 -4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.295 -8.826 -4.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.791 -10.607 -5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.344 -9.718 -6.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.648 -11.239 -6.555 1.00 0.00 H new ATOM 609 N SER A 39 -8.353 -11.805 -2.978 1.00 0.00 N ATOM 610 CA SER A 39 -9.258 -12.840 -2.509 1.00 0.00 C ATOM 611 C SER A 39 -9.285 -12.858 -0.979 1.00 0.00 C ATOM 612 O SER A 39 -10.354 -12.936 -0.375 1.00 0.00 O ATOM 613 CB SER A 39 -8.850 -14.213 -3.047 1.00 0.00 C ATOM 614 OG SER A 39 -9.794 -14.719 -3.988 1.00 0.00 O ATOM 0 H SER A 39 -7.467 -12.149 -3.348 1.00 0.00 H new ATOM 0 HA SER A 39 -10.257 -12.615 -2.882 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.870 -14.141 -3.519 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.753 -14.914 -2.218 1.00 0.00 H new ATOM 0 HG SER A 39 -9.497 -15.596 -4.310 1.00 0.00 H new ATOM 620 N ASN A 40 -8.098 -12.783 -0.396 1.00 0.00 N ATOM 621 CA ASN A 40 -7.972 -12.789 1.051 1.00 0.00 C ATOM 622 C ASN A 40 -7.290 -11.496 1.505 1.00 0.00 C ATOM 623 O ASN A 40 -6.117 -11.274 1.213 1.00 0.00 O ATOM 624 CB ASN A 40 -7.118 -13.966 1.525 1.00 0.00 C ATOM 625 CG ASN A 40 -7.937 -14.924 2.392 1.00 0.00 C ATOM 626 OD1 ASN A 40 -8.987 -14.587 2.914 1.00 0.00 O ATOM 627 ND2 ASN A 40 -7.399 -16.134 2.517 1.00 0.00 N ATOM 0 H ASN A 40 -7.214 -12.718 -0.900 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.972 -12.875 1.476 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.719 -14.501 0.663 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.265 -13.595 2.093 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.869 -16.846 3.077 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.517 -16.350 2.053 1.00 0.00 H new ATOM 634 N PRO A 41 -8.076 -10.656 2.231 1.00 0.00 N ATOM 635 CA PRO A 41 -7.560 -9.392 2.728 1.00 0.00 C ATOM 636 C PRO A 41 -6.631 -9.611 3.923 1.00 0.00 C ATOM 637 O PRO A 41 -5.796 -8.761 4.229 1.00 0.00 O ATOM 638 CB PRO A 41 -8.793 -8.575 3.077 1.00 0.00 C ATOM 639 CG PRO A 41 -9.934 -9.572 3.201 1.00 0.00 C ATOM 640 CD PRO A 41 -9.471 -10.887 2.596 1.00 0.00 C ATOM 0 HA PRO A 41 -6.946 -8.870 1.994 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.649 -8.029 4.009 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.003 -7.836 2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.209 -9.709 4.247 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -10.820 -9.205 2.683 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.563 -11.706 3.310 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.069 -11.155 1.725 1.00 0.00 H new ATOM 648 N GLY A 42 -6.806 -10.756 4.567 1.00 0.00 N ATOM 649 CA GLY A 42 -5.994 -11.097 5.722 1.00 0.00 C ATOM 650 C GLY A 42 -4.537 -11.334 5.317 1.00 0.00 C ATOM 651 O GLY A 42 -3.630 -11.184 6.133 1.00 0.00 O ATOM 0 H GLY A 42 -7.499 -11.459 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.045 -10.294 6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.393 -11.992 6.200 1.00 0.00 H new ATOM 655 N SER A 43 -4.360 -11.702 4.056 1.00 0.00 N ATOM 656 CA SER A 43 -3.030 -11.961 3.533 1.00 0.00 C ATOM 657 C SER A 43 -2.046 -10.913 4.059 1.00 0.00 C ATOM 658 O SER A 43 -1.164 -11.230 4.855 1.00 0.00 O ATOM 659 CB SER A 43 -3.031 -11.967 2.003 1.00 0.00 C ATOM 660 OG SER A 43 -1.963 -12.745 1.470 1.00 0.00 O ATOM 0 H SER A 43 -5.115 -11.827 3.382 1.00 0.00 H new ATOM 0 HA SER A 43 -2.716 -12.948 3.873 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.981 -12.361 1.643 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.951 -10.943 1.637 1.00 0.00 H new ATOM 0 HG SER A 43 -2.000 -12.724 0.491 1.00 0.00 H new ATOM 666 N VAL A 44 -2.232 -9.687 3.592 1.00 0.00 N ATOM 667 CA VAL A 44 -1.373 -8.591 4.006 1.00 0.00 C ATOM 668 C VAL A 44 -2.237 -7.385 4.380 1.00 0.00 C ATOM 669 O VAL A 44 -3.007 -6.890 3.558 1.00 0.00 O ATOM 670 CB VAL A 44 -0.356 -8.280 2.906 1.00 0.00 C ATOM 671 CG1 VAL A 44 0.215 -6.870 3.070 1.00 0.00 C ATOM 672 CG2 VAL A 44 0.762 -9.325 2.882 1.00 0.00 C ATOM 0 H VAL A 44 -2.965 -9.429 2.931 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.800 -8.867 4.891 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.875 -8.322 1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.935 -6.674 2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.594 -6.141 3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.711 -6.788 4.037 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.471 -9.081 2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.277 -9.329 3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.335 -10.310 2.695 1.00 0.00 H new ATOM 682 N ILE A 45 -2.079 -6.946 5.620 1.00 0.00 N ATOM 683 CA ILE A 45 -2.835 -5.807 6.112 1.00 0.00 C ATOM 684 C ILE A 45 -2.044 -4.523 5.850 1.00 0.00 C ATOM 685 O ILE A 45 -0.852 -4.453 6.148 1.00 0.00 O ATOM 686 CB ILE A 45 -3.211 -6.008 7.582 1.00 0.00 C ATOM 687 CG1 ILE A 45 -3.437 -7.489 7.892 1.00 0.00 C ATOM 688 CG2 ILE A 45 -4.421 -5.152 7.960 1.00 0.00 C ATOM 689 CD1 ILE A 45 -3.943 -7.678 9.323 1.00 0.00 C ATOM 0 H ILE A 45 -1.439 -7.358 6.299 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.779 -5.716 5.575 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.376 -5.674 8.197 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.159 -7.905 7.189 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.506 -8.039 7.756 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.667 -5.314 9.009 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.186 -4.100 7.800 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.273 -5.432 7.340 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.096 -8.740 9.518 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.208 -7.282 10.024 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.887 -7.147 9.448 1.00 0.00 H new ATOM 701 N ILE A 46 -2.738 -3.541 5.296 1.00 0.00 N ATOM 702 CA ILE A 46 -2.116 -2.264 4.990 1.00 0.00 C ATOM 703 C ILE A 46 -2.774 -1.167 5.828 1.00 0.00 C ATOM 704 O ILE A 46 -3.994 -1.010 5.804 1.00 0.00 O ATOM 705 CB ILE A 46 -2.155 -1.995 3.484 1.00 0.00 C ATOM 706 CG1 ILE A 46 -1.084 -2.808 2.754 1.00 0.00 C ATOM 707 CG2 ILE A 46 -2.039 -0.498 3.191 1.00 0.00 C ATOM 708 CD1 ILE A 46 -1.167 -2.589 1.242 1.00 0.00 C ATOM 0 H ILE A 46 -3.726 -3.603 5.051 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.060 -2.281 5.259 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.122 -2.323 3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.096 -2.520 3.113 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.209 -3.867 2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.069 -0.335 2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.868 0.030 3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.097 -0.121 3.589 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.395 -3.178 0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.148 -2.900 0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.017 -1.533 1.019 1.00 0.00 H new ATOM 720 N GLU A 47 -1.938 -0.435 6.550 1.00 0.00 N ATOM 721 CA GLU A 47 -2.424 0.643 7.394 1.00 0.00 C ATOM 722 C GLU A 47 -1.499 1.857 7.289 1.00 0.00 C ATOM 723 O GLU A 47 -0.371 1.743 6.813 1.00 0.00 O ATOM 724 CB GLU A 47 -2.562 0.183 8.846 1.00 0.00 C ATOM 725 CG GLU A 47 -3.950 -0.407 9.105 1.00 0.00 C ATOM 726 CD GLU A 47 -5.004 0.697 9.212 1.00 0.00 C ATOM 727 OE1 GLU A 47 -5.279 1.323 8.165 1.00 0.00 O ATOM 728 OE2 GLU A 47 -5.511 0.890 10.338 1.00 0.00 O ATOM 0 H GLU A 47 -0.927 -0.568 6.568 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.415 0.934 7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.799 -0.562 9.069 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.390 1.025 9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.215 -1.091 8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.935 -0.991 10.025 1.00 0.00 H new ATOM 735 N GLY A 48 -2.011 2.992 7.743 1.00 0.00 N ATOM 736 CA GLY A 48 -1.245 4.226 7.706 1.00 0.00 C ATOM 737 C GLY A 48 -1.537 5.015 6.428 1.00 0.00 C ATOM 738 O GLY A 48 -1.138 6.172 6.303 1.00 0.00 O ATOM 0 H GLY A 48 -2.947 3.083 8.138 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.488 4.835 8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.180 3.999 7.762 1.00 0.00 H new ATOM 742 N LEU A 49 -2.232 4.358 5.511 1.00 0.00 N ATOM 743 CA LEU A 49 -2.582 4.983 4.247 1.00 0.00 C ATOM 744 C LEU A 49 -3.178 6.367 4.515 1.00 0.00 C ATOM 745 O LEU A 49 -3.551 6.678 5.645 1.00 0.00 O ATOM 746 CB LEU A 49 -3.497 4.068 3.431 1.00 0.00 C ATOM 747 CG LEU A 49 -2.798 3.101 2.474 1.00 0.00 C ATOM 748 CD1 LEU A 49 -3.786 2.078 1.909 1.00 0.00 C ATOM 749 CD2 LEU A 49 -2.064 3.861 1.366 1.00 0.00 C ATOM 0 H LEU A 49 -2.562 3.399 5.618 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.691 5.131 3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.106 3.486 4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.179 4.691 2.852 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.047 2.547 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.263 1.403 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.224 1.505 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.576 2.597 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.576 3.150 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.779 4.458 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.315 4.517 1.809 1.00 0.00 H new ATOM 761 N PRO A 50 -3.249 7.182 3.429 1.00 0.00 N ATOM 762 CA PRO A 50 -3.793 8.525 3.536 1.00 0.00 C ATOM 763 C PRO A 50 -5.318 8.492 3.655 1.00 0.00 C ATOM 764 O PRO A 50 -5.937 7.447 3.459 1.00 0.00 O ATOM 765 CB PRO A 50 -3.310 9.246 2.288 1.00 0.00 C ATOM 766 CG PRO A 50 -2.908 8.156 1.307 1.00 0.00 C ATOM 767 CD PRO A 50 -2.817 6.848 2.075 1.00 0.00 C ATOM 0 HA PRO A 50 -3.458 9.044 4.434 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.096 9.876 1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.466 9.898 2.515 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.640 8.077 0.503 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.951 8.394 0.843 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.456 6.084 1.633 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.800 6.455 2.069 1.00 0.00 H new ATOM 775 N PRO A 51 -5.895 9.679 3.984 1.00 0.00 N ATOM 776 CA PRO A 51 -7.336 9.795 4.131 1.00 0.00 C ATOM 777 C PRO A 51 -8.028 9.797 2.767 1.00 0.00 C ATOM 778 O PRO A 51 -7.732 10.635 1.917 1.00 0.00 O ATOM 779 CB PRO A 51 -7.549 11.084 4.907 1.00 0.00 C ATOM 780 CG PRO A 51 -6.260 11.876 4.762 1.00 0.00 C ATOM 781 CD PRO A 51 -5.194 10.937 4.223 1.00 0.00 C ATOM 0 HA PRO A 51 -7.774 8.949 4.661 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.397 11.643 4.511 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.765 10.878 5.955 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.404 12.719 4.086 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.955 12.288 5.724 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.752 11.325 3.305 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.382 10.808 4.938 1.00 0.00 H new ATOM 789 N GLY A 52 -8.938 8.848 2.599 1.00 0.00 N ATOM 790 CA GLY A 52 -9.675 8.730 1.352 1.00 0.00 C ATOM 791 C GLY A 52 -9.094 7.618 0.476 1.00 0.00 C ATOM 792 O GLY A 52 -9.659 7.284 -0.565 1.00 0.00 O ATOM 0 H GLY A 52 -9.181 8.154 3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.724 8.521 1.563 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.641 9.677 0.814 1.00 0.00 H new ATOM 796 N ILE A 53 -7.974 7.075 0.929 1.00 0.00 N ATOM 797 CA ILE A 53 -7.311 6.008 0.199 1.00 0.00 C ATOM 798 C ILE A 53 -7.233 4.762 1.084 1.00 0.00 C ATOM 799 O ILE A 53 -6.369 4.669 1.955 1.00 0.00 O ATOM 800 CB ILE A 53 -5.952 6.479 -0.321 1.00 0.00 C ATOM 801 CG1 ILE A 53 -6.070 7.839 -1.011 1.00 0.00 C ATOM 802 CG2 ILE A 53 -5.319 5.426 -1.234 1.00 0.00 C ATOM 803 CD1 ILE A 53 -4.708 8.316 -1.521 1.00 0.00 C ATOM 0 H ILE A 53 -7.509 7.354 1.793 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.888 5.736 -0.685 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.286 6.608 0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.770 7.769 -1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.477 8.571 -0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.354 5.786 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.178 4.499 -0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.974 5.242 -2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.821 9.285 -2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.018 8.409 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.314 7.594 -2.237 1.00 0.00 H new ATOM 815 N PRO A 54 -8.171 3.812 0.824 1.00 0.00 N ATOM 816 CA PRO A 54 -8.216 2.577 1.588 1.00 0.00 C ATOM 817 C PRO A 54 -7.090 1.630 1.166 1.00 0.00 C ATOM 818 O PRO A 54 -6.337 1.929 0.241 1.00 0.00 O ATOM 819 CB PRO A 54 -9.600 2.005 1.330 1.00 0.00 C ATOM 820 CG PRO A 54 -10.108 2.694 0.073 1.00 0.00 C ATOM 821 CD PRO A 54 -9.209 3.889 -0.199 1.00 0.00 C ATOM 0 HA PRO A 54 -8.058 2.736 2.655 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.557 0.925 1.193 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.264 2.193 2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.094 2.006 -0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.141 3.016 0.205 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.782 3.843 -1.201 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.763 4.825 -0.131 1.00 0.00 H new ATOM 829 N PHE A 55 -7.012 0.507 1.864 1.00 0.00 N ATOM 830 CA PHE A 55 -5.991 -0.485 1.573 1.00 0.00 C ATOM 831 C PHE A 55 -6.370 -1.320 0.349 1.00 0.00 C ATOM 832 O PHE A 55 -7.055 -2.335 0.473 1.00 0.00 O ATOM 833 CB PHE A 55 -5.899 -1.404 2.794 1.00 0.00 C ATOM 834 CG PHE A 55 -5.466 -2.834 2.465 1.00 0.00 C ATOM 835 CD1 PHE A 55 -4.591 -3.063 1.449 1.00 0.00 C ATOM 836 CD2 PHE A 55 -5.956 -3.876 3.188 1.00 0.00 C ATOM 837 CE1 PHE A 55 -4.189 -4.390 1.144 1.00 0.00 C ATOM 838 CE2 PHE A 55 -5.554 -5.203 2.883 1.00 0.00 C ATOM 839 CZ PHE A 55 -4.679 -5.432 1.867 1.00 0.00 C ATOM 0 H PHE A 55 -7.639 0.262 2.630 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.042 0.009 1.363 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.193 -0.976 3.506 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.870 -1.434 3.288 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.202 -2.235 0.874 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.651 -3.694 3.994 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.494 -4.572 0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.943 -6.031 3.458 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.374 -6.441 1.635 1.00 0.00 H new ATOM 849 N ARG A 56 -5.909 -0.862 -0.806 1.00 0.00 N ATOM 850 CA ARG A 56 -6.192 -1.554 -2.052 1.00 0.00 C ATOM 851 C ARG A 56 -5.075 -1.300 -3.066 1.00 0.00 C ATOM 852 O ARG A 56 -4.132 -0.562 -2.784 1.00 0.00 O ATOM 853 CB ARG A 56 -7.525 -1.095 -2.647 1.00 0.00 C ATOM 854 CG ARG A 56 -8.692 -1.472 -1.732 1.00 0.00 C ATOM 855 CD ARG A 56 -8.890 -2.989 -1.693 1.00 0.00 C ATOM 856 NE ARG A 56 -10.046 -3.327 -0.833 1.00 0.00 N ATOM 857 CZ ARG A 56 -10.632 -4.532 -0.801 1.00 0.00 C ATOM 858 NH1 ARG A 56 -10.173 -5.521 -1.579 1.00 0.00 N ATOM 859 NH2 ARG A 56 -11.676 -4.748 0.010 1.00 0.00 N ATOM 0 H ARG A 56 -5.342 -0.020 -0.905 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.253 -2.620 -1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.509 -0.015 -2.795 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.665 -1.550 -3.628 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.504 -1.100 -0.725 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.605 -0.991 -2.084 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.053 -3.369 -2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.990 -3.472 -1.313 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.420 -2.597 -0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.377 -5.357 -2.196 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.619 -6.438 -1.555 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.025 -3.995 0.603 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.122 -5.665 0.034 1.00 0.00 H new ATOM 873 N LYS A 57 -5.218 -1.925 -4.225 1.00 0.00 N ATOM 874 CA LYS A 57 -4.232 -1.775 -5.282 1.00 0.00 C ATOM 875 C LYS A 57 -4.206 -0.318 -5.747 1.00 0.00 C ATOM 876 O LYS A 57 -5.217 0.379 -5.672 1.00 0.00 O ATOM 877 CB LYS A 57 -4.499 -2.775 -6.409 1.00 0.00 C ATOM 878 CG LYS A 57 -4.574 -4.204 -5.867 1.00 0.00 C ATOM 879 CD LYS A 57 -3.182 -4.732 -5.517 1.00 0.00 C ATOM 880 CE LYS A 57 -2.931 -4.661 -4.009 1.00 0.00 C ATOM 881 NZ LYS A 57 -1.659 -3.959 -3.727 1.00 0.00 N ATOM 0 H LYS A 57 -6.001 -2.536 -4.456 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.235 -2.009 -4.908 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.433 -2.523 -6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.708 -2.706 -7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.209 -4.228 -4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.037 -4.854 -6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.084 -5.763 -5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.426 -4.150 -6.043 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.756 -4.141 -3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.898 -5.668 -3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.332 -4.204 -2.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.942 -4.247 -4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.808 -2.932 -3.789 1.00 0.00 H new ATOM 895 N PRO A 58 -3.009 0.110 -6.229 1.00 0.00 N ATOM 896 CA PRO A 58 -2.838 1.472 -6.706 1.00 0.00 C ATOM 897 C PRO A 58 -3.496 1.660 -8.075 1.00 0.00 C ATOM 898 O PRO A 58 -3.790 2.785 -8.477 1.00 0.00 O ATOM 899 CB PRO A 58 -1.335 1.694 -6.734 1.00 0.00 C ATOM 900 CG PRO A 58 -0.709 0.308 -6.719 1.00 0.00 C ATOM 901 CD PRO A 58 -1.791 -0.687 -6.333 1.00 0.00 C ATOM 0 HA PRO A 58 -3.323 2.207 -6.063 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.038 2.247 -7.625 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.010 2.279 -5.873 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.298 0.064 -7.699 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.116 0.269 -6.008 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.894 -1.471 -7.083 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.558 -1.179 -5.389 1.00 0.00 H new ATOM 909 N CYS A 59 -3.707 0.542 -8.753 1.00 0.00 N ATOM 910 CA CYS A 59 -4.325 0.569 -10.068 1.00 0.00 C ATOM 911 C CYS A 59 -5.720 1.182 -9.931 1.00 0.00 C ATOM 912 O CYS A 59 -6.129 1.993 -10.760 1.00 0.00 O ATOM 913 CB CYS A 59 -4.373 -0.823 -10.700 1.00 0.00 C ATOM 914 SG CYS A 59 -5.094 -0.725 -12.378 1.00 0.00 S ATOM 0 H CYS A 59 -3.461 -0.389 -8.417 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.725 1.181 -10.741 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.368 -1.243 -10.751 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.967 -1.493 -10.079 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.128 -1.913 -12.906 1.00 0.00 H new ATOM 920 N THR A 60 -6.411 0.771 -8.878 1.00 0.00 N ATOM 921 CA THR A 60 -7.752 1.270 -8.622 1.00 0.00 C ATOM 922 C THR A 60 -7.703 2.742 -8.209 1.00 0.00 C ATOM 923 O THR A 60 -8.737 3.405 -8.138 1.00 0.00 O ATOM 924 CB THR A 60 -8.400 0.365 -7.572 1.00 0.00 C ATOM 925 OG1 THR A 60 -7.582 0.533 -6.417 1.00 0.00 O ATOM 926 CG2 THR A 60 -8.263 -1.120 -7.914 1.00 0.00 C ATOM 0 H THR A 60 -6.068 0.098 -8.192 1.00 0.00 H new ATOM 0 HA THR A 60 -8.365 1.238 -9.523 1.00 0.00 H new ATOM 0 HB THR A 60 -9.456 0.619 -7.476 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.765 0.001 -6.515 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.739 -1.718 -7.137 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.745 -1.319 -8.871 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.207 -1.383 -7.978 1.00 0.00 H new ATOM 934 N PHE A 61 -6.492 3.210 -7.948 1.00 0.00 N ATOM 935 CA PHE A 61 -6.295 4.592 -7.544 1.00 0.00 C ATOM 936 C PHE A 61 -5.805 5.442 -8.718 1.00 0.00 C ATOM 937 O PHE A 61 -5.080 4.953 -9.583 1.00 0.00 O ATOM 938 CB PHE A 61 -5.226 4.591 -6.450 1.00 0.00 C ATOM 939 CG PHE A 61 -5.586 3.741 -5.229 1.00 0.00 C ATOM 940 CD1 PHE A 61 -6.889 3.464 -4.954 1.00 0.00 C ATOM 941 CD2 PHE A 61 -4.603 3.262 -4.420 1.00 0.00 C ATOM 942 CE1 PHE A 61 -7.223 2.676 -3.821 1.00 0.00 C ATOM 943 CE2 PHE A 61 -4.937 2.474 -3.287 1.00 0.00 C ATOM 944 CZ PHE A 61 -6.240 2.197 -3.012 1.00 0.00 C ATOM 0 H PHE A 61 -5.637 2.657 -8.008 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.236 5.014 -7.192 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.290 4.225 -6.871 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.051 5.617 -6.127 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.669 3.843 -5.597 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.568 3.481 -4.639 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -8.258 2.457 -3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.157 2.095 -2.644 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.494 1.597 -2.151 1.00 0.00 H new ATOM 954 N GLY A 62 -6.221 6.700 -8.711 1.00 0.00 N ATOM 955 CA GLY A 62 -5.833 7.623 -9.764 1.00 0.00 C ATOM 956 C GLY A 62 -4.523 8.332 -9.417 1.00 0.00 C ATOM 957 O GLY A 62 -4.071 8.285 -8.274 1.00 0.00 O ATOM 0 H GLY A 62 -6.823 7.102 -7.992 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.720 7.082 -10.703 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.621 8.361 -9.914 1.00 0.00 H new ATOM 961 N SER A 63 -3.949 8.972 -10.425 1.00 0.00 N ATOM 962 CA SER A 63 -2.699 9.690 -10.241 1.00 0.00 C ATOM 963 C SER A 63 -2.735 10.476 -8.929 1.00 0.00 C ATOM 964 O SER A 63 -1.767 10.471 -8.171 1.00 0.00 O ATOM 965 CB SER A 63 -2.426 10.631 -11.416 1.00 0.00 C ATOM 966 OG SER A 63 -3.604 11.314 -11.838 1.00 0.00 O ATOM 0 H SER A 63 -4.326 9.008 -11.372 1.00 0.00 H new ATOM 0 HA SER A 63 -1.889 8.961 -10.198 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.668 11.359 -11.128 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.019 10.060 -12.251 1.00 0.00 H new ATOM 0 HG SER A 63 -3.388 11.906 -12.588 1.00 0.00 H new ATOM 972 N GLN A 64 -3.863 11.133 -8.701 1.00 0.00 N ATOM 973 CA GLN A 64 -4.038 11.922 -7.493 1.00 0.00 C ATOM 974 C GLN A 64 -3.893 11.036 -6.254 1.00 0.00 C ATOM 975 O GLN A 64 -3.055 11.299 -5.394 1.00 0.00 O ATOM 976 CB GLN A 64 -5.389 12.640 -7.499 1.00 0.00 C ATOM 977 CG GLN A 64 -5.382 13.815 -8.479 1.00 0.00 C ATOM 978 CD GLN A 64 -6.373 13.582 -9.621 1.00 0.00 C ATOM 979 OE1 GLN A 64 -6.248 12.657 -10.406 1.00 0.00 O ATOM 980 NE2 GLN A 64 -7.361 14.471 -9.670 1.00 0.00 N ATOM 0 H GLN A 64 -4.664 11.135 -9.332 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.259 12.684 -7.463 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.177 11.938 -7.773 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.618 13.000 -6.496 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.638 14.734 -7.952 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.379 13.949 -8.885 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.406 15.222 -8.981 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.073 14.402 -10.397 1.00 0.00 H new ATOM 989 N ASN A 65 -4.723 10.004 -6.204 1.00 0.00 N ATOM 990 CA ASN A 65 -4.697 9.078 -5.085 1.00 0.00 C ATOM 991 C ASN A 65 -3.269 8.569 -4.882 1.00 0.00 C ATOM 992 O ASN A 65 -2.827 8.384 -3.749 1.00 0.00 O ATOM 993 CB ASN A 65 -5.597 7.869 -5.350 1.00 0.00 C ATOM 994 CG ASN A 65 -7.062 8.202 -5.062 1.00 0.00 C ATOM 995 OD1 ASN A 65 -7.457 9.352 -4.965 1.00 0.00 O ATOM 996 ND2 ASN A 65 -7.844 7.134 -4.931 1.00 0.00 N ATOM 0 H ASN A 65 -5.417 9.789 -6.920 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.054 9.607 -4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.490 7.552 -6.387 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.281 7.033 -4.727 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.839 7.251 -4.737 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.449 6.198 -5.024 1.00 0.00 H new ATOM 1003 N LEU A 66 -2.586 8.356 -5.998 1.00 0.00 N ATOM 1004 CA LEU A 66 -1.217 7.872 -5.957 1.00 0.00 C ATOM 1005 C LEU A 66 -0.333 8.914 -5.268 1.00 0.00 C ATOM 1006 O LEU A 66 0.212 8.660 -4.195 1.00 0.00 O ATOM 1007 CB LEU A 66 -0.741 7.492 -7.360 1.00 0.00 C ATOM 1008 CG LEU A 66 -1.542 6.397 -8.067 1.00 0.00 C ATOM 1009 CD1 LEU A 66 -1.148 6.294 -9.541 1.00 0.00 C ATOM 1010 CD2 LEU A 66 -1.400 5.058 -7.340 1.00 0.00 C ATOM 0 H LEU A 66 -2.956 8.510 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.153 6.958 -5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.758 8.387 -7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.298 7.169 -7.294 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.597 6.670 -8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.732 5.508 -10.020 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.343 7.245 -10.037 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.087 6.056 -9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.979 4.297 -7.863 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.350 4.765 -7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.769 5.157 -6.319 1.00 0.00 H new ATOM 1022 N GLU A 67 -0.218 10.066 -5.914 1.00 0.00 N ATOM 1023 CA GLU A 67 0.591 11.147 -5.378 1.00 0.00 C ATOM 1024 C GLU A 67 0.440 11.219 -3.857 1.00 0.00 C ATOM 1025 O GLU A 67 1.378 11.590 -3.153 1.00 0.00 O ATOM 1026 CB GLU A 67 0.223 12.482 -6.029 1.00 0.00 C ATOM 1027 CG GLU A 67 1.296 12.917 -7.029 1.00 0.00 C ATOM 1028 CD GLU A 67 1.567 14.420 -6.923 1.00 0.00 C ATOM 1029 OE1 GLU A 67 0.587 15.184 -7.060 1.00 0.00 O ATOM 1030 OE2 GLU A 67 2.747 14.769 -6.708 1.00 0.00 O ATOM 0 H GLU A 67 -0.672 10.274 -6.804 1.00 0.00 H new ATOM 0 HA GLU A 67 1.636 10.942 -5.611 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.737 12.391 -6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.106 13.246 -5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.217 12.364 -6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.975 12.672 -8.042 1.00 0.00 H new ATOM 1037 N ARG A 68 -0.749 10.858 -3.395 1.00 0.00 N ATOM 1038 CA ARG A 68 -1.035 10.877 -1.970 1.00 0.00 C ATOM 1039 C ARG A 68 -0.325 9.716 -1.271 1.00 0.00 C ATOM 1040 O ARG A 68 0.408 9.923 -0.305 1.00 0.00 O ATOM 1041 CB ARG A 68 -2.539 10.779 -1.709 1.00 0.00 C ATOM 1042 CG ARG A 68 -3.285 11.950 -2.352 1.00 0.00 C ATOM 1043 CD ARG A 68 -4.781 11.648 -2.471 1.00 0.00 C ATOM 1044 NE ARG A 68 -5.545 12.501 -1.535 1.00 0.00 N ATOM 1045 CZ ARG A 68 -6.857 12.368 -1.298 1.00 0.00 C ATOM 1046 NH1 ARG A 68 -7.559 11.415 -1.927 1.00 0.00 N ATOM 1047 NH2 ARG A 68 -7.469 13.188 -0.432 1.00 0.00 N ATOM 0 H ARG A 68 -1.525 10.551 -3.982 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.670 11.823 -1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.920 9.838 -2.106 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.725 10.770 -0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.138 12.851 -1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.871 12.151 -3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.116 11.825 -3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.967 10.596 -2.252 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.042 13.236 -1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.094 10.791 -2.586 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.558 11.314 -1.746 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.936 13.914 0.047 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.468 13.086 -0.252 1.00 0.00 H new ATOM 1061 N ILE A 69 -0.569 8.520 -1.785 1.00 0.00 N ATOM 1062 CA ILE A 69 0.037 7.325 -1.222 1.00 0.00 C ATOM 1063 C ILE A 69 1.541 7.552 -1.055 1.00 0.00 C ATOM 1064 O ILE A 69 2.045 7.597 0.066 1.00 0.00 O ATOM 1065 CB ILE A 69 -0.310 6.099 -2.068 1.00 0.00 C ATOM 1066 CG1 ILE A 69 -1.739 5.627 -1.789 1.00 0.00 C ATOM 1067 CG2 ILE A 69 0.714 4.981 -1.858 1.00 0.00 C ATOM 1068 CD1 ILE A 69 -2.422 5.158 -3.075 1.00 0.00 C ATOM 0 H ILE A 69 -1.178 8.352 -2.586 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.368 7.123 -0.230 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.265 6.385 -3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.722 4.813 -1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.314 6.439 -1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.444 4.121 -2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.704 5.335 -2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.724 4.689 -0.808 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.436 4.828 -2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.459 5.981 -3.788 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.858 4.330 -3.505 1.00 0.00 H new ATOM 1080 N LEU A 70 2.215 7.689 -2.188 1.00 0.00 N ATOM 1081 CA LEU A 70 3.651 7.910 -2.182 1.00 0.00 C ATOM 1082 C LEU A 70 3.996 8.968 -1.131 1.00 0.00 C ATOM 1083 O LEU A 70 5.102 8.976 -0.593 1.00 0.00 O ATOM 1084 CB LEU A 70 4.146 8.257 -3.587 1.00 0.00 C ATOM 1085 CG LEU A 70 3.848 7.224 -4.677 1.00 0.00 C ATOM 1086 CD1 LEU A 70 4.143 7.792 -6.066 1.00 0.00 C ATOM 1087 CD2 LEU A 70 4.606 5.920 -4.418 1.00 0.00 C ATOM 0 H LEU A 70 1.793 7.651 -3.116 1.00 0.00 H new ATOM 0 HA LEU A 70 4.175 6.997 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.701 9.207 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.224 8.409 -3.544 1.00 0.00 H new ATOM 0 HG LEU A 70 2.784 6.990 -4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.923 7.038 -6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.522 8.671 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.194 8.072 -6.129 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.377 5.203 -5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.678 6.118 -4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.304 5.509 -3.455 1.00 0.00 H new ATOM 1099 N ALA A 71 3.028 9.834 -0.870 1.00 0.00 N ATOM 1100 CA ALA A 71 3.215 10.893 0.107 1.00 0.00 C ATOM 1101 C ALA A 71 3.350 10.277 1.501 1.00 0.00 C ATOM 1102 O ALA A 71 4.328 10.529 2.203 1.00 0.00 O ATOM 1103 CB ALA A 71 2.051 11.882 0.017 1.00 0.00 C ATOM 0 H ALA A 71 2.112 9.824 -1.318 1.00 0.00 H new ATOM 0 HA ALA A 71 4.131 11.447 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.191 12.677 0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.016 12.313 -0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.115 11.362 0.220 1.00 0.00 H new ATOM 1109 N VAL A 72 2.353 9.482 1.861 1.00 0.00 N ATOM 1110 CA VAL A 72 2.348 8.828 3.158 1.00 0.00 C ATOM 1111 C VAL A 72 2.956 7.430 3.023 1.00 0.00 C ATOM 1112 O VAL A 72 2.755 6.576 3.884 1.00 0.00 O ATOM 1113 CB VAL A 72 0.929 8.810 3.730 1.00 0.00 C ATOM 1114 CG1 VAL A 72 0.446 10.227 4.042 1.00 0.00 C ATOM 1115 CG2 VAL A 72 -0.036 8.098 2.779 1.00 0.00 C ATOM 0 H VAL A 72 1.543 9.276 1.277 1.00 0.00 H new ATOM 0 HA VAL A 72 2.963 9.382 3.867 1.00 0.00 H new ATOM 0 HB VAL A 72 0.951 8.251 4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.565 10.186 4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.112 10.686 4.773 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.447 10.821 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.038 8.099 3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.052 8.617 1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.293 7.070 2.629 1.00 0.00 H new ATOM 1125 N ALA A 73 3.687 7.241 1.934 1.00 0.00 N ATOM 1126 CA ALA A 73 4.326 5.962 1.675 1.00 0.00 C ATOM 1127 C ALA A 73 4.979 5.453 2.961 1.00 0.00 C ATOM 1128 O ALA A 73 5.110 4.246 3.160 1.00 0.00 O ATOM 1129 CB ALA A 73 5.331 6.115 0.531 1.00 0.00 C ATOM 0 H ALA A 73 3.851 7.952 1.221 1.00 0.00 H new ATOM 0 HA ALA A 73 3.589 5.221 1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.810 5.155 0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.812 6.450 -0.367 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.088 6.849 0.807 1.00 0.00 H new ATOM 1135 N ASP A 74 5.373 6.398 3.801 1.00 0.00 N ATOM 1136 CA ASP A 74 6.010 6.061 5.063 1.00 0.00 C ATOM 1137 C ASP A 74 4.962 5.494 6.023 1.00 0.00 C ATOM 1138 O ASP A 74 5.185 4.461 6.651 1.00 0.00 O ATOM 1139 CB ASP A 74 6.630 7.298 5.716 1.00 0.00 C ATOM 1140 CG ASP A 74 5.858 8.601 5.494 1.00 0.00 C ATOM 1141 OD1 ASP A 74 4.630 8.579 5.727 1.00 0.00 O ATOM 1142 OD2 ASP A 74 6.513 9.588 5.098 1.00 0.00 O ATOM 0 H ASP A 74 5.263 7.398 3.633 1.00 0.00 H new ATOM 0 HA ASP A 74 6.793 5.330 4.860 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.714 7.121 6.788 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.643 7.423 5.333 1.00 0.00 H new ATOM 1147 N LYS A 75 3.841 6.196 6.106 1.00 0.00 N ATOM 1148 CA LYS A 75 2.758 5.776 6.978 1.00 0.00 C ATOM 1149 C LYS A 75 2.356 4.341 6.631 1.00 0.00 C ATOM 1150 O LYS A 75 2.273 3.486 7.510 1.00 0.00 O ATOM 1151 CB LYS A 75 1.599 6.773 6.912 1.00 0.00 C ATOM 1152 CG LYS A 75 2.085 8.198 7.185 1.00 0.00 C ATOM 1153 CD LYS A 75 1.414 8.777 8.432 1.00 0.00 C ATOM 1154 CE LYS A 75 1.582 10.296 8.490 1.00 0.00 C ATOM 1155 NZ LYS A 75 1.813 10.740 9.883 1.00 0.00 N ATOM 0 H LYS A 75 3.660 7.053 5.583 1.00 0.00 H new ATOM 0 HA LYS A 75 3.086 5.773 8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.131 6.727 5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.837 6.499 7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.167 8.198 7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.869 8.831 6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.354 8.525 8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.846 8.325 9.325 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.420 10.599 7.862 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.692 10.782 8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.925 11.774 9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.001 10.468 10.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.675 10.291 10.252 1.00 0.00 H new ATOM 1169 N ILE A 76 2.117 4.123 5.346 1.00 0.00 N ATOM 1170 CA ILE A 76 1.726 2.806 4.871 1.00 0.00 C ATOM 1171 C ILE A 76 2.553 1.741 5.594 1.00 0.00 C ATOM 1172 O ILE A 76 3.782 1.780 5.565 1.00 0.00 O ATOM 1173 CB ILE A 76 1.828 2.735 3.346 1.00 0.00 C ATOM 1174 CG1 ILE A 76 0.774 3.625 2.684 1.00 0.00 C ATOM 1175 CG2 ILE A 76 1.744 1.287 2.858 1.00 0.00 C ATOM 1176 CD1 ILE A 76 1.227 4.065 1.290 1.00 0.00 C ATOM 0 H ILE A 76 2.186 4.836 4.619 1.00 0.00 H new ATOM 0 HA ILE A 76 0.680 2.611 5.107 1.00 0.00 H new ATOM 0 HB ILE A 76 2.805 3.118 3.051 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.170 3.084 2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.591 4.502 3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.819 1.265 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.561 0.709 3.290 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.792 0.854 3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.460 4.696 0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.158 4.626 1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.386 3.186 0.665 1.00 0.00 H new ATOM 1188 N LYS A 77 1.846 0.815 6.224 1.00 0.00 N ATOM 1189 CA LYS A 77 2.500 -0.259 6.952 1.00 0.00 C ATOM 1190 C LYS A 77 1.832 -1.589 6.599 1.00 0.00 C ATOM 1191 O LYS A 77 0.628 -1.753 6.789 1.00 0.00 O ATOM 1192 CB LYS A 77 2.514 0.043 8.452 1.00 0.00 C ATOM 1193 CG LYS A 77 3.141 -1.111 9.238 1.00 0.00 C ATOM 1194 CD LYS A 77 3.417 -0.702 10.686 1.00 0.00 C ATOM 1195 CE LYS A 77 4.920 -0.666 10.968 1.00 0.00 C ATOM 1196 NZ LYS A 77 5.172 -0.413 12.405 1.00 0.00 N ATOM 0 H LYS A 77 0.827 0.786 6.246 1.00 0.00 H new ATOM 0 HA LYS A 77 3.546 -0.339 6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.074 0.960 8.637 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.496 0.215 8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.473 -1.973 9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.071 -1.419 8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.983 0.279 10.880 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.933 -1.404 11.365 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.374 -1.612 10.674 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.390 0.113 10.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.197 -0.392 12.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.756 0.501 12.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.740 -1.171 12.972 1.00 0.00 H new ATOM 1210 N PHE A 78 2.644 -2.506 6.092 1.00 0.00 N ATOM 1211 CA PHE A 78 2.147 -3.817 5.710 1.00 0.00 C ATOM 1212 C PHE A 78 2.321 -4.822 6.850 1.00 0.00 C ATOM 1213 O PHE A 78 3.243 -4.700 7.655 1.00 0.00 O ATOM 1214 CB PHE A 78 2.975 -4.277 4.509 1.00 0.00 C ATOM 1215 CG PHE A 78 2.494 -3.716 3.170 1.00 0.00 C ATOM 1216 CD1 PHE A 78 2.243 -2.385 3.041 1.00 0.00 C ATOM 1217 CD2 PHE A 78 2.318 -4.547 2.108 1.00 0.00 C ATOM 1218 CE1 PHE A 78 1.796 -1.865 1.797 1.00 0.00 C ATOM 1219 CE2 PHE A 78 1.871 -4.027 0.865 1.00 0.00 C ATOM 1220 CZ PHE A 78 1.620 -2.696 0.736 1.00 0.00 C ATOM 0 H PHE A 78 3.642 -2.367 5.937 1.00 0.00 H new ATOM 0 HA PHE A 78 1.085 -3.758 5.473 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.013 -3.983 4.663 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.956 -5.366 4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.384 -1.724 3.884 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.518 -5.603 2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.596 -0.809 1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.730 -4.688 0.022 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.281 -2.300 -0.210 1.00 0.00 H new ATOM 1230 N THR A 79 1.419 -5.793 6.883 1.00 0.00 N ATOM 1231 CA THR A 79 1.462 -6.818 7.912 1.00 0.00 C ATOM 1232 C THR A 79 1.458 -8.210 7.277 1.00 0.00 C ATOM 1233 O THR A 79 0.495 -8.590 6.611 1.00 0.00 O ATOM 1234 CB THR A 79 0.288 -6.582 8.864 1.00 0.00 C ATOM 1235 OG1 THR A 79 0.525 -5.278 9.389 1.00 0.00 O ATOM 1236 CG2 THR A 79 0.338 -7.493 10.093 1.00 0.00 C ATOM 0 H THR A 79 0.655 -5.891 6.214 1.00 0.00 H new ATOM 0 HA THR A 79 2.384 -6.760 8.490 1.00 0.00 H new ATOM 0 HB THR A 79 -0.649 -6.742 8.332 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.191 -5.043 10.016 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.518 -7.285 10.735 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.308 -8.535 9.775 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.260 -7.309 10.645 1.00 0.00 H new ATOM 1244 N VAL A 80 2.544 -8.933 7.505 1.00 0.00 N ATOM 1245 CA VAL A 80 2.678 -10.275 6.964 1.00 0.00 C ATOM 1246 C VAL A 80 2.463 -11.296 8.083 1.00 0.00 C ATOM 1247 O VAL A 80 3.281 -11.403 8.995 1.00 0.00 O ATOM 1248 CB VAL A 80 4.032 -10.426 6.268 1.00 0.00 C ATOM 1249 CG1 VAL A 80 4.317 -11.892 5.936 1.00 0.00 C ATOM 1250 CG2 VAL A 80 4.104 -9.555 5.013 1.00 0.00 C ATOM 0 H VAL A 80 3.340 -8.615 8.058 1.00 0.00 H new ATOM 0 HA VAL A 80 1.916 -10.459 6.206 1.00 0.00 H new ATOM 0 HB VAL A 80 4.803 -10.083 6.958 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.285 -11.972 5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.330 -12.477 6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.539 -12.273 5.274 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.077 -9.681 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.319 -9.853 4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.968 -8.509 5.288 1.00 0.00 H new