USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 601 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 64 GLN : amide:sc= -1.1 K(o=-1,f=-2.1!) USER MOD Set 1.2: A 67 SER OG : rot -9:sc= 0.0835 USER MOD Set 2.1: A 13 ASN : amide:sc= 0.271 X(o=-0.84,f=-0.54) USER MOD Set 2.2: A 17 GLN : amide:sc= -1.12 X(o=-0.84,f=-0.54) USER MOD Single : A 16 HIS : no HE2:sc= -4.27 K(o=-4.3,f=-6.5!) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 19 SER OG : rot -70:sc= -0.0178 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0941 USER MOD Single : A 37 CYS SG : rot -90:sc= -0.907 USER MOD Single : A 38 HIS : no HD1:sc=-0.00987 K(o=-0.0099,f=-0.51) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -22:sc= 0.666 USER MOD Single : A 43 THR OG1 : rot 72:sc= 0.238 USER MOD Single : A 44 TYR OH : rot 100:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 147:sc= -2.95 (180deg=-7.18!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 150:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0204 X(o=-0.02,f=-0.22) USER MOD Single : A 58 HIS : no HD1:sc= -2.82 K(o=-2.8,f=-4!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -5.05! C(o=-5!,f=-2.9!) USER MOD Single : A 69 MET CE :methyl -154:sc= -0.73 (180deg=-2.11) USER MOD Single : A 70 LYS NZ :NH3+ -108:sc= -0.696 (180deg=-2.42!) USER MOD Single : A 71 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.22) USER MOD Single : A 76 GLN : amide:sc= -0.706 X(o=-0.71,f=-0.71) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N GLY A 10 -5.431 18.464 0.294 1.00 0.00 N ATOM 99 CA GLY A 10 -5.922 17.952 -0.972 1.00 0.00 C ATOM 100 C GLY A 10 -5.176 16.713 -1.425 1.00 0.00 C ATOM 101 O GLY A 10 -5.742 15.625 -1.529 1.00 0.00 O ATOM 0 HA2 GLY A 10 -6.983 17.720 -0.880 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.830 18.726 -1.734 1.00 0.00 H new ATOM 105 N PRO A 11 -3.873 16.870 -1.704 1.00 0.00 N ATOM 106 CA PRO A 11 -3.021 15.766 -2.154 1.00 0.00 C ATOM 107 C PRO A 11 -2.761 14.747 -1.050 1.00 0.00 C ATOM 108 O PRO A 11 -2.316 13.629 -1.314 1.00 0.00 O ATOM 109 CB PRO A 11 -1.719 16.463 -2.556 1.00 0.00 C ATOM 110 CG PRO A 11 -1.697 17.717 -1.751 1.00 0.00 C ATOM 111 CD PRO A 11 -3.133 18.139 -1.602 1.00 0.00 C ATOM 0 HA PRO A 11 -3.483 15.198 -2.962 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.852 15.838 -2.340 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.698 16.678 -3.624 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.237 17.548 -0.777 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.113 18.490 -2.249 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.310 18.632 -0.646 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.429 18.841 -2.382 1.00 0.00 H new ATOM 119 N LEU A 12 -3.043 15.139 0.188 1.00 0.00 N ATOM 120 CA LEU A 12 -2.840 14.259 1.334 1.00 0.00 C ATOM 121 C LEU A 12 -3.959 13.227 1.433 1.00 0.00 C ATOM 122 O LEU A 12 -3.706 12.041 1.637 1.00 0.00 O ATOM 123 CB LEU A 12 -2.770 15.078 2.624 1.00 0.00 C ATOM 124 CG LEU A 12 -1.451 15.805 2.887 1.00 0.00 C ATOM 125 CD1 LEU A 12 -1.626 16.851 3.977 1.00 0.00 C ATOM 126 CD2 LEU A 12 -0.362 14.813 3.268 1.00 0.00 C ATOM 0 H LEU A 12 -3.413 16.060 0.424 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.896 13.732 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.571 15.817 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.969 14.413 3.464 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.149 16.312 1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.677 17.358 4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.375 17.579 3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.952 16.366 4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.570 15.348 3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.657 14.278 4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.218 14.101 2.455 1.00 0.00 H new ATOM 138 N ASN A 13 -5.197 13.688 1.284 1.00 0.00 N ATOM 139 CA ASN A 13 -6.355 12.804 1.355 1.00 0.00 C ATOM 140 C ASN A 13 -6.415 11.888 0.137 1.00 0.00 C ATOM 141 O ASN A 13 -6.480 10.665 0.268 1.00 0.00 O ATOM 142 CB ASN A 13 -7.642 13.624 1.456 1.00 0.00 C ATOM 143 CG ASN A 13 -8.872 12.818 1.083 1.00 0.00 C ATOM 144 OD1 ASN A 13 -9.417 12.965 -0.011 1.00 0.00 O ATOM 145 ND2 ASN A 13 -9.315 11.959 1.995 1.00 0.00 N ATOM 0 H ASN A 13 -5.424 14.668 1.113 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.256 12.186 2.247 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.752 13.999 2.474 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.568 14.493 0.802 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.138 11.389 1.801 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.832 11.870 2.889 1.00 0.00 H new ATOM 152 N LEU A 14 -6.394 12.488 -1.049 1.00 0.00 N ATOM 153 CA LEU A 14 -6.446 11.727 -2.292 1.00 0.00 C ATOM 154 C LEU A 14 -5.618 10.450 -2.184 1.00 0.00 C ATOM 155 O LEU A 14 -6.015 9.397 -2.682 1.00 0.00 O ATOM 156 CB LEU A 14 -5.939 12.579 -3.457 1.00 0.00 C ATOM 157 CG LEU A 14 -6.949 13.554 -4.064 1.00 0.00 C ATOM 158 CD1 LEU A 14 -6.232 14.685 -4.785 1.00 0.00 C ATOM 159 CD2 LEU A 14 -7.889 12.825 -5.013 1.00 0.00 C ATOM 0 H LEU A 14 -6.341 13.499 -1.175 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.484 11.451 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.074 13.148 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.590 11.911 -4.245 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.541 13.984 -3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.967 15.369 -5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.601 15.224 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.614 14.274 -5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.601 13.534 -5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.312 12.367 -5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.428 12.051 -4.467 1.00 0.00 H new ATOM 171 N ALA A 15 -4.466 10.551 -1.528 1.00 0.00 N ATOM 172 CA ALA A 15 -3.585 9.404 -1.351 1.00 0.00 C ATOM 173 C ALA A 15 -4.210 8.370 -0.420 1.00 0.00 C ATOM 174 O ALA A 15 -4.111 7.166 -0.658 1.00 0.00 O ATOM 175 CB ALA A 15 -2.235 9.854 -0.812 1.00 0.00 C ATOM 0 H ALA A 15 -4.122 11.416 -1.111 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.438 8.936 -2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.587 8.987 -0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.776 10.550 -1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.374 10.348 0.150 1.00 0.00 H new ATOM 181 N HIS A 16 -4.852 8.848 0.641 1.00 0.00 N ATOM 182 CA HIS A 16 -5.493 7.964 1.608 1.00 0.00 C ATOM 183 C HIS A 16 -6.576 7.121 0.940 1.00 0.00 C ATOM 184 O HIS A 16 -6.651 5.912 1.152 1.00 0.00 O ATOM 185 CB HIS A 16 -6.098 8.778 2.753 1.00 0.00 C ATOM 186 CG HIS A 16 -5.158 9.792 3.328 1.00 0.00 C ATOM 187 ND1 HIS A 16 -5.582 10.883 4.057 1.00 0.00 N ATOM 188 CD2 HIS A 16 -3.808 9.875 3.280 1.00 0.00 C ATOM 189 CE1 HIS A 16 -4.533 11.594 4.431 1.00 0.00 C ATOM 190 NE2 HIS A 16 -3.444 11.004 3.973 1.00 0.00 N ATOM 0 H HIS A 16 -4.942 9.842 0.853 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.733 7.295 2.010 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.993 9.287 2.393 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.414 8.098 3.544 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -6.553 11.106 4.274 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.141 9.182 2.788 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.561 12.504 5.013 1.00 0.00 H new ATOM 199 N GLN A 17 -7.410 7.770 0.135 1.00 0.00 N ATOM 200 CA GLN A 17 -8.489 7.080 -0.563 1.00 0.00 C ATOM 201 C GLN A 17 -8.042 5.696 -1.023 1.00 0.00 C ATOM 202 O GLN A 17 -8.833 4.753 -1.041 1.00 0.00 O ATOM 203 CB GLN A 17 -8.957 7.903 -1.764 1.00 0.00 C ATOM 204 CG GLN A 17 -9.648 9.202 -1.379 1.00 0.00 C ATOM 205 CD GLN A 17 -10.090 10.007 -2.585 1.00 0.00 C ATOM 206 OE1 GLN A 17 -10.625 9.459 -3.550 1.00 0.00 O ATOM 207 NE2 GLN A 17 -9.870 11.316 -2.537 1.00 0.00 N ATOM 0 H GLN A 17 -7.360 8.772 -0.050 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.320 6.961 0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.098 8.131 -2.395 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.641 7.301 -2.362 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.516 8.978 -0.759 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.970 9.804 -0.773 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.424 11.728 -1.718 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.147 11.909 -3.319 1.00 0.00 H new ATOM 216 N GLN A 18 -6.771 5.583 -1.394 1.00 0.00 N ATOM 217 CA GLN A 18 -6.220 4.314 -1.855 1.00 0.00 C ATOM 218 C GLN A 18 -5.620 3.527 -0.694 1.00 0.00 C ATOM 219 O GLN A 18 -5.867 2.330 -0.550 1.00 0.00 O ATOM 220 CB GLN A 18 -5.156 4.556 -2.927 1.00 0.00 C ATOM 221 CG GLN A 18 -5.663 5.352 -4.119 1.00 0.00 C ATOM 222 CD GLN A 18 -6.258 4.471 -5.199 1.00 0.00 C ATOM 223 OE1 GLN A 18 -7.265 3.796 -4.981 1.00 0.00 O ATOM 224 NE2 GLN A 18 -5.638 4.473 -6.373 1.00 0.00 N ATOM 0 H GLN A 18 -6.104 6.354 -1.384 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.032 3.728 -2.285 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.315 5.085 -2.479 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.779 3.595 -3.276 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.416 6.065 -3.781 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.841 5.931 -4.540 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.806 5.048 -6.510 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.993 3.900 -7.138 1.00 0.00 H new ATOM 233 N SER A 19 -4.831 4.208 0.130 1.00 0.00 N ATOM 234 CA SER A 19 -4.192 3.572 1.276 1.00 0.00 C ATOM 235 C SER A 19 -5.126 2.554 1.923 1.00 0.00 C ATOM 236 O SER A 19 -4.746 1.407 2.158 1.00 0.00 O ATOM 237 CB SER A 19 -3.775 4.625 2.305 1.00 0.00 C ATOM 238 OG SER A 19 -4.815 4.868 3.236 1.00 0.00 O ATOM 0 H SER A 19 -4.619 5.200 0.026 1.00 0.00 H new ATOM 0 HA SER A 19 -3.303 3.050 0.921 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.882 4.289 2.832 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.515 5.553 1.796 1.00 0.00 H new ATOM 0 HG SER A 19 -5.547 5.344 2.792 1.00 0.00 H new ATOM 244 N ARG A 20 -6.351 2.983 2.209 1.00 0.00 N ATOM 245 CA ARG A 20 -7.341 2.111 2.830 1.00 0.00 C ATOM 246 C ARG A 20 -7.508 0.823 2.031 1.00 0.00 C ATOM 247 O ARG A 20 -7.601 -0.265 2.600 1.00 0.00 O ATOM 248 CB ARG A 20 -8.686 2.831 2.945 1.00 0.00 C ATOM 249 CG ARG A 20 -9.377 3.047 1.609 1.00 0.00 C ATOM 250 CD ARG A 20 -10.521 4.042 1.728 1.00 0.00 C ATOM 251 NE ARG A 20 -11.405 3.727 2.847 1.00 0.00 N ATOM 252 CZ ARG A 20 -12.220 4.612 3.411 1.00 0.00 C ATOM 253 NH1 ARG A 20 -12.262 5.859 2.962 1.00 0.00 N ATOM 254 NH2 ARG A 20 -12.995 4.250 4.425 1.00 0.00 N ATOM 0 H ARG A 20 -6.682 3.929 2.021 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.987 1.855 3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.343 2.254 3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.531 3.797 3.425 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.654 3.408 0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.758 2.096 1.237 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.117 5.046 1.857 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.096 4.046 0.802 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.396 2.776 3.216 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.668 6.141 2.182 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.888 6.537 3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.966 3.291 4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.620 4.930 4.857 1.00 0.00 H new ATOM 268 N ARG A 21 -7.546 0.953 0.709 1.00 0.00 N ATOM 269 CA ARG A 21 -7.704 -0.200 -0.169 1.00 0.00 C ATOM 270 C ARG A 21 -6.633 -1.249 0.114 1.00 0.00 C ATOM 271 O ARG A 21 -6.930 -2.437 0.239 1.00 0.00 O ATOM 272 CB ARG A 21 -7.634 0.234 -1.634 1.00 0.00 C ATOM 273 CG ARG A 21 -7.917 -0.891 -2.616 1.00 0.00 C ATOM 274 CD ARG A 21 -7.891 -0.395 -4.054 1.00 0.00 C ATOM 275 NE ARG A 21 -7.705 -1.487 -5.006 1.00 0.00 N ATOM 276 CZ ARG A 21 -8.076 -1.422 -6.280 1.00 0.00 C ATOM 277 NH1 ARG A 21 -8.650 -0.324 -6.751 1.00 0.00 N ATOM 278 NH2 ARG A 21 -7.873 -2.457 -7.085 1.00 0.00 N ATOM 0 H ARG A 21 -7.469 1.846 0.222 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.681 -0.642 0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.350 1.039 -1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.644 0.641 -1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.177 -1.681 -2.489 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.891 -1.329 -2.399 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.824 0.124 -4.275 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.086 0.331 -4.173 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.266 -2.346 -4.675 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.808 0.473 -6.135 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.934 -0.277 -7.730 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.432 -3.304 -6.726 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.158 -2.406 -8.063 1.00 0.00 H new ATOM 292 N ALA A 22 -5.385 -0.801 0.213 1.00 0.00 N ATOM 293 CA ALA A 22 -4.270 -1.701 0.483 1.00 0.00 C ATOM 294 C ALA A 22 -4.593 -2.647 1.634 1.00 0.00 C ATOM 295 O ALA A 22 -4.243 -3.826 1.598 1.00 0.00 O ATOM 296 CB ALA A 22 -3.011 -0.903 0.790 1.00 0.00 C ATOM 0 H ALA A 22 -5.121 0.179 0.110 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.097 -2.303 -0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.186 -1.587 0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.762 -0.274 -0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.182 -0.276 1.665 1.00 0.00 H new ATOM 302 N ASP A 23 -5.263 -2.122 2.655 1.00 0.00 N ATOM 303 CA ASP A 23 -5.634 -2.920 3.817 1.00 0.00 C ATOM 304 C ASP A 23 -6.637 -4.004 3.435 1.00 0.00 C ATOM 305 O ASP A 23 -6.342 -5.196 3.525 1.00 0.00 O ATOM 306 CB ASP A 23 -6.222 -2.026 4.910 1.00 0.00 C ATOM 307 CG ASP A 23 -6.878 -2.823 6.020 1.00 0.00 C ATOM 308 OD1 ASP A 23 -7.858 -3.542 5.734 1.00 0.00 O ATOM 309 OD2 ASP A 23 -6.412 -2.728 7.175 1.00 0.00 O ATOM 0 H ASP A 23 -5.560 -1.147 2.701 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.734 -3.402 4.198 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.432 -1.405 5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.956 -1.352 4.468 1.00 0.00 H new ATOM 314 N ARG A 24 -7.823 -3.581 3.009 1.00 0.00 N ATOM 315 CA ARG A 24 -8.870 -4.516 2.615 1.00 0.00 C ATOM 316 C ARG A 24 -8.301 -5.638 1.751 1.00 0.00 C ATOM 317 O ARG A 24 -8.879 -6.722 1.662 1.00 0.00 O ATOM 318 CB ARG A 24 -9.977 -3.784 1.855 1.00 0.00 C ATOM 319 CG ARG A 24 -10.958 -3.055 2.759 1.00 0.00 C ATOM 320 CD ARG A 24 -11.915 -4.022 3.437 1.00 0.00 C ATOM 321 NE ARG A 24 -12.777 -4.703 2.475 1.00 0.00 N ATOM 322 CZ ARG A 24 -12.461 -5.853 1.891 1.00 0.00 C ATOM 323 NH1 ARG A 24 -11.309 -6.448 2.169 1.00 0.00 N ATOM 324 NH2 ARG A 24 -13.299 -6.411 1.026 1.00 0.00 N ATOM 0 H ARG A 24 -8.082 -2.598 2.928 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.289 -4.955 3.520 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.523 -3.066 1.172 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.524 -4.503 1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.409 -2.494 3.516 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.525 -2.331 2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.345 -4.761 4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.530 -3.480 4.155 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.671 -4.272 2.239 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.662 -6.022 2.833 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.069 -7.331 1.719 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.186 -5.956 0.810 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.056 -7.294 0.578 1.00 0.00 H new ATOM 338 N LEU A 25 -7.166 -5.370 1.116 1.00 0.00 N ATOM 339 CA LEU A 25 -6.518 -6.356 0.258 1.00 0.00 C ATOM 340 C LEU A 25 -5.595 -7.260 1.068 1.00 0.00 C ATOM 341 O LEU A 25 -5.524 -8.467 0.831 1.00 0.00 O ATOM 342 CB LEU A 25 -5.725 -5.657 -0.848 1.00 0.00 C ATOM 343 CG LEU A 25 -6.552 -4.972 -1.936 1.00 0.00 C ATOM 344 CD1 LEU A 25 -5.710 -3.950 -2.683 1.00 0.00 C ATOM 345 CD2 LEU A 25 -7.122 -6.003 -2.901 1.00 0.00 C ATOM 0 H LEU A 25 -6.675 -4.478 1.179 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.294 -6.973 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.078 -4.911 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.076 -6.393 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.382 -4.450 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.316 -3.473 -3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.350 -3.195 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.859 -4.449 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.708 -5.498 -3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.306 -6.553 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.761 -6.698 -2.356 1.00 0.00 H new ATOM 357 N LEU A 26 -4.889 -6.669 2.027 1.00 0.00 N ATOM 358 CA LEU A 26 -3.971 -7.422 2.875 1.00 0.00 C ATOM 359 C LEU A 26 -4.700 -8.546 3.604 1.00 0.00 C ATOM 360 O LEU A 26 -4.157 -9.635 3.786 1.00 0.00 O ATOM 361 CB LEU A 26 -3.303 -6.490 3.888 1.00 0.00 C ATOM 362 CG LEU A 26 -2.870 -7.133 5.206 1.00 0.00 C ATOM 363 CD1 LEU A 26 -1.713 -8.093 4.978 1.00 0.00 C ATOM 364 CD2 LEU A 26 -2.487 -6.064 6.220 1.00 0.00 C ATOM 0 H LEU A 26 -4.935 -5.672 2.236 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.206 -7.865 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.426 -6.044 3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.992 -5.676 4.113 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.711 -7.700 5.605 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.419 -8.541 5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.022 -8.878 4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.867 -7.550 4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.181 -6.539 7.152 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.661 -5.470 5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.343 -5.416 6.407 1.00 0.00 H new ATOM 376 N ALA A 27 -5.934 -8.274 4.017 1.00 0.00 N ATOM 377 CA ALA A 27 -6.739 -9.264 4.721 1.00 0.00 C ATOM 378 C ALA A 27 -7.077 -10.443 3.815 1.00 0.00 C ATOM 379 O ALA A 27 -7.204 -11.576 4.277 1.00 0.00 O ATOM 380 CB ALA A 27 -8.011 -8.625 5.257 1.00 0.00 C ATOM 0 H ALA A 27 -6.397 -7.376 3.876 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.154 -9.641 5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.603 -9.376 5.781 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.752 -7.822 5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.591 -8.219 4.428 1.00 0.00 H new ATOM 386 N ALA A 28 -7.222 -10.167 2.523 1.00 0.00 N ATOM 387 CA ALA A 28 -7.544 -11.205 1.552 1.00 0.00 C ATOM 388 C ALA A 28 -6.279 -11.858 1.006 1.00 0.00 C ATOM 389 O ALA A 28 -6.342 -12.715 0.125 1.00 0.00 O ATOM 390 CB ALA A 28 -8.374 -10.626 0.416 1.00 0.00 C ATOM 0 H ALA A 28 -7.122 -9.233 2.125 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.128 -11.973 2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.607 -11.412 -0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.300 -10.213 0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.810 -9.837 -0.081 1.00 0.00 H new ATOM 396 N GLY A 29 -5.131 -11.447 1.534 1.00 0.00 N ATOM 397 CA GLY A 29 -3.867 -12.002 1.087 1.00 0.00 C ATOM 398 C GLY A 29 -3.435 -11.450 -0.258 1.00 0.00 C ATOM 399 O GLY A 29 -2.501 -11.961 -0.877 1.00 0.00 O ATOM 0 H GLY A 29 -5.053 -10.739 2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.097 -11.788 1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.953 -13.087 1.021 1.00 0.00 H new ATOM 403 N LYS A 30 -4.116 -10.404 -0.712 1.00 0.00 N ATOM 404 CA LYS A 30 -3.799 -9.781 -1.992 1.00 0.00 C ATOM 405 C LYS A 30 -2.638 -8.802 -1.848 1.00 0.00 C ATOM 406 O LYS A 30 -2.666 -7.704 -2.405 1.00 0.00 O ATOM 407 CB LYS A 30 -5.026 -9.054 -2.547 1.00 0.00 C ATOM 408 CG LYS A 30 -6.172 -9.984 -2.908 1.00 0.00 C ATOM 409 CD LYS A 30 -6.075 -10.455 -4.349 1.00 0.00 C ATOM 410 CE LYS A 30 -7.443 -10.809 -4.913 1.00 0.00 C ATOM 411 NZ LYS A 30 -7.796 -12.233 -4.660 1.00 0.00 N ATOM 0 H LYS A 30 -4.892 -9.969 -0.212 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.505 -10.567 -2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.374 -8.331 -1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.734 -8.490 -3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.166 -10.846 -2.241 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.121 -9.470 -2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.620 -9.674 -4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.421 -11.325 -4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.198 -10.163 -4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.454 -10.617 -5.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.735 -12.434 -5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.089 -12.851 -5.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.811 -12.410 -3.635 1.00 0.00 H new ATOM 425 N TYR A 31 -1.618 -9.208 -1.100 1.00 0.00 N ATOM 426 CA TYR A 31 -0.447 -8.366 -0.883 1.00 0.00 C ATOM 427 C TYR A 31 -0.098 -7.582 -2.144 1.00 0.00 C ATOM 428 O TYR A 31 -0.092 -6.352 -2.140 1.00 0.00 O ATOM 429 CB TYR A 31 0.747 -9.219 -0.452 1.00 0.00 C ATOM 430 CG TYR A 31 0.485 -10.048 0.785 1.00 0.00 C ATOM 431 CD1 TYR A 31 0.749 -9.543 2.052 1.00 0.00 C ATOM 432 CD2 TYR A 31 -0.025 -11.336 0.687 1.00 0.00 C ATOM 433 CE1 TYR A 31 0.512 -10.296 3.185 1.00 0.00 C ATOM 434 CE2 TYR A 31 -0.267 -12.097 1.815 1.00 0.00 C ATOM 435 CZ TYR A 31 0.004 -11.572 3.062 1.00 0.00 C ATOM 436 OH TYR A 31 -0.234 -12.327 4.187 1.00 0.00 O ATOM 0 H TYR A 31 -1.578 -10.114 -0.634 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.683 -7.656 -0.090 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.023 -9.882 -1.272 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.601 -8.567 -0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.147 -8.544 2.153 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.236 -11.750 -0.288 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.723 -9.888 4.162 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.666 -13.096 1.721 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.592 -13.201 3.925 1.00 0.00 H new ATOM 446 N GLU A 32 0.190 -8.305 -3.222 1.00 0.00 N ATOM 447 CA GLU A 32 0.541 -7.677 -4.490 1.00 0.00 C ATOM 448 C GLU A 32 -0.376 -6.493 -4.782 1.00 0.00 C ATOM 449 O GLU A 32 0.091 -5.389 -5.063 1.00 0.00 O ATOM 450 CB GLU A 32 0.455 -8.695 -5.629 1.00 0.00 C ATOM 451 CG GLU A 32 1.150 -8.244 -6.903 1.00 0.00 C ATOM 452 CD GLU A 32 0.250 -7.411 -7.795 1.00 0.00 C ATOM 453 OE1 GLU A 32 0.072 -6.210 -7.501 1.00 0.00 O ATOM 454 OE2 GLU A 32 -0.276 -7.959 -8.786 1.00 0.00 O ATOM 0 H GLU A 32 0.187 -9.325 -3.242 1.00 0.00 H new ATOM 0 HA GLU A 32 1.565 -7.312 -4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.896 -9.636 -5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.594 -8.894 -5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.036 -7.664 -6.643 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.493 -9.119 -7.455 1.00 0.00 H new ATOM 461 N GLU A 33 -1.682 -6.731 -4.715 1.00 0.00 N ATOM 462 CA GLU A 33 -2.664 -5.684 -4.973 1.00 0.00 C ATOM 463 C GLU A 33 -2.411 -4.470 -4.084 1.00 0.00 C ATOM 464 O GLU A 33 -2.552 -3.328 -4.520 1.00 0.00 O ATOM 465 CB GLU A 33 -4.080 -6.214 -4.742 1.00 0.00 C ATOM 466 CG GLU A 33 -4.493 -7.298 -5.724 1.00 0.00 C ATOM 467 CD GLU A 33 -4.446 -6.828 -7.165 1.00 0.00 C ATOM 468 OE1 GLU A 33 -5.415 -6.174 -7.606 1.00 0.00 O ATOM 469 OE2 GLU A 33 -3.443 -7.113 -7.851 1.00 0.00 O ATOM 0 H GLU A 33 -2.085 -7.639 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.565 -5.377 -6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.150 -6.608 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.785 -5.385 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.836 -8.160 -5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.503 -7.632 -5.487 1.00 0.00 H new ATOM 476 N ALA A 34 -2.039 -4.727 -2.834 1.00 0.00 N ATOM 477 CA ALA A 34 -1.766 -3.657 -1.883 1.00 0.00 C ATOM 478 C ALA A 34 -0.447 -2.962 -2.203 1.00 0.00 C ATOM 479 O ALA A 34 -0.302 -1.757 -1.991 1.00 0.00 O ATOM 480 CB ALA A 34 -1.746 -4.204 -0.463 1.00 0.00 C ATOM 0 H ALA A 34 -1.920 -5.667 -2.457 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.565 -2.920 -1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.541 -3.393 0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.714 -4.648 -0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.969 -4.963 -0.376 1.00 0.00 H new ATOM 486 N ILE A 35 0.512 -3.728 -2.712 1.00 0.00 N ATOM 487 CA ILE A 35 1.819 -3.185 -3.061 1.00 0.00 C ATOM 488 C ILE A 35 1.690 -2.041 -4.061 1.00 0.00 C ATOM 489 O ILE A 35 2.045 -0.900 -3.765 1.00 0.00 O ATOM 490 CB ILE A 35 2.739 -4.268 -3.654 1.00 0.00 C ATOM 491 CG1 ILE A 35 3.075 -5.319 -2.593 1.00 0.00 C ATOM 492 CG2 ILE A 35 4.010 -3.640 -4.205 1.00 0.00 C ATOM 493 CD1 ILE A 35 3.803 -6.524 -3.146 1.00 0.00 C ATOM 0 H ILE A 35 0.408 -4.727 -2.892 1.00 0.00 H new ATOM 0 HA ILE A 35 2.261 -2.810 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 35 2.215 -4.760 -4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.688 -4.858 -1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.153 -5.649 -2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.650 -4.418 -4.621 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.753 -2.925 -4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.539 -3.125 -3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.009 -7.227 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.183 -7.009 -3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.742 -6.206 -3.598 1.00 0.00 H new ATOM 505 N SER A 36 1.177 -2.354 -5.247 1.00 0.00 N ATOM 506 CA SER A 36 1.002 -1.353 -6.292 1.00 0.00 C ATOM 507 C SER A 36 0.161 -0.183 -5.789 1.00 0.00 C ATOM 508 O SER A 36 0.538 0.979 -5.945 1.00 0.00 O ATOM 509 CB SER A 36 0.341 -1.979 -7.522 1.00 0.00 C ATOM 510 OG SER A 36 -0.935 -2.507 -7.203 1.00 0.00 O ATOM 0 H SER A 36 0.875 -3.293 -5.508 1.00 0.00 H new ATOM 0 HA SER A 36 1.987 -0.977 -6.569 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.242 -1.229 -8.307 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.977 -2.771 -7.917 1.00 0.00 H new ATOM 0 HG SER A 36 -1.337 -2.900 -8.006 1.00 0.00 H new ATOM 516 N CYS A 37 -0.980 -0.499 -5.187 1.00 0.00 N ATOM 517 CA CYS A 37 -1.876 0.524 -4.661 1.00 0.00 C ATOM 518 C CYS A 37 -1.088 1.645 -3.991 1.00 0.00 C ATOM 519 O CYS A 37 -1.316 2.825 -4.258 1.00 0.00 O ATOM 520 CB CYS A 37 -2.859 -0.092 -3.664 1.00 0.00 C ATOM 521 SG CYS A 37 -4.358 0.885 -3.406 1.00 0.00 S ATOM 0 H CYS A 37 -1.306 -1.456 -5.051 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.435 0.946 -5.496 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.141 -1.085 -4.015 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.355 -0.223 -2.707 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.169 1.720 -2.428 1.00 0.00 H new ATOM 527 N HIS A 38 -0.160 1.268 -3.117 1.00 0.00 N ATOM 528 CA HIS A 38 0.661 2.241 -2.406 1.00 0.00 C ATOM 529 C HIS A 38 1.521 3.041 -3.381 1.00 0.00 C ATOM 530 O HIS A 38 1.625 4.263 -3.273 1.00 0.00 O ATOM 531 CB HIS A 38 1.552 1.538 -1.382 1.00 0.00 C ATOM 532 CG HIS A 38 0.834 1.159 -0.123 1.00 0.00 C ATOM 533 ND1 HIS A 38 0.203 2.078 0.689 1.00 0.00 N ATOM 534 CD2 HIS A 38 0.647 -0.048 0.460 1.00 0.00 C ATOM 535 CE1 HIS A 38 -0.339 1.453 1.718 1.00 0.00 C ATOM 536 NE2 HIS A 38 -0.085 0.162 1.603 1.00 0.00 N ATOM 0 H HIS A 38 0.042 0.296 -2.884 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.005 2.929 -1.885 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.973 0.640 -1.835 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.388 2.191 -1.131 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.006 -0.999 0.095 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.896 1.918 2.518 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -0.384 -0.562 2.257 1.00 0.00 H new ATOM 545 N ARG A 39 2.134 2.343 -4.331 1.00 0.00 N ATOM 546 CA ARG A 39 2.986 2.988 -5.323 1.00 0.00 C ATOM 547 C ARG A 39 2.260 4.154 -5.988 1.00 0.00 C ATOM 548 O ARG A 39 2.740 5.288 -5.975 1.00 0.00 O ATOM 549 CB ARG A 39 3.426 1.977 -6.383 1.00 0.00 C ATOM 550 CG ARG A 39 4.329 0.881 -5.841 1.00 0.00 C ATOM 551 CD ARG A 39 5.075 0.170 -6.960 1.00 0.00 C ATOM 552 NE ARG A 39 6.240 0.927 -7.408 1.00 0.00 N ATOM 553 CZ ARG A 39 6.930 0.633 -8.505 1.00 0.00 C ATOM 554 NH1 ARG A 39 6.572 -0.395 -9.262 1.00 0.00 N ATOM 555 NH2 ARG A 39 7.979 1.369 -8.847 1.00 0.00 N ATOM 0 H ARG A 39 2.057 1.331 -4.435 1.00 0.00 H new ATOM 0 HA ARG A 39 3.867 3.375 -4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.541 1.521 -6.827 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.948 2.504 -7.182 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.045 1.311 -5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.732 0.159 -5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.393 -0.814 -6.616 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.401 0.011 -7.801 1.00 0.00 H new ATOM 0 HE ARG A 39 6.541 1.725 -6.849 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.765 -0.963 -9.003 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.104 -0.618 -10.103 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.257 2.161 -8.268 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.508 1.143 -9.689 1.00 0.00 H new ATOM 569 N LYS A 40 1.100 3.868 -6.569 1.00 0.00 N ATOM 570 CA LYS A 40 0.305 4.891 -7.238 1.00 0.00 C ATOM 571 C LYS A 40 0.154 6.126 -6.356 1.00 0.00 C ATOM 572 O LYS A 40 0.225 7.256 -6.837 1.00 0.00 O ATOM 573 CB LYS A 40 -1.075 4.338 -7.601 1.00 0.00 C ATOM 574 CG LYS A 40 -1.065 3.431 -8.820 1.00 0.00 C ATOM 575 CD LYS A 40 -2.165 2.385 -8.745 1.00 0.00 C ATOM 576 CE LYS A 40 -2.134 1.456 -9.949 1.00 0.00 C ATOM 577 NZ LYS A 40 -3.178 0.399 -9.861 1.00 0.00 N ATOM 0 H LYS A 40 0.689 2.935 -6.590 1.00 0.00 H new ATOM 0 HA LYS A 40 0.825 5.180 -8.151 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.471 3.784 -6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.754 5.171 -7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.192 4.030 -9.722 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.097 2.937 -8.899 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.052 1.802 -7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.135 2.879 -8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.281 2.037 -10.860 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.151 0.990 -10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.124 -0.213 -10.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.023 -0.172 -9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.118 0.842 -9.816 1.00 0.00 H new ATOM 591 N ALA A 41 -0.054 5.901 -5.062 1.00 0.00 N ATOM 592 CA ALA A 41 -0.212 6.996 -4.113 1.00 0.00 C ATOM 593 C ALA A 41 1.088 7.776 -3.953 1.00 0.00 C ATOM 594 O ALA A 41 1.128 8.988 -4.164 1.00 0.00 O ATOM 595 CB ALA A 41 -0.680 6.463 -2.766 1.00 0.00 C ATOM 0 H ALA A 41 -0.117 4.971 -4.648 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.967 7.677 -4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.794 7.291 -2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.638 5.957 -2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.056 5.759 -2.378 1.00 0.00 H new ATOM 601 N THR A 42 2.152 7.073 -3.576 1.00 0.00 N ATOM 602 CA THR A 42 3.454 7.699 -3.386 1.00 0.00 C ATOM 603 C THR A 42 3.830 8.562 -4.585 1.00 0.00 C ATOM 604 O THR A 42 4.240 9.713 -4.432 1.00 0.00 O ATOM 605 CB THR A 42 4.556 6.647 -3.159 1.00 0.00 C ATOM 606 OG1 THR A 42 4.507 5.656 -4.192 1.00 0.00 O ATOM 607 CG2 THR A 42 4.397 5.981 -1.801 1.00 0.00 C ATOM 0 H THR A 42 2.137 6.069 -3.396 1.00 0.00 H new ATOM 0 HA THR A 42 3.375 8.328 -2.500 1.00 0.00 H new ATOM 0 HB THR A 42 5.522 7.152 -3.187 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.615 5.650 -4.598 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.186 5.242 -1.663 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.464 6.734 -1.016 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.426 5.489 -1.749 1.00 0.00 H new ATOM 615 N THR A 43 3.687 8.000 -5.781 1.00 0.00 N ATOM 616 CA THR A 43 4.012 8.717 -7.007 1.00 0.00 C ATOM 617 C THR A 43 3.371 10.101 -7.021 1.00 0.00 C ATOM 618 O THR A 43 4.049 11.107 -7.232 1.00 0.00 O ATOM 619 CB THR A 43 3.550 7.938 -8.254 1.00 0.00 C ATOM 620 OG1 THR A 43 4.211 6.669 -8.311 1.00 0.00 O ATOM 621 CG2 THR A 43 3.842 8.725 -9.522 1.00 0.00 C ATOM 0 H THR A 43 3.348 7.049 -5.926 1.00 0.00 H new ATOM 0 HA THR A 43 5.097 8.821 -7.034 1.00 0.00 H new ATOM 0 HB THR A 43 2.473 7.784 -8.181 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.855 6.083 -7.611 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.507 8.155 -10.389 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.314 9.678 -9.488 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.914 8.906 -9.599 1.00 0.00 H new ATOM 629 N TYR A 44 2.063 10.144 -6.793 1.00 0.00 N ATOM 630 CA TYR A 44 1.331 11.405 -6.781 1.00 0.00 C ATOM 631 C TYR A 44 1.852 12.327 -5.683 1.00 0.00 C ATOM 632 O TYR A 44 2.068 13.519 -5.907 1.00 0.00 O ATOM 633 CB TYR A 44 -0.164 11.149 -6.580 1.00 0.00 C ATOM 634 CG TYR A 44 -0.964 12.406 -6.325 1.00 0.00 C ATOM 635 CD1 TYR A 44 -0.743 13.557 -7.071 1.00 0.00 C ATOM 636 CD2 TYR A 44 -1.941 12.443 -5.338 1.00 0.00 C ATOM 637 CE1 TYR A 44 -1.472 14.708 -6.841 1.00 0.00 C ATOM 638 CE2 TYR A 44 -2.675 13.589 -5.102 1.00 0.00 C ATOM 639 CZ TYR A 44 -2.437 14.719 -5.856 1.00 0.00 C ATOM 640 OH TYR A 44 -3.166 15.863 -5.623 1.00 0.00 O ATOM 0 H TYR A 44 1.488 9.321 -6.614 1.00 0.00 H new ATOM 0 HA TYR A 44 1.484 11.893 -7.743 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.561 10.649 -7.464 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.298 10.467 -5.741 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.011 13.552 -7.844 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.130 11.560 -4.745 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.287 15.594 -7.430 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.431 13.600 -4.331 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.041 15.787 -6.058 1.00 0.00 H new ATOM 650 N LEU A 45 2.054 11.767 -4.495 1.00 0.00 N ATOM 651 CA LEU A 45 2.551 12.537 -3.360 1.00 0.00 C ATOM 652 C LEU A 45 3.869 13.222 -3.703 1.00 0.00 C ATOM 653 O LEU A 45 4.110 14.361 -3.304 1.00 0.00 O ATOM 654 CB LEU A 45 2.736 11.628 -2.144 1.00 0.00 C ATOM 655 CG LEU A 45 1.458 11.218 -1.411 1.00 0.00 C ATOM 656 CD1 LEU A 45 1.768 10.191 -0.333 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.775 12.437 -0.809 1.00 0.00 C ATOM 0 H LEU A 45 1.881 10.782 -4.293 1.00 0.00 H new ATOM 0 HA LEU A 45 1.815 13.305 -3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.252 10.724 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.392 12.133 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 45 0.777 10.764 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.847 9.911 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.213 9.307 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.467 10.618 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.133 12.127 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.449 12.920 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.518 13.139 -1.602 1.00 0.00 H new ATOM 669 N SER A 46 4.719 12.521 -4.447 1.00 0.00 N ATOM 670 CA SER A 46 6.014 13.062 -4.843 1.00 0.00 C ATOM 671 C SER A 46 5.843 14.232 -5.807 1.00 0.00 C ATOM 672 O SER A 46 6.559 15.229 -5.722 1.00 0.00 O ATOM 673 CB SER A 46 6.868 11.971 -5.493 1.00 0.00 C ATOM 674 OG SER A 46 8.249 12.263 -5.368 1.00 0.00 O ATOM 0 H SER A 46 4.534 11.577 -4.788 1.00 0.00 H new ATOM 0 HA SER A 46 6.519 13.424 -3.947 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.653 11.010 -5.026 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.606 11.879 -6.547 1.00 0.00 H new ATOM 0 HG SER A 46 8.773 11.550 -5.789 1.00 0.00 H new ATOM 680 N GLU A 47 4.889 14.101 -6.723 1.00 0.00 N ATOM 681 CA GLU A 47 4.624 15.147 -7.704 1.00 0.00 C ATOM 682 C GLU A 47 4.075 16.401 -7.028 1.00 0.00 C ATOM 683 O GLU A 47 4.151 17.499 -7.578 1.00 0.00 O ATOM 684 CB GLU A 47 3.634 14.649 -8.759 1.00 0.00 C ATOM 685 CG GLU A 47 4.298 13.961 -9.939 1.00 0.00 C ATOM 686 CD GLU A 47 4.791 14.942 -10.986 1.00 0.00 C ATOM 687 OE1 GLU A 47 5.863 15.545 -10.776 1.00 0.00 O ATOM 688 OE2 GLU A 47 4.102 15.105 -12.015 1.00 0.00 O ATOM 0 H GLU A 47 4.287 13.282 -6.806 1.00 0.00 H new ATOM 0 HA GLU A 47 5.566 15.400 -8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.935 13.956 -8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.049 15.493 -9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.138 13.365 -9.582 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.590 13.271 -10.398 1.00 0.00 H new ATOM 695 N ALA A 48 3.523 16.227 -5.832 1.00 0.00 N ATOM 696 CA ALA A 48 2.963 17.343 -5.080 1.00 0.00 C ATOM 697 C ALA A 48 4.063 18.256 -4.551 1.00 0.00 C ATOM 698 O ALA A 48 4.182 19.407 -4.969 1.00 0.00 O ATOM 699 CB ALA A 48 2.105 16.829 -3.933 1.00 0.00 C ATOM 0 H ALA A 48 3.452 15.324 -5.363 1.00 0.00 H new ATOM 0 HA ALA A 48 2.337 17.926 -5.756 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.693 17.673 -3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.290 16.224 -4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.716 16.221 -3.266 1.00 0.00 H new ATOM 705 N MET A 49 4.866 17.735 -3.629 1.00 0.00 N ATOM 706 CA MET A 49 5.958 18.504 -3.044 1.00 0.00 C ATOM 707 C MET A 49 6.876 19.057 -4.129 1.00 0.00 C ATOM 708 O MET A 49 7.521 20.089 -3.944 1.00 0.00 O ATOM 709 CB MET A 49 6.761 17.634 -2.074 1.00 0.00 C ATOM 710 CG MET A 49 7.238 16.326 -2.684 1.00 0.00 C ATOM 711 SD MET A 49 7.902 15.187 -1.454 1.00 0.00 S ATOM 712 CE MET A 49 6.521 15.073 -0.319 1.00 0.00 C ATOM 0 H MET A 49 4.781 16.784 -3.271 1.00 0.00 H new ATOM 0 HA MET A 49 5.526 19.342 -2.497 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.625 18.198 -1.723 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.146 17.415 -1.201 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.408 15.849 -3.205 1.00 0.00 H new ATOM 0 HG3 MET A 49 8.004 16.536 -3.430 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.488 14.073 0.114 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.641 15.809 0.476 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.592 15.267 -0.855 1.00 0.00 H new ATOM 722 N LYS A 50 6.930 18.365 -5.261 1.00 0.00 N ATOM 723 CA LYS A 50 7.768 18.786 -6.377 1.00 0.00 C ATOM 724 C LYS A 50 7.289 20.118 -6.945 1.00 0.00 C ATOM 725 O LYS A 50 8.053 20.845 -7.581 1.00 0.00 O ATOM 726 CB LYS A 50 7.764 17.721 -7.476 1.00 0.00 C ATOM 727 CG LYS A 50 8.814 16.641 -7.280 1.00 0.00 C ATOM 728 CD LYS A 50 8.710 15.561 -8.344 1.00 0.00 C ATOM 729 CE LYS A 50 9.717 14.446 -8.108 1.00 0.00 C ATOM 730 NZ LYS A 50 10.076 13.746 -9.372 1.00 0.00 N ATOM 0 H LYS A 50 6.402 17.509 -5.430 1.00 0.00 H new ATOM 0 HA LYS A 50 8.785 18.913 -6.006 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.779 17.256 -7.516 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.927 18.204 -8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.807 17.089 -7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.697 16.193 -6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.702 15.147 -8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.876 16.001 -9.327 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.617 14.860 -7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.304 13.728 -7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.764 12.993 -9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.221 13.329 -9.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.494 14.426 -10.039 1.00 0.00 H new ATOM 744 N LEU A 51 6.020 20.434 -6.710 1.00 0.00 N ATOM 745 CA LEU A 51 5.439 21.680 -7.197 1.00 0.00 C ATOM 746 C LEU A 51 5.385 22.726 -6.088 1.00 0.00 C ATOM 747 O LEU A 51 5.937 23.818 -6.222 1.00 0.00 O ATOM 748 CB LEU A 51 4.033 21.430 -7.746 1.00 0.00 C ATOM 749 CG LEU A 51 3.944 20.530 -8.979 1.00 0.00 C ATOM 750 CD1 LEU A 51 2.623 19.776 -8.995 1.00 0.00 C ATOM 751 CD2 LEU A 51 4.107 21.350 -10.250 1.00 0.00 C ATOM 0 H LEU A 51 5.374 19.844 -6.185 1.00 0.00 H new ATOM 0 HA LEU A 51 6.074 22.059 -7.998 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.429 20.988 -6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.584 22.393 -7.990 1.00 0.00 H new ATOM 0 HG LEU A 51 4.754 19.802 -8.933 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.577 19.141 -9.880 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.546 19.158 -8.100 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.798 20.488 -9.017 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.041 20.693 -11.118 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.318 22.101 -10.302 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.079 21.844 -10.242 1.00 0.00 H new ATOM 763 N THR A 52 4.719 22.383 -4.990 1.00 0.00 N ATOM 764 CA THR A 52 4.594 23.291 -3.857 1.00 0.00 C ATOM 765 C THR A 52 5.925 23.967 -3.545 1.00 0.00 C ATOM 766 O THR A 52 6.957 23.305 -3.437 1.00 0.00 O ATOM 767 CB THR A 52 4.099 22.554 -2.598 1.00 0.00 C ATOM 768 OG1 THR A 52 3.438 23.472 -1.721 1.00 0.00 O ATOM 769 CG2 THR A 52 5.257 21.891 -1.867 1.00 0.00 C ATOM 0 H THR A 52 4.258 21.482 -4.861 1.00 0.00 H new ATOM 0 HA THR A 52 3.861 24.048 -4.138 1.00 0.00 H new ATOM 0 HB THR A 52 3.397 21.781 -2.910 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.745 22.999 -1.214 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.882 21.377 -0.982 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.740 21.171 -2.528 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.980 22.650 -1.567 1.00 0.00 H new ATOM 777 N GLU A 53 5.892 25.288 -3.401 1.00 0.00 N ATOM 778 CA GLU A 53 7.097 26.053 -3.101 1.00 0.00 C ATOM 779 C GLU A 53 7.252 26.258 -1.597 1.00 0.00 C ATOM 780 O GLU A 53 8.365 26.392 -1.089 1.00 0.00 O ATOM 781 CB GLU A 53 7.058 27.408 -3.811 1.00 0.00 C ATOM 782 CG GLU A 53 6.378 28.499 -3.001 1.00 0.00 C ATOM 783 CD GLU A 53 6.516 29.869 -3.636 1.00 0.00 C ATOM 784 OE1 GLU A 53 7.593 30.484 -3.492 1.00 0.00 O ATOM 785 OE2 GLU A 53 5.547 30.325 -4.278 1.00 0.00 O ATOM 0 H GLU A 53 5.045 25.850 -3.487 1.00 0.00 H new ATOM 0 HA GLU A 53 7.955 25.486 -3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.077 27.719 -4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.538 27.296 -4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.321 28.259 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.806 28.522 -1.999 1.00 0.00 H new ATOM 792 N SER A 54 6.126 26.282 -0.890 1.00 0.00 N ATOM 793 CA SER A 54 6.135 26.475 0.555 1.00 0.00 C ATOM 794 C SER A 54 6.696 25.247 1.264 1.00 0.00 C ATOM 795 O SER A 54 6.300 24.117 0.978 1.00 0.00 O ATOM 796 CB SER A 54 4.721 26.768 1.060 1.00 0.00 C ATOM 797 OG SER A 54 4.235 27.992 0.537 1.00 0.00 O ATOM 0 H SER A 54 5.196 26.170 -1.295 1.00 0.00 H new ATOM 0 HA SER A 54 6.777 27.327 0.779 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.053 25.956 0.772 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.722 26.809 2.149 1.00 0.00 H new ATOM 0 HG SER A 54 3.329 28.155 0.874 1.00 0.00 H new ATOM 803 N GLU A 55 7.622 25.477 2.190 1.00 0.00 N ATOM 804 CA GLU A 55 8.239 24.389 2.940 1.00 0.00 C ATOM 805 C GLU A 55 7.209 23.676 3.811 1.00 0.00 C ATOM 806 O GLU A 55 7.007 22.469 3.687 1.00 0.00 O ATOM 807 CB GLU A 55 9.378 24.923 3.811 1.00 0.00 C ATOM 808 CG GLU A 55 10.387 23.860 4.212 1.00 0.00 C ATOM 809 CD GLU A 55 10.860 23.031 3.033 1.00 0.00 C ATOM 810 OE1 GLU A 55 11.142 23.621 1.969 1.00 0.00 O ATOM 811 OE2 GLU A 55 10.949 21.794 3.175 1.00 0.00 O ATOM 0 H GLU A 55 7.961 26.406 2.439 1.00 0.00 H new ATOM 0 HA GLU A 55 8.643 23.672 2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.894 25.717 3.272 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.957 25.370 4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.246 24.339 4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.940 23.203 4.958 1.00 0.00 H new ATOM 818 N GLN A 56 6.562 24.432 4.692 1.00 0.00 N ATOM 819 CA GLN A 56 5.555 23.872 5.585 1.00 0.00 C ATOM 820 C GLN A 56 4.710 22.827 4.864 1.00 0.00 C ATOM 821 O GLN A 56 4.284 21.839 5.462 1.00 0.00 O ATOM 822 CB GLN A 56 4.656 24.982 6.134 1.00 0.00 C ATOM 823 CG GLN A 56 5.284 25.764 7.276 1.00 0.00 C ATOM 824 CD GLN A 56 5.008 25.141 8.630 1.00 0.00 C ATOM 825 OE1 GLN A 56 3.864 24.831 8.963 1.00 0.00 O ATOM 826 NE2 GLN A 56 6.059 24.954 9.421 1.00 0.00 N ATOM 0 H GLN A 56 6.717 25.434 4.806 1.00 0.00 H new ATOM 0 HA GLN A 56 6.070 23.387 6.415 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.408 25.671 5.326 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.719 24.543 6.477 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.361 25.825 7.121 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.902 26.785 7.265 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.990 25.226 9.105 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.935 24.539 10.344 1.00 0.00 H new ATOM 835 N ALA A 57 4.470 23.052 3.576 1.00 0.00 N ATOM 836 CA ALA A 57 3.677 22.129 2.774 1.00 0.00 C ATOM 837 C ALA A 57 4.469 20.869 2.444 1.00 0.00 C ATOM 838 O ALA A 57 3.989 19.752 2.640 1.00 0.00 O ATOM 839 CB ALA A 57 3.207 22.810 1.497 1.00 0.00 C ATOM 0 H ALA A 57 4.814 23.866 3.066 1.00 0.00 H new ATOM 0 HA ALA A 57 2.805 21.835 3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.616 22.109 0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.596 23.677 1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.072 23.133 0.917 1.00 0.00 H new ATOM 845 N HIS A 58 5.686 21.055 1.941 1.00 0.00 N ATOM 846 CA HIS A 58 6.545 19.932 1.583 1.00 0.00 C ATOM 847 C HIS A 58 6.698 18.969 2.757 1.00 0.00 C ATOM 848 O HIS A 58 6.798 17.756 2.569 1.00 0.00 O ATOM 849 CB HIS A 58 7.919 20.435 1.139 1.00 0.00 C ATOM 850 CG HIS A 58 8.905 19.337 0.884 1.00 0.00 C ATOM 851 ND1 HIS A 58 9.357 18.487 1.871 1.00 0.00 N ATOM 852 CD2 HIS A 58 9.525 18.951 -0.256 1.00 0.00 C ATOM 853 CE1 HIS A 58 10.214 17.627 1.350 1.00 0.00 C ATOM 854 NE2 HIS A 58 10.333 17.886 0.061 1.00 0.00 N ATOM 0 H HIS A 58 6.099 21.972 1.772 1.00 0.00 H new ATOM 0 HA HIS A 58 6.077 19.398 0.756 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.804 21.027 0.231 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.318 21.100 1.905 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.407 19.397 -1.232 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.730 16.845 1.887 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.928 17.378 -0.593 1.00 0.00 H new ATOM 863 N LEU A 59 6.715 19.517 3.967 1.00 0.00 N ATOM 864 CA LEU A 59 6.856 18.707 5.172 1.00 0.00 C ATOM 865 C LEU A 59 5.615 17.851 5.400 1.00 0.00 C ATOM 866 O LEU A 59 5.711 16.635 5.568 1.00 0.00 O ATOM 867 CB LEU A 59 7.102 19.604 6.386 1.00 0.00 C ATOM 868 CG LEU A 59 8.563 19.945 6.684 1.00 0.00 C ATOM 869 CD1 LEU A 59 9.289 20.341 5.409 1.00 0.00 C ATOM 870 CD2 LEU A 59 8.650 21.058 7.718 1.00 0.00 C ATOM 0 H LEU A 59 6.633 20.519 4.140 1.00 0.00 H new ATOM 0 HA LEU A 59 7.711 18.045 5.038 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.555 20.535 6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.677 19.118 7.264 1.00 0.00 H new ATOM 0 HG LEU A 59 9.048 19.058 7.093 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.327 20.580 5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.257 19.514 4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.805 21.214 4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.697 21.288 7.918 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.149 21.948 7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.166 20.736 8.640 1.00 0.00 H new ATOM 882 N SER A 60 4.452 18.493 5.403 1.00 0.00 N ATOM 883 CA SER A 60 3.191 17.790 5.613 1.00 0.00 C ATOM 884 C SER A 60 3.054 16.619 4.644 1.00 0.00 C ATOM 885 O SER A 60 2.339 15.654 4.914 1.00 0.00 O ATOM 886 CB SER A 60 2.013 18.750 5.440 1.00 0.00 C ATOM 887 OG SER A 60 0.878 18.299 6.160 1.00 0.00 O ATOM 0 H SER A 60 4.356 19.499 5.262 1.00 0.00 H new ATOM 0 HA SER A 60 3.186 17.400 6.631 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.296 19.744 5.786 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.765 18.839 4.382 1.00 0.00 H new ATOM 0 HG SER A 60 0.139 18.930 6.035 1.00 0.00 H new ATOM 893 N LEU A 61 3.746 16.712 3.513 1.00 0.00 N ATOM 894 CA LEU A 61 3.703 15.662 2.502 1.00 0.00 C ATOM 895 C LEU A 61 4.787 14.618 2.753 1.00 0.00 C ATOM 896 O LEU A 61 4.492 13.442 2.961 1.00 0.00 O ATOM 897 CB LEU A 61 3.872 16.263 1.106 1.00 0.00 C ATOM 898 CG LEU A 61 2.921 17.405 0.747 1.00 0.00 C ATOM 899 CD1 LEU A 61 3.553 18.321 -0.289 1.00 0.00 C ATOM 900 CD2 LEU A 61 1.596 16.856 0.238 1.00 0.00 C ATOM 0 H LEU A 61 4.343 17.504 3.274 1.00 0.00 H new ATOM 0 HA LEU A 61 2.731 15.172 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.895 16.625 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.745 15.467 0.372 1.00 0.00 H new ATOM 0 HG LEU A 61 2.728 17.988 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.861 19.128 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.475 18.742 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.776 17.751 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.932 17.683 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.771 16.249 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.135 16.242 1.012 1.00 0.00 H new ATOM 912 N GLU A 62 6.041 15.059 2.735 1.00 0.00 N ATOM 913 CA GLU A 62 7.168 14.163 2.963 1.00 0.00 C ATOM 914 C GLU A 62 6.876 13.203 4.113 1.00 0.00 C ATOM 915 O GLU A 62 7.321 12.054 4.106 1.00 0.00 O ATOM 916 CB GLU A 62 8.435 14.967 3.265 1.00 0.00 C ATOM 917 CG GLU A 62 8.584 15.341 4.730 1.00 0.00 C ATOM 918 CD GLU A 62 9.936 15.952 5.041 1.00 0.00 C ATOM 919 OE1 GLU A 62 10.178 17.104 4.623 1.00 0.00 O ATOM 920 OE2 GLU A 62 10.753 15.278 5.704 1.00 0.00 O ATOM 0 H GLU A 62 6.302 16.030 2.565 1.00 0.00 H new ATOM 0 HA GLU A 62 7.324 13.579 2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.305 14.387 2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.429 15.877 2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.799 16.047 5.003 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.441 14.452 5.344 1.00 0.00 H new ATOM 927 N LEU A 63 6.127 13.682 5.100 1.00 0.00 N ATOM 928 CA LEU A 63 5.775 12.867 6.258 1.00 0.00 C ATOM 929 C LEU A 63 4.808 11.755 5.867 1.00 0.00 C ATOM 930 O LEU A 63 5.059 10.580 6.134 1.00 0.00 O ATOM 931 CB LEU A 63 5.153 13.740 7.349 1.00 0.00 C ATOM 932 CG LEU A 63 6.111 14.672 8.091 1.00 0.00 C ATOM 933 CD1 LEU A 63 5.336 15.694 8.908 1.00 0.00 C ATOM 934 CD2 LEU A 63 7.049 13.873 8.983 1.00 0.00 C ATOM 0 H LEU A 63 5.752 14.630 5.122 1.00 0.00 H new ATOM 0 HA LEU A 63 6.687 12.411 6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.366 14.345 6.898 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.674 13.088 8.079 1.00 0.00 H new ATOM 0 HG LEU A 63 6.711 15.206 7.354 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.035 16.349 9.429 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.707 16.288 8.245 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.710 15.178 9.636 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.724 14.553 9.503 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.466 13.311 9.713 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.630 13.182 8.373 1.00 0.00 H new ATOM 946 N GLN A 64 3.703 12.134 5.233 1.00 0.00 N ATOM 947 CA GLN A 64 2.699 11.167 4.804 1.00 0.00 C ATOM 948 C GLN A 64 3.290 10.172 3.811 1.00 0.00 C ATOM 949 O GLN A 64 2.962 8.986 3.836 1.00 0.00 O ATOM 950 CB GLN A 64 1.505 11.886 4.174 1.00 0.00 C ATOM 951 CG GLN A 64 0.201 11.111 4.284 1.00 0.00 C ATOM 952 CD GLN A 64 -0.133 10.731 5.713 1.00 0.00 C ATOM 953 OE1 GLN A 64 0.417 9.773 6.258 1.00 0.00 O ATOM 954 NE2 GLN A 64 -1.038 11.481 6.330 1.00 0.00 N ATOM 0 H GLN A 64 3.480 13.103 5.005 1.00 0.00 H new ATOM 0 HA GLN A 64 2.361 10.618 5.683 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.382 12.857 4.653 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.719 12.074 3.122 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.610 11.712 3.873 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.267 10.208 3.678 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.469 12.266 5.841 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.302 11.273 7.293 1.00 0.00 H new ATOM 963 N ARG A 65 4.163 10.663 2.938 1.00 0.00 N ATOM 964 CA ARG A 65 4.799 9.817 1.935 1.00 0.00 C ATOM 965 C ARG A 65 5.573 8.680 2.595 1.00 0.00 C ATOM 966 O ARG A 65 5.661 7.578 2.052 1.00 0.00 O ATOM 967 CB ARG A 65 5.739 10.647 1.058 1.00 0.00 C ATOM 968 CG ARG A 65 6.203 9.922 -0.194 1.00 0.00 C ATOM 969 CD ARG A 65 6.761 10.891 -1.225 1.00 0.00 C ATOM 970 NE ARG A 65 8.158 11.225 -0.962 1.00 0.00 N ATOM 971 CZ ARG A 65 9.157 10.357 -1.086 1.00 0.00 C ATOM 972 NH1 ARG A 65 8.913 9.111 -1.467 1.00 0.00 N ATOM 973 NH2 ARG A 65 10.402 10.736 -0.830 1.00 0.00 N ATOM 0 H ARG A 65 4.446 11.642 2.905 1.00 0.00 H new ATOM 0 HA ARG A 65 4.017 9.386 1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.233 11.568 0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.611 10.934 1.645 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.967 9.190 0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.369 9.370 -0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.674 10.452 -2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.164 11.803 -1.226 1.00 0.00 H new ATOM 0 HE ARG A 65 8.379 12.176 -0.667 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.957 8.816 -1.666 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.681 8.447 -1.561 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.593 11.694 -0.538 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.168 10.069 -0.925 1.00 0.00 H new ATOM 987 N ASP A 66 6.133 8.955 3.768 1.00 0.00 N ATOM 988 CA ASP A 66 6.900 7.955 4.502 1.00 0.00 C ATOM 989 C ASP A 66 6.053 6.717 4.778 1.00 0.00 C ATOM 990 O ASP A 66 6.283 5.654 4.202 1.00 0.00 O ATOM 991 CB ASP A 66 7.414 8.541 5.818 1.00 0.00 C ATOM 992 CG ASP A 66 8.192 7.530 6.637 1.00 0.00 C ATOM 993 OD1 ASP A 66 7.963 6.316 6.455 1.00 0.00 O ATOM 994 OD2 ASP A 66 9.032 7.953 7.459 1.00 0.00 O ATOM 0 H ASP A 66 6.070 9.862 4.231 1.00 0.00 H new ATOM 0 HA ASP A 66 7.751 7.661 3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.051 9.400 5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.571 8.907 6.404 1.00 0.00 H new ATOM 999 N SER A 67 5.074 6.861 5.665 1.00 0.00 N ATOM 1000 CA SER A 67 4.195 5.753 6.022 1.00 0.00 C ATOM 1001 C SER A 67 3.635 5.080 4.773 1.00 0.00 C ATOM 1002 O SER A 67 3.278 3.902 4.795 1.00 0.00 O ATOM 1003 CB SER A 67 3.049 6.247 6.906 1.00 0.00 C ATOM 1004 OG SER A 67 2.317 7.276 6.264 1.00 0.00 O ATOM 0 H SER A 67 4.869 7.735 6.150 1.00 0.00 H new ATOM 0 HA SER A 67 4.782 5.021 6.576 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.384 5.416 7.142 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.447 6.615 7.851 1.00 0.00 H new ATOM 0 HG SER A 67 2.785 7.550 5.448 1.00 0.00 H new ATOM 1010 N HIS A 68 3.562 5.837 3.683 1.00 0.00 N ATOM 1011 CA HIS A 68 3.045 5.315 2.422 1.00 0.00 C ATOM 1012 C HIS A 68 4.004 4.288 1.827 1.00 0.00 C ATOM 1013 O HIS A 68 3.580 3.340 1.166 1.00 0.00 O ATOM 1014 CB HIS A 68 2.818 6.454 1.428 1.00 0.00 C ATOM 1015 CG HIS A 68 1.445 7.049 1.502 1.00 0.00 C ATOM 1016 ND1 HIS A 68 0.298 6.326 1.254 1.00 0.00 N ATOM 1017 CD2 HIS A 68 1.040 8.305 1.800 1.00 0.00 C ATOM 1018 CE1 HIS A 68 -0.754 7.112 1.395 1.00 0.00 C ATOM 1019 NE2 HIS A 68 -0.332 8.318 1.726 1.00 0.00 N ATOM 0 H HIS A 68 3.854 6.814 3.647 1.00 0.00 H new ATOM 0 HA HIS A 68 2.093 4.824 2.623 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.554 7.237 1.610 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.990 6.083 0.418 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.676 9.141 2.049 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.785 6.818 1.262 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.927 9.128 1.899 1.00 0.00 H new ATOM 1028 N MET A 69 5.297 4.485 2.064 1.00 0.00 N ATOM 1029 CA MET A 69 6.314 3.575 1.551 1.00 0.00 C ATOM 1030 C MET A 69 6.721 2.559 2.613 1.00 0.00 C ATOM 1031 O MET A 69 7.119 1.438 2.295 1.00 0.00 O ATOM 1032 CB MET A 69 7.541 4.360 1.083 1.00 0.00 C ATOM 1033 CG MET A 69 7.399 4.932 -0.318 1.00 0.00 C ATOM 1034 SD MET A 69 7.207 3.652 -1.574 1.00 0.00 S ATOM 1035 CE MET A 69 8.600 2.592 -1.194 1.00 0.00 C ATOM 0 H MET A 69 5.665 5.266 2.607 1.00 0.00 H new ATOM 0 HA MET A 69 5.890 3.037 0.703 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.729 5.175 1.782 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.413 3.707 1.113 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.537 5.598 -0.349 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.276 5.535 -0.551 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.902 2.053 -2.092 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.432 3.199 -0.837 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.314 1.878 -0.421 1.00 0.00 H new ATOM 1045 N LYS A 70 6.619 2.958 3.877 1.00 0.00 N ATOM 1046 CA LYS A 70 6.975 2.083 4.987 1.00 0.00 C ATOM 1047 C LYS A 70 6.155 0.797 4.951 1.00 0.00 C ATOM 1048 O LYS A 70 6.631 -0.264 5.354 1.00 0.00 O ATOM 1049 CB LYS A 70 6.757 2.802 6.320 1.00 0.00 C ATOM 1050 CG LYS A 70 5.377 2.577 6.914 1.00 0.00 C ATOM 1051 CD LYS A 70 5.268 3.167 8.310 1.00 0.00 C ATOM 1052 CE LYS A 70 6.065 2.358 9.321 1.00 0.00 C ATOM 1053 NZ LYS A 70 7.465 2.849 9.444 1.00 0.00 N ATOM 0 H LYS A 70 6.292 3.883 4.158 1.00 0.00 H new ATOM 0 HA LYS A 70 8.029 1.824 4.889 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.510 2.464 7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.911 3.871 6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.624 3.028 6.268 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.166 1.508 6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.628 4.196 8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.221 3.199 8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.576 2.409 10.294 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.073 1.310 9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.113 2.165 9.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.554 3.768 8.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.708 2.957 10.449 1.00 0.00 H new ATOM 1067 N GLN A 71 4.922 0.900 4.465 1.00 0.00 N ATOM 1068 CA GLN A 71 4.037 -0.255 4.375 1.00 0.00 C ATOM 1069 C GLN A 71 4.389 -1.118 3.168 1.00 0.00 C ATOM 1070 O GLN A 71 4.202 -2.336 3.186 1.00 0.00 O ATOM 1071 CB GLN A 71 2.579 0.198 4.286 1.00 0.00 C ATOM 1072 CG GLN A 71 1.923 0.405 5.641 1.00 0.00 C ATOM 1073 CD GLN A 71 1.865 -0.868 6.463 1.00 0.00 C ATOM 1074 OE1 GLN A 71 1.027 -1.738 6.222 1.00 0.00 O ATOM 1075 NE2 GLN A 71 2.757 -0.984 7.439 1.00 0.00 N ATOM 0 H GLN A 71 4.513 1.772 4.128 1.00 0.00 H new ATOM 0 HA GLN A 71 4.169 -0.853 5.277 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.530 1.129 3.722 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.010 -0.544 3.726 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.474 1.165 6.195 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.912 0.786 5.496 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.433 -0.238 7.603 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.766 -1.819 8.025 1.00 0.00 H new ATOM 1084 N LEU A 72 4.899 -0.481 2.120 1.00 0.00 N ATOM 1085 CA LEU A 72 5.276 -1.190 0.902 1.00 0.00 C ATOM 1086 C LEU A 72 6.429 -2.153 1.168 1.00 0.00 C ATOM 1087 O LEU A 72 6.351 -3.338 0.842 1.00 0.00 O ATOM 1088 CB LEU A 72 5.670 -0.194 -0.190 1.00 0.00 C ATOM 1089 CG LEU A 72 6.138 -0.800 -1.514 1.00 0.00 C ATOM 1090 CD1 LEU A 72 5.287 -2.007 -1.879 1.00 0.00 C ATOM 1091 CD2 LEU A 72 6.094 0.241 -2.622 1.00 0.00 C ATOM 0 H LEU A 72 5.061 0.526 2.089 1.00 0.00 H new ATOM 0 HA LEU A 72 4.415 -1.767 0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.815 0.451 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.466 0.443 0.197 1.00 0.00 H new ATOM 0 HG LEU A 72 7.170 -1.131 -1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.635 -2.425 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.370 -2.761 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.246 -1.701 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.430 -0.208 -3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.073 0.603 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.747 1.075 -2.364 1.00 0.00 H new ATOM 1103 N LEU A 73 7.498 -1.637 1.765 1.00 0.00 N ATOM 1104 CA LEU A 73 8.668 -2.451 2.077 1.00 0.00 C ATOM 1105 C LEU A 73 8.290 -3.623 2.978 1.00 0.00 C ATOM 1106 O LEU A 73 8.910 -4.686 2.924 1.00 0.00 O ATOM 1107 CB LEU A 73 9.741 -1.598 2.755 1.00 0.00 C ATOM 1108 CG LEU A 73 9.959 -0.203 2.169 1.00 0.00 C ATOM 1109 CD1 LEU A 73 11.085 0.513 2.899 1.00 0.00 C ATOM 1110 CD2 LEU A 73 10.257 -0.290 0.680 1.00 0.00 C ATOM 0 H LEU A 73 7.579 -0.659 2.043 1.00 0.00 H new ATOM 0 HA LEU A 73 9.065 -2.847 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.480 -1.491 3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.686 -2.139 2.714 1.00 0.00 H new ATOM 0 HG LEU A 73 9.043 0.373 2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.226 1.504 2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.831 0.609 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.006 -0.060 2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.409 0.713 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.158 -0.884 0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.418 -0.761 0.168 1.00 0.00 H new ATOM 1122 N LEU A 74 7.267 -3.424 3.802 1.00 0.00 N ATOM 1123 CA LEU A 74 6.805 -4.465 4.713 1.00 0.00 C ATOM 1124 C LEU A 74 5.986 -5.515 3.968 1.00 0.00 C ATOM 1125 O LEU A 74 6.366 -6.685 3.910 1.00 0.00 O ATOM 1126 CB LEU A 74 5.967 -3.852 5.836 1.00 0.00 C ATOM 1127 CG LEU A 74 6.748 -3.289 7.025 1.00 0.00 C ATOM 1128 CD1 LEU A 74 5.848 -2.422 7.892 1.00 0.00 C ATOM 1129 CD2 LEU A 74 7.357 -4.417 7.845 1.00 0.00 C ATOM 0 H LEU A 74 6.742 -2.551 3.858 1.00 0.00 H new ATOM 0 HA LEU A 74 7.680 -4.951 5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.360 -3.051 5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.279 -4.612 6.206 1.00 0.00 H new ATOM 0 HG LEU A 74 7.557 -2.667 6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.420 -2.030 8.733 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.460 -1.593 7.299 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.017 -3.020 8.266 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.909 -3.998 8.687 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.564 -5.065 8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.035 -4.997 7.219 1.00 0.00 H new ATOM 1141 N ILE A 75 4.864 -5.089 3.399 1.00 0.00 N ATOM 1142 CA ILE A 75 3.994 -5.992 2.655 1.00 0.00 C ATOM 1143 C ILE A 75 4.795 -6.847 1.679 1.00 0.00 C ATOM 1144 O ILE A 75 4.453 -8.001 1.425 1.00 0.00 O ATOM 1145 CB ILE A 75 2.914 -5.219 1.877 1.00 0.00 C ATOM 1146 CG1 ILE A 75 1.945 -4.538 2.845 1.00 0.00 C ATOM 1147 CG2 ILE A 75 2.165 -6.154 0.940 1.00 0.00 C ATOM 1148 CD1 ILE A 75 0.897 -3.692 2.157 1.00 0.00 C ATOM 0 H ILE A 75 4.536 -4.124 3.439 1.00 0.00 H new ATOM 0 HA ILE A 75 3.510 -6.638 3.387 1.00 0.00 H new ATOM 0 HB ILE A 75 3.400 -4.449 1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.448 -5.300 3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.512 -3.911 3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.405 -5.593 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.865 -6.596 0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.688 -6.944 1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.245 -3.240 2.905 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.385 -2.907 1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.304 -4.318 1.490 1.00 0.00 H new ATOM 1160 N GLN A 76 5.863 -6.271 1.136 1.00 0.00 N ATOM 1161 CA GLN A 76 6.714 -6.981 0.188 1.00 0.00 C ATOM 1162 C GLN A 76 7.337 -8.214 0.834 1.00 0.00 C ATOM 1163 O GLN A 76 7.076 -9.343 0.420 1.00 0.00 O ATOM 1164 CB GLN A 76 7.812 -6.055 -0.337 1.00 0.00 C ATOM 1165 CG GLN A 76 7.358 -5.160 -1.479 1.00 0.00 C ATOM 1166 CD GLN A 76 8.518 -4.608 -2.283 1.00 0.00 C ATOM 1167 OE1 GLN A 76 9.488 -5.313 -2.562 1.00 0.00 O ATOM 1168 NE2 GLN A 76 8.425 -3.338 -2.662 1.00 0.00 N ATOM 0 H GLN A 76 6.159 -5.316 1.336 1.00 0.00 H new ATOM 0 HA GLN A 76 6.093 -7.306 -0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.172 -5.431 0.481 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.655 -6.659 -0.673 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.700 -5.725 -2.139 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.773 -4.333 -1.077 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.603 -2.789 -2.409 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.175 -2.912 -3.206 1.00 0.00 H new ATOM 1177 N GLU A 77 8.164 -7.989 1.851 1.00 0.00 N ATOM 1178 CA GLU A 77 8.826 -9.083 2.553 1.00 0.00 C ATOM 1179 C GLU A 77 7.804 -10.077 3.098 1.00 0.00 C ATOM 1180 O GLU A 77 8.039 -11.285 3.103 1.00 0.00 O ATOM 1181 CB GLU A 77 9.684 -8.539 3.696 1.00 0.00 C ATOM 1182 CG GLU A 77 8.877 -7.897 4.812 1.00 0.00 C ATOM 1183 CD GLU A 77 9.703 -7.640 6.057 1.00 0.00 C ATOM 1184 OE1 GLU A 77 10.435 -8.558 6.482 1.00 0.00 O ATOM 1185 OE2 GLU A 77 9.617 -6.523 6.607 1.00 0.00 O ATOM 0 H GLU A 77 8.391 -7.060 2.207 1.00 0.00 H new ATOM 0 HA GLU A 77 9.468 -9.602 1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.279 -9.353 4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.383 -7.805 3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.459 -6.955 4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.037 -8.543 5.065 1.00 0.00 H new ATOM 1192 N ARG A 78 6.669 -9.559 3.556 1.00 0.00 N ATOM 1193 CA ARG A 78 5.612 -10.400 4.105 1.00 0.00 C ATOM 1194 C ARG A 78 5.064 -11.347 3.042 1.00 0.00 C ATOM 1195 O ARG A 78 4.802 -12.518 3.316 1.00 0.00 O ATOM 1196 CB ARG A 78 4.481 -9.534 4.664 1.00 0.00 C ATOM 1197 CG ARG A 78 4.826 -8.857 5.980 1.00 0.00 C ATOM 1198 CD ARG A 78 4.804 -9.844 7.137 1.00 0.00 C ATOM 1199 NE ARG A 78 4.937 -9.177 8.429 1.00 0.00 N ATOM 1200 CZ ARG A 78 4.583 -9.731 9.583 1.00 0.00 C ATOM 1201 NH1 ARG A 78 4.076 -10.956 9.606 1.00 0.00 N ATOM 1202 NH2 ARG A 78 4.735 -9.060 10.717 1.00 0.00 N ATOM 0 H ARG A 78 6.458 -8.561 3.558 1.00 0.00 H new ATOM 0 HA ARG A 78 6.038 -10.995 4.913 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.222 -8.771 3.930 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.596 -10.154 4.805 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.813 -8.401 5.908 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.117 -8.052 6.173 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.871 -10.408 7.115 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.614 -10.563 7.015 1.00 0.00 H new ATOM 0 HE ARG A 78 5.323 -8.233 8.446 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.957 -11.475 8.736 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.805 -11.379 10.494 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.124 -8.117 10.704 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.463 -9.487 11.603 1.00 0.00 H new ATOM 1216 N TRP A 79 4.893 -10.832 1.830 1.00 0.00 N ATOM 1217 CA TRP A 79 4.375 -11.632 0.726 1.00 0.00 C ATOM 1218 C TRP A 79 5.334 -12.766 0.378 1.00 0.00 C ATOM 1219 O TRP A 79 4.933 -13.926 0.289 1.00 0.00 O ATOM 1220 CB TRP A 79 4.140 -10.752 -0.503 1.00 0.00 C ATOM 1221 CG TRP A 79 3.428 -11.461 -1.615 1.00 0.00 C ATOM 1222 CD1 TRP A 79 2.621 -12.557 -1.503 1.00 0.00 C ATOM 1223 CD2 TRP A 79 3.460 -11.124 -3.006 1.00 0.00 C ATOM 1224 NE1 TRP A 79 2.149 -12.922 -2.741 1.00 0.00 N ATOM 1225 CE2 TRP A 79 2.649 -12.058 -3.679 1.00 0.00 C ATOM 1226 CE3 TRP A 79 4.093 -10.124 -3.748 1.00 0.00 C ATOM 1227 CZ2 TRP A 79 2.457 -12.020 -5.058 1.00 0.00 C ATOM 1228 CZ3 TRP A 79 3.902 -10.087 -5.116 1.00 0.00 C ATOM 1229 CH2 TRP A 79 3.089 -11.029 -5.759 1.00 0.00 C ATOM 0 H TRP A 79 5.105 -9.864 1.587 1.00 0.00 H new ATOM 0 HA TRP A 79 3.426 -12.067 1.040 1.00 0.00 H new ATOM 0 HB2 TRP A 79 3.559 -9.878 -0.209 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.100 -10.389 -0.870 1.00 0.00 H new ATOM 0 HD1 TRP A 79 2.388 -13.063 -0.578 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.528 -13.708 -2.931 1.00 0.00 H new ATOM 0 HE3 TRP A 79 4.721 -9.393 -3.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.832 -12.746 -5.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.388 -9.319 -5.699 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.958 -10.972 -6.830 1.00 0.00 H new ATOM 1240 N LYS A 80 6.603 -12.423 0.184 1.00 0.00 N ATOM 1241 CA LYS A 80 7.620 -13.412 -0.152 1.00 0.00 C ATOM 1242 C LYS A 80 7.507 -14.637 0.750 1.00 0.00 C ATOM 1243 O LYS A 80 7.484 -15.771 0.273 1.00 0.00 O ATOM 1244 CB LYS A 80 9.017 -12.800 -0.027 1.00 0.00 C ATOM 1245 CG LYS A 80 9.196 -11.524 -0.830 1.00 0.00 C ATOM 1246 CD LYS A 80 10.661 -11.135 -0.941 1.00 0.00 C ATOM 1247 CE LYS A 80 10.827 -9.636 -1.135 1.00 0.00 C ATOM 1248 NZ LYS A 80 10.464 -9.211 -2.515 1.00 0.00 N ATOM 0 H LYS A 80 6.952 -11.467 0.254 1.00 0.00 H new ATOM 0 HA LYS A 80 7.459 -13.726 -1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.220 -12.590 1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.756 -13.532 -0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.778 -11.659 -1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.639 -10.715 -0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.191 -11.447 -0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.116 -11.664 -1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.203 -9.106 -0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.860 -9.355 -0.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.591 -8.183 -2.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.076 -9.698 -3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.471 -9.455 -2.704 1.00 0.00 H new ATOM 1262 N ARG A 81 7.435 -14.399 2.056 1.00 0.00 N ATOM 1263 CA ARG A 81 7.325 -15.483 3.025 1.00 0.00 C ATOM 1264 C ARG A 81 6.117 -16.364 2.719 1.00 0.00 C ATOM 1265 O ARG A 81 6.222 -17.590 2.686 1.00 0.00 O ATOM 1266 CB ARG A 81 7.213 -14.920 4.442 1.00 0.00 C ATOM 1267 CG ARG A 81 8.547 -14.504 5.040 1.00 0.00 C ATOM 1268 CD ARG A 81 8.476 -14.418 6.556 1.00 0.00 C ATOM 1269 NE ARG A 81 9.801 -14.463 7.170 1.00 0.00 N ATOM 1270 CZ ARG A 81 10.615 -13.416 7.237 1.00 0.00 C ATOM 1271 NH1 ARG A 81 10.243 -12.249 6.731 1.00 0.00 N ATOM 1272 NH2 ARG A 81 11.805 -13.536 7.811 1.00 0.00 N ATOM 0 H ARG A 81 7.451 -13.466 2.467 1.00 0.00 H new ATOM 0 HA ARG A 81 8.226 -16.093 2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.546 -14.058 4.430 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.754 -15.670 5.086 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.316 -15.221 4.751 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.843 -13.537 4.633 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.975 -13.494 6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.871 -15.241 6.938 1.00 0.00 H new ATOM 0 HE ARG A 81 10.118 -15.347 7.569 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.329 -12.153 6.288 1.00 0.00 H new ATOM 0 HH12 ARG A 81 10.871 -11.447 6.784 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.095 -14.433 8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.430 -12.732 7.862 1.00 0.00 H new