USER MOD reduce.3.24.130724 H: found=0, std=0, add=1013, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1011 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 21 THR OG1 : rot 139:sc= -0.18 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 160:sc= 0.97 (180deg=-0.178) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.46 K(o=-1.5,f=-8.4!) USER MOD Single : A 13 ASN :FLIP amide:sc= -2.83! C(o=-4.5!,f=-2.8!) USER MOD Single : A 15 ASN : amide:sc=-0.00603 X(o=-0.006,f=0) USER MOD Single : A 16 ASN : amide:sc= -7.35! C(o=-7.4!,f=-9.8!) USER MOD Single : A 28 HIS : no HD1:sc= -0.0299 K(o=-0.03,f=-0.63) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -3.59! C(o=-3.6!,f=-8.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -111:sc= -3.13! (180deg=-5.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.191 K(o=-0.19,f=-0.78) USER MOD Single : A 61 THR OG1 : rot 18:sc= 0.295 USER MOD Single : A 63 GLN :FLIP amide:sc= -4.89! F(o=-6.5,f=-4.9!) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 66 SER OG : rot 62:sc= 0.582 USER MOD Single : A 70 LYS NZ :NH3+ -103:sc= 0 (180deg=-1.08) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.496 F(o=-2.5,f=-0.5) USER MOD Single : A 81 THR OG1 : rot -91:sc= -1.07! USER MOD Single : A 97 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.18) USER MOD Single : A 100 GLN : amide:sc= -3.85! C(o=-3.8!,f=-7.4!) USER MOD Single : A 105 MET CE :methyl -122:sc= -4.53 (180deg=-8.99!) USER MOD Single : A 106 SER OG : rot -89:sc= 0.119 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 119 ASN :FLIP amide:sc= -0.357 F(o=-2.4,f=-0.36) USER MOD Single : A 125 LYS NZ :NH3+ -116:sc= 0.168 (180deg=-0.00275) USER MOD Single : A 127 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.103) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 14.703 11.655 3.763 1.00 0.00 N ATOM 43 CA LYS A 3 13.508 11.146 3.038 1.00 0.00 C ATOM 44 C LYS A 3 13.442 9.616 3.127 1.00 0.00 C ATOM 45 O LYS A 3 14.431 8.946 3.352 1.00 0.00 O ATOM 46 CB LYS A 3 13.594 11.627 1.572 1.00 0.00 C ATOM 47 CG LYS A 3 13.571 10.454 0.571 1.00 0.00 C ATOM 48 CD LYS A 3 14.984 9.883 0.429 1.00 0.00 C ATOM 49 CE LYS A 3 14.915 8.361 0.286 1.00 0.00 C ATOM 50 NZ LYS A 3 16.279 7.829 0.005 1.00 0.00 N ATOM 0 HA LYS A 3 12.594 11.531 3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 3 12.761 12.298 1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 3 14.509 12.203 1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 3 12.886 9.679 0.916 1.00 0.00 H new ATOM 0 HG3 LYS A 3 13.205 10.794 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 3 15.476 10.317 -0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 3 15.583 10.149 1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 3 14.520 7.916 1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 3 14.234 8.091 -0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 16.235 6.795 -0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 16.639 8.245 -0.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 16.916 8.076 0.789 1.00 0.00 H new ATOM 64 N LEU A 4 12.274 9.070 2.928 1.00 0.00 N ATOM 65 CA LEU A 4 12.105 7.591 2.972 1.00 0.00 C ATOM 66 C LEU A 4 11.225 7.165 1.800 1.00 0.00 C ATOM 67 O LEU A 4 10.871 7.964 0.958 1.00 0.00 O ATOM 68 CB LEU A 4 11.406 7.181 4.273 1.00 0.00 C ATOM 69 CG LEU A 4 9.940 7.606 4.227 1.00 0.00 C ATOM 70 CD1 LEU A 4 9.053 6.363 4.296 1.00 0.00 C ATOM 71 CD2 LEU A 4 9.662 8.531 5.402 1.00 0.00 C ATOM 0 H LEU A 4 11.420 9.593 2.735 1.00 0.00 H new ATOM 0 HA LEU A 4 13.084 7.115 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.477 6.102 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.902 7.645 5.125 1.00 0.00 H new ATOM 0 HG LEU A 4 9.724 8.135 3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.005 6.661 4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.271 5.713 3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.249 5.827 5.225 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.618 8.842 5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.865 8.005 6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.304 9.409 5.333 1.00 0.00 H new ATOM 83 N GLN A 5 10.836 5.925 1.769 1.00 0.00 N ATOM 84 CA GLN A 5 9.937 5.448 0.687 1.00 0.00 C ATOM 85 C GLN A 5 8.985 4.424 1.282 1.00 0.00 C ATOM 86 O GLN A 5 9.056 4.110 2.452 1.00 0.00 O ATOM 87 CB GLN A 5 10.734 4.818 -0.451 1.00 0.00 C ATOM 88 CG GLN A 5 11.733 5.845 -0.987 1.00 0.00 C ATOM 89 CD GLN A 5 13.124 5.556 -0.419 1.00 0.00 C ATOM 90 OE1 GLN A 5 13.322 5.573 0.780 1.00 0.00 O ATOM 91 NE2 GLN A 5 14.104 5.291 -1.238 1.00 0.00 N ATOM 0 H GLN A 5 11.104 5.216 2.452 1.00 0.00 H new ATOM 0 HA GLN A 5 9.384 6.292 0.275 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.259 3.931 -0.097 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.063 4.495 -1.247 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.759 5.807 -2.076 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.419 6.851 -0.710 1.00 0.00 H new ATOM 0 HE21 GLN A 5 13.938 5.277 -2.244 1.00 0.00 H new ATOM 0 HE22 GLN A 5 15.036 5.098 -0.872 1.00 0.00 H new ATOM 100 N ILE A 6 8.085 3.911 0.505 1.00 0.00 N ATOM 101 CA ILE A 6 7.123 2.933 1.063 1.00 0.00 C ATOM 102 C ILE A 6 6.780 1.885 0.004 1.00 0.00 C ATOM 103 O ILE A 6 6.114 2.165 -0.972 1.00 0.00 O ATOM 104 CB ILE A 6 5.881 3.716 1.504 1.00 0.00 C ATOM 105 CG1 ILE A 6 6.104 4.208 2.950 1.00 0.00 C ATOM 106 CG2 ILE A 6 4.623 2.844 1.415 1.00 0.00 C ATOM 107 CD1 ILE A 6 5.188 3.473 3.942 1.00 0.00 C ATOM 0 H ILE A 6 7.973 4.124 -0.486 1.00 0.00 H new ATOM 0 HA ILE A 6 7.544 2.402 1.917 1.00 0.00 H new ATOM 0 HB ILE A 6 5.731 4.569 0.842 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.146 4.053 3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.915 5.280 3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.756 3.423 1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.481 2.514 0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.736 1.975 2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.372 3.844 4.950 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.146 3.649 3.674 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.396 2.404 3.906 1.00 0.00 H new ATOM 119 N ALA A 7 7.240 0.678 0.199 1.00 0.00 N ATOM 120 CA ALA A 7 6.951 -0.404 -0.780 1.00 0.00 C ATOM 121 C ALA A 7 5.576 -0.983 -0.478 1.00 0.00 C ATOM 122 O ALA A 7 5.446 -2.118 -0.061 1.00 0.00 O ATOM 123 CB ALA A 7 8.002 -1.508 -0.652 1.00 0.00 C ATOM 0 H ALA A 7 7.806 0.396 0.999 1.00 0.00 H new ATOM 0 HA ALA A 7 6.975 -0.001 -1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.788 -2.299 -1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.990 -1.094 -0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.978 -1.918 0.358 1.00 0.00 H new ATOM 129 N VAL A 8 4.544 -0.215 -0.674 1.00 0.00 N ATOM 130 CA VAL A 8 3.182 -0.735 -0.382 1.00 0.00 C ATOM 131 C VAL A 8 2.726 -1.631 -1.528 1.00 0.00 C ATOM 132 O VAL A 8 2.675 -2.835 -1.395 1.00 0.00 O ATOM 133 CB VAL A 8 2.190 0.426 -0.180 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.493 1.566 -1.162 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.752 -0.078 -0.396 1.00 0.00 C ATOM 0 H VAL A 8 4.583 0.743 -1.021 1.00 0.00 H new ATOM 0 HA VAL A 8 3.213 -1.317 0.539 1.00 0.00 H new ATOM 0 HB VAL A 8 2.294 0.804 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.783 2.379 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.506 1.932 -0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.405 1.198 -2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.052 0.745 -0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.651 -0.467 -1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.532 -0.870 0.320 1.00 0.00 H new ATOM 145 N GLY A 9 2.381 -1.075 -2.645 1.00 0.00 N ATOM 146 CA GLY A 9 1.920 -1.940 -3.747 1.00 0.00 C ATOM 147 C GLY A 9 0.657 -2.647 -3.290 1.00 0.00 C ATOM 148 O GLY A 9 0.680 -3.778 -2.847 1.00 0.00 O ATOM 0 H GLY A 9 2.398 -0.074 -2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.723 -1.347 -4.640 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.690 -2.666 -4.009 1.00 0.00 H new ATOM 152 N ILE A 10 -0.445 -1.968 -3.384 1.00 0.00 N ATOM 153 CA ILE A 10 -1.730 -2.578 -2.944 1.00 0.00 C ATOM 154 C ILE A 10 -1.816 -3.967 -3.554 1.00 0.00 C ATOM 155 O ILE A 10 -0.985 -4.355 -4.351 1.00 0.00 O ATOM 156 CB ILE A 10 -2.942 -1.737 -3.383 1.00 0.00 C ATOM 157 CG1 ILE A 10 -2.510 -0.305 -3.718 1.00 0.00 C ATOM 158 CG2 ILE A 10 -3.963 -1.692 -2.237 1.00 0.00 C ATOM 159 CD1 ILE A 10 -3.739 0.519 -4.104 1.00 0.00 C ATOM 0 H ILE A 10 -0.515 -1.017 -3.746 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.751 -2.625 -1.855 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.383 -2.192 -4.270 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.011 0.146 -2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.791 -0.312 -4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.825 -1.098 -2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.287 -2.705 -1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.503 -1.241 -1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.434 1.538 -4.343 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.219 0.071 -4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.442 0.537 -3.271 1.00 0.00 H new ATOM 171 N ILE A 11 -2.789 -4.734 -3.181 1.00 0.00 N ATOM 172 CA ILE A 11 -2.875 -6.103 -3.737 1.00 0.00 C ATOM 173 C ILE A 11 -4.326 -6.428 -4.118 1.00 0.00 C ATOM 174 O ILE A 11 -5.038 -7.087 -3.396 1.00 0.00 O ATOM 175 CB ILE A 11 -2.345 -7.081 -2.679 1.00 0.00 C ATOM 176 CG1 ILE A 11 -2.726 -6.590 -1.277 1.00 0.00 C ATOM 177 CG2 ILE A 11 -0.816 -7.145 -2.774 1.00 0.00 C ATOM 178 CD1 ILE A 11 -1.992 -7.426 -0.226 1.00 0.00 C ATOM 0 H ILE A 11 -3.523 -4.477 -2.521 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.274 -6.187 -4.642 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.779 -8.065 -2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.466 -5.537 -1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.803 -6.669 -1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.434 -7.838 -2.025 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.527 -7.489 -3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.399 -6.154 -2.598 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.263 -7.077 0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.274 -8.474 -0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.916 -7.324 -0.366 1.00 0.00 H new ATOM 190 N ARG A 12 -4.763 -5.974 -5.267 1.00 0.00 N ATOM 191 CA ARG A 12 -6.166 -6.265 -5.712 1.00 0.00 C ATOM 192 C ARG A 12 -6.151 -7.547 -6.541 1.00 0.00 C ATOM 193 O ARG A 12 -5.292 -7.725 -7.375 1.00 0.00 O ATOM 194 CB ARG A 12 -6.713 -5.112 -6.572 1.00 0.00 C ATOM 195 CG ARG A 12 -5.562 -4.357 -7.241 1.00 0.00 C ATOM 196 CD ARG A 12 -6.113 -3.285 -8.191 1.00 0.00 C ATOM 197 NE ARG A 12 -6.195 -3.851 -9.569 1.00 0.00 N ATOM 198 CZ ARG A 12 -6.842 -3.212 -10.505 1.00 0.00 C ATOM 199 NH1 ARG A 12 -8.144 -3.288 -10.568 1.00 0.00 N ATOM 200 NH2 ARG A 12 -6.187 -2.497 -11.377 1.00 0.00 N ATOM 0 H ARG A 12 -4.211 -5.415 -5.917 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.806 -6.377 -4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.389 -5.505 -7.331 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.293 -4.429 -5.951 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.933 -3.892 -6.482 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.933 -5.054 -7.794 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.099 -2.959 -7.859 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.467 -2.407 -8.183 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.744 -4.741 -9.780 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.656 -3.847 -9.885 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.649 -2.788 -11.300 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.170 -2.438 -11.327 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.692 -1.997 -12.109 1.00 0.00 H new ATOM 214 N ASN A 13 -7.062 -8.460 -6.328 1.00 0.00 N ATOM 215 CA ASN A 13 -6.998 -9.702 -7.146 1.00 0.00 C ATOM 216 C ASN A 13 -8.308 -10.484 -7.153 1.00 0.00 C ATOM 217 O ASN A 13 -8.378 -11.603 -6.758 1.00 0.00 O ATOM 218 CB ASN A 13 -5.883 -10.573 -6.614 1.00 0.00 C ATOM 219 CG ASN A 13 -6.297 -11.196 -5.279 1.00 0.00 C ATOM 220 OD1 ASN A 13 -6.701 -12.436 -5.253 1.00 0.00 O flip ATOM 221 ND2 ASN A 13 -6.254 -10.548 -4.254 1.00 0.00 N flip ATOM 0 H ASN A 13 -7.821 -8.404 -5.649 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.809 -9.409 -8.179 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.648 -11.357 -7.334 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.978 -9.980 -6.483 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.938 -9.579 -4.276 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.534 -10.973 -3.370 1.00 0.00 H new ATOM 228 N GLU A 14 -9.328 -9.910 -7.643 1.00 0.00 N ATOM 229 CA GLU A 14 -10.634 -10.639 -7.766 1.00 0.00 C ATOM 230 C GLU A 14 -11.312 -10.058 -8.992 1.00 0.00 C ATOM 231 O GLU A 14 -11.754 -10.718 -9.912 1.00 0.00 O ATOM 232 CB GLU A 14 -11.493 -10.410 -6.524 1.00 0.00 C ATOM 233 CG GLU A 14 -12.653 -11.407 -6.522 1.00 0.00 C ATOM 234 CD GLU A 14 -13.980 -10.652 -6.418 1.00 0.00 C ATOM 235 OE1 GLU A 14 -14.193 -9.754 -7.217 1.00 0.00 O ATOM 236 OE2 GLU A 14 -14.761 -10.987 -5.543 1.00 0.00 O ATOM 0 H GLU A 14 -9.342 -8.947 -7.979 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.487 -11.715 -7.858 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.891 -10.533 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.875 -9.389 -6.515 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.634 -12.004 -7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.550 -12.098 -5.686 1.00 0.00 H new ATOM 243 N ASN A 15 -11.313 -8.780 -8.951 1.00 0.00 N ATOM 244 CA ASN A 15 -11.845 -7.881 -9.996 1.00 0.00 C ATOM 245 C ASN A 15 -11.153 -6.583 -9.636 1.00 0.00 C ATOM 246 O ASN A 15 -10.499 -5.933 -10.429 1.00 0.00 O ATOM 247 CB ASN A 15 -13.365 -7.737 -9.871 1.00 0.00 C ATOM 248 CG ASN A 15 -13.934 -7.175 -11.176 1.00 0.00 C ATOM 249 OD1 ASN A 15 -14.269 -6.009 -11.254 1.00 0.00 O ATOM 250 ND2 ASN A 15 -14.058 -7.960 -12.210 1.00 0.00 N ATOM 0 H ASN A 15 -10.929 -8.268 -8.157 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.671 -8.222 -11.017 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.816 -8.705 -9.652 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.611 -7.076 -9.040 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.436 -7.596 -13.084 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.777 -8.938 -12.144 1.00 0.00 H new ATOM 257 N ASN A 16 -11.243 -6.284 -8.369 1.00 0.00 N ATOM 258 CA ASN A 16 -10.561 -5.129 -7.777 1.00 0.00 C ATOM 259 C ASN A 16 -10.533 -5.364 -6.257 1.00 0.00 C ATOM 260 O ASN A 16 -10.803 -4.458 -5.493 1.00 0.00 O ATOM 261 CB ASN A 16 -11.322 -3.841 -8.100 1.00 0.00 C ATOM 262 CG ASN A 16 -10.531 -2.632 -7.594 1.00 0.00 C ATOM 263 OD1 ASN A 16 -11.085 -1.567 -7.404 1.00 0.00 O ATOM 264 ND2 ASN A 16 -9.251 -2.749 -7.361 1.00 0.00 N ATOM 0 H ASN A 16 -11.790 -6.827 -7.701 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.552 -5.023 -8.176 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.479 -3.760 -9.176 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -12.307 -3.863 -7.635 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.719 -1.948 -7.021 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.783 -3.641 -7.519 1.00 0.00 H new ATOM 271 N GLU A 17 -10.244 -6.577 -5.787 1.00 0.00 N ATOM 272 CA GLU A 17 -10.264 -6.778 -4.305 1.00 0.00 C ATOM 273 C GLU A 17 -8.873 -6.580 -3.710 1.00 0.00 C ATOM 274 O GLU A 17 -8.060 -7.484 -3.683 1.00 0.00 O ATOM 275 CB GLU A 17 -10.772 -8.177 -3.957 1.00 0.00 C ATOM 276 CG GLU A 17 -12.245 -8.300 -4.347 1.00 0.00 C ATOM 277 CD GLU A 17 -13.112 -8.095 -3.105 1.00 0.00 C ATOM 278 OE1 GLU A 17 -12.630 -7.483 -2.165 1.00 0.00 O ATOM 279 OE2 GLU A 17 -14.242 -8.557 -3.111 1.00 0.00 O ATOM 0 H GLU A 17 -10.007 -7.395 -6.349 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.940 -6.036 -3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.183 -8.930 -4.481 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.651 -8.364 -2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.496 -7.559 -5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.438 -9.281 -4.782 1.00 0.00 H new ATOM 286 N ILE A 18 -8.602 -5.400 -3.220 1.00 0.00 N ATOM 287 CA ILE A 18 -7.268 -5.122 -2.614 1.00 0.00 C ATOM 288 C ILE A 18 -7.279 -5.464 -1.123 1.00 0.00 C ATOM 289 O ILE A 18 -8.297 -5.401 -0.467 1.00 0.00 O ATOM 290 CB ILE A 18 -6.921 -3.632 -2.759 1.00 0.00 C ATOM 291 CG1 ILE A 18 -8.186 -2.782 -2.614 1.00 0.00 C ATOM 292 CG2 ILE A 18 -6.293 -3.368 -4.125 1.00 0.00 C ATOM 293 CD1 ILE A 18 -7.798 -1.308 -2.483 1.00 0.00 C ATOM 0 H ILE A 18 -9.251 -4.613 -3.214 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.529 -5.734 -3.132 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.211 -3.364 -1.977 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.833 -2.923 -3.480 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.752 -3.099 -1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.052 -2.309 -4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.382 -3.958 -4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.996 -3.648 -4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -8.698 -0.703 -2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.168 -1.174 -1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.251 -0.995 -3.372 1.00 0.00 H new ATOM 305 N PHE A 19 -6.135 -5.781 -0.579 1.00 0.00 N ATOM 306 CA PHE A 19 -6.035 -6.071 0.884 1.00 0.00 C ATOM 307 C PHE A 19 -5.910 -4.726 1.610 1.00 0.00 C ATOM 308 O PHE A 19 -5.037 -4.525 2.431 1.00 0.00 O ATOM 309 CB PHE A 19 -4.783 -6.913 1.147 1.00 0.00 C ATOM 310 CG PHE A 19 -4.960 -7.727 2.407 1.00 0.00 C ATOM 311 CD1 PHE A 19 -6.095 -8.529 2.569 1.00 0.00 C ATOM 312 CD2 PHE A 19 -3.982 -7.689 3.410 1.00 0.00 C ATOM 313 CE1 PHE A 19 -6.254 -9.294 3.731 1.00 0.00 C ATOM 314 CE2 PHE A 19 -4.143 -8.455 4.573 1.00 0.00 C ATOM 315 CZ PHE A 19 -5.276 -9.257 4.733 1.00 0.00 C ATOM 0 H PHE A 19 -5.255 -5.853 -1.090 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.910 -6.619 1.235 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.596 -7.574 0.301 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.913 -6.264 1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.849 -8.558 1.797 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.105 -7.070 3.287 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.131 -9.913 3.855 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.390 -8.425 5.347 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.398 -9.848 5.629 1.00 0.00 H new ATOM 325 N ILE A 20 -6.753 -3.793 1.270 1.00 0.00 N ATOM 326 CA ILE A 20 -6.689 -2.439 1.870 1.00 0.00 C ATOM 327 C ILE A 20 -7.384 -2.400 3.216 1.00 0.00 C ATOM 328 O ILE A 20 -8.288 -3.158 3.494 1.00 0.00 O ATOM 329 CB ILE A 20 -7.389 -1.457 0.936 1.00 0.00 C ATOM 330 CG1 ILE A 20 -7.360 -0.051 1.540 1.00 0.00 C ATOM 331 CG2 ILE A 20 -8.840 -1.892 0.748 1.00 0.00 C ATOM 332 CD1 ILE A 20 -7.353 0.982 0.415 1.00 0.00 C ATOM 0 H ILE A 20 -7.499 -3.918 0.586 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.641 -2.173 2.010 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.875 -1.446 -0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.228 0.099 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.476 0.070 2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -9.346 -1.194 0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.867 -2.892 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.345 -1.902 1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.332 1.985 0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.471 0.835 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.250 0.865 -0.192 1.00 0.00 H new ATOM 344 N THR A 21 -6.990 -1.477 4.028 1.00 0.00 N ATOM 345 CA THR A 21 -7.640 -1.323 5.357 1.00 0.00 C ATOM 346 C THR A 21 -9.052 -0.789 5.127 1.00 0.00 C ATOM 347 O THR A 21 -9.256 0.391 4.917 1.00 0.00 O ATOM 348 CB THR A 21 -6.845 -0.338 6.208 1.00 0.00 C ATOM 349 OG1 THR A 21 -7.688 0.213 7.210 1.00 0.00 O ATOM 350 CG2 THR A 21 -6.304 0.789 5.328 1.00 0.00 C ATOM 0 H THR A 21 -6.240 -0.814 3.833 1.00 0.00 H new ATOM 0 HA THR A 21 -7.676 -2.280 5.878 1.00 0.00 H new ATOM 0 HB THR A 21 -6.012 -0.863 6.677 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.196 0.271 8.056 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.737 1.489 5.941 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.654 0.371 4.560 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.135 1.312 4.854 1.00 0.00 H new ATOM 358 N ARG A 22 -10.024 -1.653 5.130 1.00 0.00 N ATOM 359 CA ARG A 22 -11.418 -1.210 4.872 1.00 0.00 C ATOM 360 C ARG A 22 -12.222 -1.174 6.172 1.00 0.00 C ATOM 361 O ARG A 22 -12.746 -2.178 6.610 1.00 0.00 O ATOM 362 CB ARG A 22 -12.073 -2.190 3.901 1.00 0.00 C ATOM 363 CG ARG A 22 -13.509 -1.752 3.635 1.00 0.00 C ATOM 364 CD ARG A 22 -13.500 -0.411 2.904 1.00 0.00 C ATOM 365 NE ARG A 22 -14.864 -0.148 2.367 1.00 0.00 N ATOM 366 CZ ARG A 22 -15.170 1.028 1.896 1.00 0.00 C ATOM 367 NH1 ARG A 22 -14.229 1.894 1.641 1.00 0.00 N ATOM 368 NH2 ARG A 22 -16.419 1.338 1.682 1.00 0.00 N ATOM 0 H ARG A 22 -9.912 -2.652 5.301 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.400 -0.206 4.447 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.512 -2.224 2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.059 -3.197 4.318 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.025 -2.502 3.036 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.054 -1.664 4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.202 0.387 3.584 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.772 -0.428 2.093 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.562 -0.892 2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.253 1.651 1.810 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.469 2.814 1.272 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.154 0.660 1.883 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.660 2.258 1.313 1.00 0.00 H new ATOM 382 N ARG A 23 -12.332 -0.008 6.766 1.00 0.00 N ATOM 383 CA ARG A 23 -13.112 0.160 8.040 1.00 0.00 C ATOM 384 C ARG A 23 -13.196 -1.163 8.809 1.00 0.00 C ATOM 385 O ARG A 23 -14.210 -1.831 8.803 1.00 0.00 O ATOM 386 CB ARG A 23 -14.537 0.656 7.730 1.00 0.00 C ATOM 387 CG ARG A 23 -14.693 0.951 6.229 1.00 0.00 C ATOM 388 CD ARG A 23 -16.179 1.010 5.858 1.00 0.00 C ATOM 389 NE ARG A 23 -16.610 -0.329 5.364 1.00 0.00 N ATOM 390 CZ ARG A 23 -17.879 -0.612 5.254 1.00 0.00 C ATOM 391 NH1 ARG A 23 -18.733 0.322 4.937 1.00 0.00 N ATOM 392 NH2 ARG A 23 -18.293 -1.833 5.461 1.00 0.00 N ATOM 0 H ARG A 23 -11.907 0.851 6.416 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.593 0.895 8.656 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -15.264 -0.096 8.036 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.748 1.556 8.307 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.211 1.897 5.984 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.194 0.178 5.644 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.772 1.300 6.725 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.346 1.766 5.091 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.910 -1.027 5.111 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.409 1.275 4.775 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.725 0.099 4.851 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.625 -2.563 5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.285 -2.057 5.376 1.00 0.00 H new ATOM 406 N ALA A 24 -12.140 -1.547 9.471 1.00 0.00 N ATOM 407 CA ALA A 24 -12.166 -2.826 10.236 1.00 0.00 C ATOM 408 C ALA A 24 -13.477 -2.928 11.019 1.00 0.00 C ATOM 409 O ALA A 24 -14.193 -3.907 10.925 1.00 0.00 O ATOM 410 CB ALA A 24 -10.985 -2.864 11.209 1.00 0.00 C ATOM 0 H ALA A 24 -11.261 -1.032 9.516 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.092 -3.664 9.543 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.004 -3.799 11.768 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.051 -2.794 10.651 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.057 -2.026 11.902 1.00 0.00 H new ATOM 416 N ALA A 25 -13.801 -1.926 11.789 1.00 0.00 N ATOM 417 CA ALA A 25 -15.065 -1.966 12.575 1.00 0.00 C ATOM 418 C ALA A 25 -16.239 -1.592 11.669 1.00 0.00 C ATOM 419 O ALA A 25 -16.073 -1.346 10.491 1.00 0.00 O ATOM 420 CB ALA A 25 -14.979 -0.965 13.729 1.00 0.00 C ATOM 0 H ALA A 25 -13.244 -1.080 11.908 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.214 -2.970 12.972 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -15.904 -0.993 14.305 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.141 -1.226 14.375 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.831 0.038 13.330 1.00 0.00 H new ATOM 426 N ASP A 26 -17.425 -1.542 12.210 1.00 0.00 N ATOM 427 CA ASP A 26 -18.604 -1.175 11.379 1.00 0.00 C ATOM 428 C ASP A 26 -18.599 0.337 11.151 1.00 0.00 C ATOM 429 O ASP A 26 -18.873 1.110 12.047 1.00 0.00 O ATOM 430 CB ASP A 26 -19.890 -1.585 12.102 1.00 0.00 C ATOM 431 CG ASP A 26 -20.735 -2.470 11.183 1.00 0.00 C ATOM 432 OD1 ASP A 26 -20.431 -2.525 10.003 1.00 0.00 O ATOM 433 OD2 ASP A 26 -21.670 -3.078 11.678 1.00 0.00 O ATOM 0 H ASP A 26 -17.628 -1.739 13.190 1.00 0.00 H new ATOM 0 HA ASP A 26 -18.556 -1.691 10.420 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -19.648 -2.122 13.019 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -20.455 -0.699 12.391 1.00 0.00 H new ATOM 438 N ALA A 27 -18.279 0.767 9.961 1.00 0.00 N ATOM 439 CA ALA A 27 -18.243 2.231 9.684 1.00 0.00 C ATOM 440 C ALA A 27 -19.512 2.658 8.949 1.00 0.00 C ATOM 441 O ALA A 27 -20.306 1.842 8.524 1.00 0.00 O ATOM 442 CB ALA A 27 -17.035 2.554 8.804 1.00 0.00 C ATOM 0 H ALA A 27 -18.041 0.169 9.170 1.00 0.00 H new ATOM 0 HA ALA A 27 -18.172 2.766 10.631 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.008 3.625 8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.121 2.259 9.319 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.114 2.009 7.864 1.00 0.00 H new ATOM 448 N HIS A 28 -19.693 3.936 8.784 1.00 0.00 N ATOM 449 CA HIS A 28 -20.891 4.438 8.060 1.00 0.00 C ATOM 450 C HIS A 28 -20.425 5.390 6.958 1.00 0.00 C ATOM 451 O HIS A 28 -21.197 6.152 6.410 1.00 0.00 O ATOM 452 CB HIS A 28 -21.819 5.179 9.031 1.00 0.00 C ATOM 453 CG HIS A 28 -21.016 5.768 10.159 1.00 0.00 C ATOM 454 ND1 HIS A 28 -20.053 6.741 9.949 1.00 0.00 N ATOM 455 CD2 HIS A 28 -21.021 5.531 11.512 1.00 0.00 C ATOM 456 CE1 HIS A 28 -19.523 7.053 11.146 1.00 0.00 C ATOM 457 NE2 HIS A 28 -20.078 6.344 12.133 1.00 0.00 N ATOM 0 H HIS A 28 -19.058 4.660 9.122 1.00 0.00 H new ATOM 0 HA HIS A 28 -21.441 3.603 7.626 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -22.355 5.968 8.504 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -22.568 4.493 9.426 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -21.660 4.821 12.017 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -18.744 7.787 11.291 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -19.858 6.389 13.128 1.00 0.00 H new ATOM 465 N MET A 29 -19.160 5.347 6.629 1.00 0.00 N ATOM 466 CA MET A 29 -18.632 6.243 5.563 1.00 0.00 C ATOM 467 C MET A 29 -18.013 5.400 4.438 1.00 0.00 C ATOM 468 O MET A 29 -18.730 4.779 3.679 1.00 0.00 O ATOM 469 CB MET A 29 -17.590 7.192 6.165 1.00 0.00 C ATOM 470 CG MET A 29 -18.284 8.472 6.635 1.00 0.00 C ATOM 471 SD MET A 29 -17.143 9.869 6.486 1.00 0.00 S ATOM 472 CE MET A 29 -16.650 9.940 8.226 1.00 0.00 C ATOM 0 H MET A 29 -18.470 4.728 7.055 1.00 0.00 H new ATOM 0 HA MET A 29 -19.445 6.836 5.143 1.00 0.00 H new ATOM 0 HB2 MET A 29 -17.084 6.711 7.002 1.00 0.00 H new ATOM 0 HB3 MET A 29 -16.827 7.430 5.424 1.00 0.00 H new ATOM 0 HG2 MET A 29 -19.178 8.654 6.038 1.00 0.00 H new ATOM 0 HG3 MET A 29 -18.609 8.363 7.670 1.00 0.00 H new ATOM 0 HE1 MET A 29 -15.933 10.748 8.368 1.00 0.00 H new ATOM 0 HE2 MET A 29 -17.528 10.121 8.846 1.00 0.00 H new ATOM 0 HE3 MET A 29 -16.192 8.994 8.513 1.00 0.00 H new ATOM 482 N ALA A 30 -16.699 5.364 4.335 1.00 0.00 N ATOM 483 CA ALA A 30 -16.031 4.554 3.262 1.00 0.00 C ATOM 484 C ALA A 30 -14.710 5.210 2.837 1.00 0.00 C ATOM 485 O ALA A 30 -13.974 4.667 2.040 1.00 0.00 O ATOM 486 CB ALA A 30 -16.934 4.437 2.035 1.00 0.00 C ATOM 0 H ALA A 30 -16.060 5.864 4.953 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.836 3.562 3.669 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -16.432 3.846 1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.868 3.949 2.315 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -17.148 5.432 1.644 1.00 0.00 H new ATOM 492 N ASN A 31 -14.390 6.365 3.359 1.00 0.00 N ATOM 493 CA ASN A 31 -13.107 7.022 2.972 1.00 0.00 C ATOM 494 C ASN A 31 -11.941 6.325 3.686 1.00 0.00 C ATOM 495 O ASN A 31 -10.812 6.770 3.630 1.00 0.00 O ATOM 496 CB ASN A 31 -13.147 8.499 3.380 1.00 0.00 C ATOM 497 CG ASN A 31 -11.995 9.248 2.707 1.00 0.00 C ATOM 498 OD1 ASN A 31 -11.044 8.642 2.254 1.00 0.00 O ATOM 499 ND2 ASN A 31 -12.035 10.550 2.624 1.00 0.00 N ATOM 0 H ASN A 31 -14.958 6.879 4.033 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.970 6.947 1.893 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.100 8.941 3.090 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -13.070 8.590 4.463 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.269 11.056 2.180 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.832 11.061 3.003 1.00 0.00 H new ATOM 506 N LYS A 32 -12.217 5.244 4.368 1.00 0.00 N ATOM 507 CA LYS A 32 -11.154 4.508 5.105 1.00 0.00 C ATOM 508 C LYS A 32 -10.366 3.593 4.158 1.00 0.00 C ATOM 509 O LYS A 32 -10.358 2.389 4.319 1.00 0.00 O ATOM 510 CB LYS A 32 -11.824 3.658 6.178 1.00 0.00 C ATOM 511 CG LYS A 32 -10.937 3.594 7.421 1.00 0.00 C ATOM 512 CD LYS A 32 -10.265 2.222 7.503 1.00 0.00 C ATOM 513 CE LYS A 32 -9.131 2.265 8.528 1.00 0.00 C ATOM 514 NZ LYS A 32 -7.878 2.731 7.869 1.00 0.00 N ATOM 0 H LYS A 32 -13.149 4.836 4.445 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.460 5.223 5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.795 4.081 6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.005 2.653 5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.181 4.378 7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.534 3.772 8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.996 1.465 7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.874 1.938 6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.393 2.934 9.347 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.980 1.276 8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.216 3.082 8.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.442 1.940 7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.101 3.497 7.202 1.00 0.00 H new ATOM 528 N LEU A 33 -9.692 4.146 3.190 1.00 0.00 N ATOM 529 CA LEU A 33 -8.892 3.292 2.259 1.00 0.00 C ATOM 530 C LEU A 33 -7.439 3.775 2.262 1.00 0.00 C ATOM 531 O LEU A 33 -7.060 4.624 1.485 1.00 0.00 O ATOM 532 CB LEU A 33 -9.441 3.393 0.827 1.00 0.00 C ATOM 533 CG LEU A 33 -10.752 2.620 0.687 1.00 0.00 C ATOM 534 CD1 LEU A 33 -11.016 2.370 -0.799 1.00 0.00 C ATOM 535 CD2 LEU A 33 -10.655 1.278 1.420 1.00 0.00 C ATOM 0 H LEU A 33 -9.658 5.148 3.000 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.954 2.256 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.602 4.440 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.707 3.001 0.124 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.565 3.200 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.949 1.819 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.091 3.324 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.196 1.789 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.595 0.736 1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.845 0.687 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.456 1.454 2.477 1.00 0.00 H new ATOM 547 N GLU A 34 -6.619 3.243 3.125 1.00 0.00 N ATOM 548 CA GLU A 34 -5.195 3.679 3.153 1.00 0.00 C ATOM 549 C GLU A 34 -4.388 2.786 2.211 1.00 0.00 C ATOM 550 O GLU A 34 -4.872 2.365 1.179 1.00 0.00 O ATOM 551 CB GLU A 34 -4.645 3.564 4.574 1.00 0.00 C ATOM 552 CG GLU A 34 -3.578 4.639 4.793 1.00 0.00 C ATOM 553 CD GLU A 34 -2.428 4.059 5.620 1.00 0.00 C ATOM 554 OE1 GLU A 34 -2.710 3.374 6.590 1.00 0.00 O ATOM 555 OE2 GLU A 34 -1.286 4.308 5.269 1.00 0.00 O ATOM 0 H GLU A 34 -6.871 2.529 3.809 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.121 4.718 2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.451 3.682 5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.217 2.574 4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.205 4.997 3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.012 5.497 5.306 1.00 0.00 H new ATOM 562 N PHE A 35 -3.163 2.488 2.547 1.00 0.00 N ATOM 563 CA PHE A 35 -2.350 1.620 1.654 1.00 0.00 C ATOM 564 C PHE A 35 -1.411 0.741 2.489 1.00 0.00 C ATOM 565 O PHE A 35 -0.630 1.246 3.271 1.00 0.00 O ATOM 566 CB PHE A 35 -1.522 2.498 0.718 1.00 0.00 C ATOM 567 CG PHE A 35 -2.437 3.458 0.001 1.00 0.00 C ATOM 568 CD1 PHE A 35 -3.192 3.016 -1.092 1.00 0.00 C ATOM 569 CD2 PHE A 35 -2.531 4.786 0.427 1.00 0.00 C ATOM 570 CE1 PHE A 35 -4.043 3.905 -1.757 1.00 0.00 C ATOM 571 CE2 PHE A 35 -3.383 5.674 -0.238 1.00 0.00 C ATOM 572 CZ PHE A 35 -4.138 5.234 -1.330 1.00 0.00 C ATOM 0 H PHE A 35 -2.694 2.806 3.395 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.014 0.980 1.073 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.771 3.048 1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.988 1.879 -0.003 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.117 1.990 -1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.946 5.126 1.269 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.627 3.566 -2.600 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.458 6.700 0.092 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.795 5.920 -1.844 1.00 0.00 H new ATOM 582 N PRO A 36 -1.508 -0.551 2.291 1.00 0.00 N ATOM 583 CA PRO A 36 -0.665 -1.522 3.013 1.00 0.00 C ATOM 584 C PRO A 36 0.809 -1.350 2.609 1.00 0.00 C ATOM 585 O PRO A 36 1.271 -1.962 1.667 1.00 0.00 O ATOM 586 CB PRO A 36 -1.190 -2.890 2.551 1.00 0.00 C ATOM 587 CG PRO A 36 -2.119 -2.645 1.337 1.00 0.00 C ATOM 588 CD PRO A 36 -2.464 -1.153 1.337 1.00 0.00 C ATOM 0 HA PRO A 36 -0.711 -1.399 4.095 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.363 -3.545 2.275 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.733 -3.384 3.356 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.623 -2.927 0.408 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.022 -3.251 1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.357 -0.721 0.342 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.495 -0.984 1.648 1.00 0.00 H new ATOM 596 N GLY A 37 1.555 -0.527 3.304 1.00 0.00 N ATOM 597 CA GLY A 37 2.990 -0.340 2.931 1.00 0.00 C ATOM 598 C GLY A 37 3.881 -0.471 4.164 1.00 0.00 C ATOM 599 O GLY A 37 3.666 0.174 5.171 1.00 0.00 O ATOM 0 H GLY A 37 1.236 0.018 4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.278 -1.081 2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.129 0.641 2.476 1.00 0.00 H new ATOM 603 N GLY A 38 4.883 -1.310 4.093 1.00 0.00 N ATOM 604 CA GLY A 38 5.785 -1.494 5.262 1.00 0.00 C ATOM 605 C GLY A 38 7.146 -0.833 5.020 1.00 0.00 C ATOM 606 O GLY A 38 8.168 -1.351 5.433 1.00 0.00 O ATOM 0 H GLY A 38 5.113 -1.874 3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.323 -1.067 6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.923 -2.558 5.454 1.00 0.00 H new ATOM 610 N LYS A 39 7.161 0.317 4.385 1.00 0.00 N ATOM 611 CA LYS A 39 8.446 1.043 4.145 1.00 0.00 C ATOM 612 C LYS A 39 9.412 0.206 3.313 1.00 0.00 C ATOM 613 O LYS A 39 9.840 -0.850 3.723 1.00 0.00 O ATOM 614 CB LYS A 39 9.091 1.365 5.497 1.00 0.00 C ATOM 615 CG LYS A 39 10.564 1.758 5.324 1.00 0.00 C ATOM 616 CD LYS A 39 10.654 3.242 4.984 1.00 0.00 C ATOM 617 CE LYS A 39 12.106 3.702 5.125 1.00 0.00 C ATOM 618 NZ LYS A 39 12.335 4.212 6.507 1.00 0.00 N ATOM 0 H LYS A 39 6.331 0.785 4.021 1.00 0.00 H new ATOM 0 HA LYS A 39 8.230 1.958 3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.548 2.178 5.978 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.017 0.499 6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.118 1.549 6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.020 1.164 4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.302 3.417 3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.011 3.819 5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.783 2.874 4.915 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.323 4.484 4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.322 4.525 6.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.699 5.014 6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.144 3.454 7.193 1.00 0.00 H new ATOM 632 N ILE A 40 9.804 0.700 2.171 1.00 0.00 N ATOM 633 CA ILE A 40 10.797 -0.054 1.348 1.00 0.00 C ATOM 634 C ILE A 40 12.193 0.258 1.881 1.00 0.00 C ATOM 635 O ILE A 40 12.536 1.400 2.119 1.00 0.00 O ATOM 636 CB ILE A 40 10.693 0.321 -0.142 1.00 0.00 C ATOM 637 CG1 ILE A 40 12.074 0.196 -0.828 1.00 0.00 C ATOM 638 CG2 ILE A 40 10.157 1.750 -0.301 1.00 0.00 C ATOM 639 CD1 ILE A 40 12.842 1.519 -0.735 1.00 0.00 C ATOM 0 H ILE A 40 9.485 1.584 1.773 1.00 0.00 H new ATOM 0 HA ILE A 40 10.593 -1.122 1.424 1.00 0.00 H new ATOM 0 HB ILE A 40 9.998 -0.369 -0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.650 -0.600 -0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.943 -0.083 -1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.090 1.998 -1.360 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.168 1.820 0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.832 2.449 0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.811 1.412 -1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 40 12.272 2.306 -1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.990 1.781 0.313 1.00 0.00 H new ATOM 651 N GLU A 41 13.002 -0.739 2.065 1.00 0.00 N ATOM 652 CA GLU A 41 14.373 -0.476 2.578 1.00 0.00 C ATOM 653 C GLU A 41 15.222 -1.756 2.529 1.00 0.00 C ATOM 654 O GLU A 41 16.433 -1.698 2.446 1.00 0.00 O ATOM 655 CB GLU A 41 14.272 0.079 4.008 1.00 0.00 C ATOM 656 CG GLU A 41 14.333 -1.054 5.040 1.00 0.00 C ATOM 657 CD GLU A 41 13.456 -0.698 6.242 1.00 0.00 C ATOM 658 OE1 GLU A 41 12.258 -0.566 6.056 1.00 0.00 O ATOM 659 OE2 GLU A 41 13.997 -0.563 7.326 1.00 0.00 O ATOM 0 H GLU A 41 12.779 -1.718 1.885 1.00 0.00 H new ATOM 0 HA GLU A 41 14.868 0.263 1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.084 0.784 4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.339 0.631 4.123 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.992 -1.987 4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.362 -1.212 5.362 1.00 0.00 H new ATOM 666 N MET A 42 14.607 -2.910 2.575 1.00 0.00 N ATOM 667 CA MET A 42 15.392 -4.175 2.522 1.00 0.00 C ATOM 668 C MET A 42 16.284 -4.164 1.279 1.00 0.00 C ATOM 669 O MET A 42 15.830 -3.909 0.182 1.00 0.00 O ATOM 670 CB MET A 42 14.433 -5.364 2.445 1.00 0.00 C ATOM 671 CG MET A 42 14.867 -6.436 3.446 1.00 0.00 C ATOM 672 SD MET A 42 14.183 -6.052 5.076 1.00 0.00 S ATOM 673 CE MET A 42 12.435 -6.169 4.625 1.00 0.00 C ATOM 0 H MET A 42 13.596 -3.029 2.647 1.00 0.00 H new ATOM 0 HA MET A 42 16.009 -4.260 3.416 1.00 0.00 H new ATOM 0 HB2 MET A 42 13.416 -5.039 2.663 1.00 0.00 H new ATOM 0 HB3 MET A 42 14.427 -5.775 1.436 1.00 0.00 H new ATOM 0 HG2 MET A 42 14.523 -7.416 3.117 1.00 0.00 H new ATOM 0 HG3 MET A 42 15.955 -6.481 3.498 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.983 -5.177 4.658 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.346 -6.575 3.617 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.921 -6.826 5.327 1.00 0.00 H new ATOM 683 N GLY A 43 17.549 -4.441 1.440 1.00 0.00 N ATOM 684 CA GLY A 43 18.464 -4.445 0.262 1.00 0.00 C ATOM 685 C GLY A 43 18.625 -3.020 -0.264 1.00 0.00 C ATOM 686 O GLY A 43 19.061 -2.131 0.439 1.00 0.00 O ATOM 0 H GLY A 43 17.988 -4.664 2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 43 19.435 -4.852 0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 43 18.064 -5.090 -0.520 1.00 0.00 H new ATOM 690 N GLU A 44 18.272 -2.798 -1.499 1.00 0.00 N ATOM 691 CA GLU A 44 18.399 -1.429 -2.078 1.00 0.00 C ATOM 692 C GLU A 44 17.660 -1.364 -3.417 1.00 0.00 C ATOM 693 O GLU A 44 17.941 -0.525 -4.250 1.00 0.00 O ATOM 694 CB GLU A 44 19.877 -1.099 -2.296 1.00 0.00 C ATOM 695 CG GLU A 44 20.591 -2.318 -2.884 1.00 0.00 C ATOM 696 CD GLU A 44 21.057 -3.234 -1.752 1.00 0.00 C ATOM 697 OE1 GLU A 44 21.838 -2.781 -0.932 1.00 0.00 O ATOM 698 OE2 GLU A 44 20.626 -4.375 -1.725 1.00 0.00 O ATOM 0 H GLU A 44 17.901 -3.505 -2.134 1.00 0.00 H new ATOM 0 HA GLU A 44 17.963 -0.706 -1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 44 19.975 -0.247 -2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.340 -0.814 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 44 19.919 -2.859 -3.550 1.00 0.00 H new ATOM 0 HG3 GLU A 44 21.445 -1.999 -3.482 1.00 0.00 H new ATOM 705 N THR A 45 16.718 -2.240 -3.630 1.00 0.00 N ATOM 706 CA THR A 45 15.962 -2.228 -4.910 1.00 0.00 C ATOM 707 C THR A 45 14.499 -2.535 -4.592 1.00 0.00 C ATOM 708 O THR A 45 14.231 -3.378 -3.780 1.00 0.00 O ATOM 709 CB THR A 45 16.536 -3.310 -5.831 1.00 0.00 C ATOM 710 OG1 THR A 45 17.833 -2.920 -6.262 1.00 0.00 O ATOM 711 CG2 THR A 45 15.631 -3.500 -7.048 1.00 0.00 C ATOM 0 H THR A 45 16.439 -2.966 -2.969 1.00 0.00 H new ATOM 0 HA THR A 45 16.040 -1.260 -5.405 1.00 0.00 H new ATOM 0 HB THR A 45 16.595 -4.251 -5.283 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.204 -3.611 -6.850 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.049 -4.271 -7.695 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.637 -3.802 -6.719 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.561 -2.562 -7.599 1.00 0.00 H new ATOM 719 N PRO A 46 13.595 -1.842 -5.233 1.00 0.00 N ATOM 720 CA PRO A 46 12.150 -2.043 -5.001 1.00 0.00 C ATOM 721 C PRO A 46 11.779 -3.529 -5.048 1.00 0.00 C ATOM 722 O PRO A 46 10.733 -3.917 -4.574 1.00 0.00 O ATOM 723 CB PRO A 46 11.467 -1.249 -6.119 1.00 0.00 C ATOM 724 CG PRO A 46 12.562 -0.406 -6.827 1.00 0.00 C ATOM 725 CD PRO A 46 13.924 -0.815 -6.236 1.00 0.00 C ATOM 0 HA PRO A 46 11.838 -1.704 -4.013 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.983 -1.922 -6.827 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.690 -0.603 -5.711 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.544 -0.582 -7.903 1.00 0.00 H new ATOM 0 HG3 PRO A 46 12.383 0.658 -6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.588 -1.209 -7.005 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.432 0.036 -5.782 1.00 0.00 H new ATOM 733 N GLU A 47 12.619 -4.373 -5.585 1.00 0.00 N ATOM 734 CA GLU A 47 12.279 -5.822 -5.608 1.00 0.00 C ATOM 735 C GLU A 47 12.598 -6.420 -4.237 1.00 0.00 C ATOM 736 O GLU A 47 11.732 -6.617 -3.429 1.00 0.00 O ATOM 737 CB GLU A 47 13.097 -6.535 -6.687 1.00 0.00 C ATOM 738 CG GLU A 47 12.159 -7.035 -7.789 1.00 0.00 C ATOM 739 CD GLU A 47 12.960 -7.832 -8.820 1.00 0.00 C ATOM 740 OE1 GLU A 47 13.634 -8.768 -8.423 1.00 0.00 O ATOM 741 OE2 GLU A 47 12.883 -7.494 -9.989 1.00 0.00 O ATOM 0 H GLU A 47 13.515 -4.125 -6.004 1.00 0.00 H new ATOM 0 HA GLU A 47 11.220 -5.949 -5.833 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.838 -5.854 -7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.643 -7.372 -6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.376 -7.660 -7.359 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.664 -6.191 -8.270 1.00 0.00 H new ATOM 748 N GLN A 48 13.835 -6.700 -3.956 1.00 0.00 N ATOM 749 CA GLN A 48 14.169 -7.270 -2.620 1.00 0.00 C ATOM 750 C GLN A 48 13.530 -6.412 -1.529 1.00 0.00 C ATOM 751 O GLN A 48 13.191 -6.885 -0.474 1.00 0.00 O ATOM 752 CB GLN A 48 15.681 -7.266 -2.414 1.00 0.00 C ATOM 753 CG GLN A 48 16.307 -8.378 -3.253 1.00 0.00 C ATOM 754 CD GLN A 48 17.793 -8.518 -2.907 1.00 0.00 C ATOM 755 OE1 GLN A 48 18.393 -7.569 -2.238 1.00 0.00 O flip ATOM 756 NE2 GLN A 48 18.415 -9.502 -3.251 1.00 0.00 N flip ATOM 0 H GLN A 48 14.626 -6.562 -4.585 1.00 0.00 H new ATOM 0 HA GLN A 48 13.793 -8.292 -2.569 1.00 0.00 H new ATOM 0 HB2 GLN A 48 16.096 -6.300 -2.701 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.916 -7.413 -1.360 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.791 -9.320 -3.067 1.00 0.00 H new ATOM 0 HG3 GLN A 48 16.191 -8.155 -4.314 1.00 0.00 H new ATOM 0 HE21 GLN A 48 17.948 -10.244 -3.773 1.00 0.00 H new ATOM 0 HE22 GLN A 48 19.404 -9.587 -3.018 1.00 0.00 H new ATOM 765 N ALA A 49 13.385 -5.151 -1.773 1.00 0.00 N ATOM 766 CA ALA A 49 12.795 -4.256 -0.747 1.00 0.00 C ATOM 767 C ALA A 49 11.317 -4.574 -0.547 1.00 0.00 C ATOM 768 O ALA A 49 10.900 -4.907 0.527 1.00 0.00 O ATOM 769 CB ALA A 49 12.933 -2.803 -1.189 1.00 0.00 C ATOM 0 H ALA A 49 13.651 -4.694 -2.645 1.00 0.00 H new ATOM 0 HA ALA A 49 13.326 -4.412 0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.498 -2.150 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.988 -2.560 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.411 -2.659 -2.135 1.00 0.00 H new ATOM 775 N VAL A 50 10.516 -4.456 -1.562 1.00 0.00 N ATOM 776 CA VAL A 50 9.059 -4.735 -1.390 1.00 0.00 C ATOM 777 C VAL A 50 8.829 -6.232 -1.174 1.00 0.00 C ATOM 778 O VAL A 50 8.092 -6.650 -0.306 1.00 0.00 O ATOM 779 CB VAL A 50 8.318 -4.265 -2.642 1.00 0.00 C ATOM 780 CG1 VAL A 50 8.500 -5.276 -3.780 1.00 0.00 C ATOM 781 CG2 VAL A 50 6.832 -4.125 -2.334 1.00 0.00 C ATOM 0 H VAL A 50 10.800 -4.180 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 50 8.684 -4.202 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 50 8.727 -3.302 -2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.967 -4.928 -4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.560 -5.376 -4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.102 -6.244 -3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.305 -3.790 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.434 -5.089 -2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.693 -3.396 -1.536 1.00 0.00 H new ATOM 791 N VAL A 51 9.463 -7.024 -1.973 1.00 0.00 N ATOM 792 CA VAL A 51 9.330 -8.504 -1.885 1.00 0.00 C ATOM 793 C VAL A 51 9.740 -8.995 -0.484 1.00 0.00 C ATOM 794 O VAL A 51 9.044 -9.774 0.137 1.00 0.00 O ATOM 795 CB VAL A 51 10.236 -9.119 -2.959 1.00 0.00 C ATOM 796 CG1 VAL A 51 11.655 -9.257 -2.421 1.00 0.00 C ATOM 797 CG2 VAL A 51 9.716 -10.493 -3.365 1.00 0.00 C ATOM 0 H VAL A 51 10.090 -6.703 -2.710 1.00 0.00 H new ATOM 0 HA VAL A 51 8.295 -8.804 -2.049 1.00 0.00 H new ATOM 0 HB VAL A 51 10.237 -8.464 -3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.294 -9.694 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.038 -8.274 -2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.650 -9.902 -1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.368 -10.918 -4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.701 -11.148 -2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.706 -10.397 -3.764 1.00 0.00 H new ATOM 807 N ARG A 52 10.862 -8.544 0.013 1.00 0.00 N ATOM 808 CA ARG A 52 11.312 -8.978 1.365 1.00 0.00 C ATOM 809 C ARG A 52 10.436 -8.282 2.400 1.00 0.00 C ATOM 810 O ARG A 52 10.071 -8.849 3.405 1.00 0.00 O ATOM 811 CB ARG A 52 12.778 -8.587 1.570 1.00 0.00 C ATOM 812 CG ARG A 52 13.665 -9.362 0.591 1.00 0.00 C ATOM 813 CD ARG A 52 14.771 -10.075 1.370 1.00 0.00 C ATOM 814 NE ARG A 52 14.943 -11.460 0.844 1.00 0.00 N ATOM 815 CZ ARG A 52 16.010 -12.150 1.150 1.00 0.00 C ATOM 816 NH1 ARG A 52 16.356 -12.301 2.400 1.00 0.00 N ATOM 817 NH2 ARG A 52 16.729 -12.692 0.206 1.00 0.00 N ATOM 0 H ARG A 52 11.486 -7.892 -0.462 1.00 0.00 H new ATOM 0 HA ARG A 52 11.225 -10.060 1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.903 -7.515 1.417 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.080 -8.800 2.595 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.069 -10.087 0.037 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.100 -8.682 -0.141 1.00 0.00 H new ATOM 0 HD2 ARG A 52 15.706 -9.523 1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 52 14.520 -10.107 2.430 1.00 0.00 H new ATOM 0 HE ARG A 52 14.227 -11.869 0.244 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.793 -11.880 3.139 1.00 0.00 H new ATOM 0 HH12 ARG A 52 17.189 -12.840 2.637 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.458 -12.577 -0.771 1.00 0.00 H new ATOM 0 HH22 ARG A 52 17.562 -13.230 0.445 1.00 0.00 H new ATOM 831 N GLU A 53 10.068 -7.063 2.128 1.00 0.00 N ATOM 832 CA GLU A 53 9.170 -6.315 3.055 1.00 0.00 C ATOM 833 C GLU A 53 7.824 -7.024 3.069 1.00 0.00 C ATOM 834 O GLU A 53 7.013 -6.853 3.956 1.00 0.00 O ATOM 835 CB GLU A 53 8.957 -4.896 2.535 1.00 0.00 C ATOM 836 CG GLU A 53 10.226 -4.079 2.730 1.00 0.00 C ATOM 837 CD GLU A 53 10.157 -3.336 4.064 1.00 0.00 C ATOM 838 OE1 GLU A 53 9.129 -3.421 4.714 1.00 0.00 O ATOM 839 OE2 GLU A 53 11.133 -2.692 4.414 1.00 0.00 O ATOM 0 H GLU A 53 10.352 -6.546 1.296 1.00 0.00 H new ATOM 0 HA GLU A 53 9.611 -6.276 4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.689 -4.922 1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.127 -4.426 3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.098 -4.733 2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.342 -3.368 1.912 1.00 0.00 H new ATOM 846 N LEU A 54 7.589 -7.804 2.055 1.00 0.00 N ATOM 847 CA LEU A 54 6.309 -8.532 1.927 1.00 0.00 C ATOM 848 C LEU A 54 6.314 -9.757 2.841 1.00 0.00 C ATOM 849 O LEU A 54 5.525 -9.863 3.760 1.00 0.00 O ATOM 850 CB LEU A 54 6.168 -8.960 0.459 1.00 0.00 C ATOM 851 CG LEU A 54 5.064 -8.147 -0.223 1.00 0.00 C ATOM 852 CD1 LEU A 54 3.808 -8.180 0.641 1.00 0.00 C ATOM 853 CD2 LEU A 54 5.528 -6.699 -0.390 1.00 0.00 C ATOM 0 H LEU A 54 8.248 -7.968 1.294 1.00 0.00 H new ATOM 0 HA LEU A 54 5.471 -7.899 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.114 -8.813 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.935 -10.023 0.403 1.00 0.00 H new ATOM 0 HG LEU A 54 4.847 -8.574 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.019 -7.602 0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.478 -9.212 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.027 -7.750 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.743 -6.119 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.743 -6.271 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.429 -6.674 -1.003 1.00 0.00 H new ATOM 865 N GLN A 55 7.191 -10.681 2.594 1.00 0.00 N ATOM 866 CA GLN A 55 7.251 -11.908 3.446 1.00 0.00 C ATOM 867 C GLN A 55 7.511 -11.522 4.909 1.00 0.00 C ATOM 868 O GLN A 55 6.894 -12.047 5.815 1.00 0.00 O ATOM 869 CB GLN A 55 8.384 -12.833 2.966 1.00 0.00 C ATOM 870 CG GLN A 55 9.446 -12.029 2.207 1.00 0.00 C ATOM 871 CD GLN A 55 10.815 -12.685 2.387 1.00 0.00 C ATOM 872 OE1 GLN A 55 11.176 -13.075 3.480 1.00 0.00 O ATOM 873 NE2 GLN A 55 11.596 -12.828 1.351 1.00 0.00 N ATOM 0 H GLN A 55 7.874 -10.646 1.838 1.00 0.00 H new ATOM 0 HA GLN A 55 6.296 -12.428 3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.840 -13.334 3.820 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.978 -13.611 2.320 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.192 -11.981 1.148 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.472 -11.004 2.576 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.292 -12.500 0.434 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.510 -13.267 1.458 1.00 0.00 H new ATOM 882 N GLU A 56 8.428 -10.623 5.149 1.00 0.00 N ATOM 883 CA GLU A 56 8.731 -10.225 6.556 1.00 0.00 C ATOM 884 C GLU A 56 7.457 -9.768 7.260 1.00 0.00 C ATOM 885 O GLU A 56 7.380 -9.749 8.473 1.00 0.00 O ATOM 886 CB GLU A 56 9.750 -9.080 6.573 1.00 0.00 C ATOM 887 CG GLU A 56 9.291 -7.944 5.659 1.00 0.00 C ATOM 888 CD GLU A 56 8.497 -6.906 6.462 1.00 0.00 C ATOM 889 OE1 GLU A 56 7.974 -7.265 7.503 1.00 0.00 O ATOM 890 OE2 GLU A 56 8.429 -5.766 6.018 1.00 0.00 O ATOM 0 H GLU A 56 8.979 -10.148 4.434 1.00 0.00 H new ATOM 0 HA GLU A 56 9.144 -11.089 7.076 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.873 -8.709 7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.724 -9.446 6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.155 -7.471 5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.673 -8.342 4.854 1.00 0.00 H new ATOM 897 N GLU A 57 6.457 -9.392 6.518 1.00 0.00 N ATOM 898 CA GLU A 57 5.204 -8.927 7.164 1.00 0.00 C ATOM 899 C GLU A 57 4.369 -10.131 7.604 1.00 0.00 C ATOM 900 O GLU A 57 4.530 -10.646 8.693 1.00 0.00 O ATOM 901 CB GLU A 57 4.412 -8.058 6.181 1.00 0.00 C ATOM 902 CG GLU A 57 4.714 -6.593 6.495 1.00 0.00 C ATOM 903 CD GLU A 57 5.024 -5.815 5.214 1.00 0.00 C ATOM 904 OE1 GLU A 57 4.564 -6.228 4.163 1.00 0.00 O ATOM 905 OE2 GLU A 57 5.723 -4.811 5.313 1.00 0.00 O ATOM 0 H GLU A 57 6.453 -9.387 5.498 1.00 0.00 H new ATOM 0 HA GLU A 57 5.448 -8.332 8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.692 -8.293 5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.344 -8.255 6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.861 -6.142 7.002 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.561 -6.530 7.178 1.00 0.00 H new ATOM 912 N VAL A 58 3.473 -10.573 6.773 1.00 0.00 N ATOM 913 CA VAL A 58 2.618 -11.729 7.135 1.00 0.00 C ATOM 914 C VAL A 58 3.385 -13.038 6.918 1.00 0.00 C ATOM 915 O VAL A 58 3.903 -13.615 7.854 1.00 0.00 O ATOM 916 CB VAL A 58 1.370 -11.672 6.272 1.00 0.00 C ATOM 917 CG1 VAL A 58 0.416 -12.798 6.650 1.00 0.00 C ATOM 918 CG2 VAL A 58 0.693 -10.321 6.505 1.00 0.00 C ATOM 0 H VAL A 58 3.295 -10.178 5.849 1.00 0.00 H new ATOM 0 HA VAL A 58 2.337 -11.688 8.187 1.00 0.00 H new ATOM 0 HB VAL A 58 1.638 -11.788 5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.475 -12.746 6.024 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.909 -13.758 6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.130 -12.697 7.697 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.208 -10.255 5.895 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.426 -10.224 7.557 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.377 -9.519 6.229 1.00 0.00 H new ATOM 928 N GLY A 59 3.493 -13.512 5.701 1.00 0.00 N ATOM 929 CA GLY A 59 4.264 -14.774 5.491 1.00 0.00 C ATOM 930 C GLY A 59 3.656 -15.667 4.393 1.00 0.00 C ATOM 931 O GLY A 59 3.847 -16.867 4.407 1.00 0.00 O ATOM 0 H GLY A 59 3.091 -13.091 4.863 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.292 -14.527 5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.302 -15.331 6.427 1.00 0.00 H new ATOM 935 N ILE A 60 2.966 -15.122 3.424 1.00 0.00 N ATOM 936 CA ILE A 60 2.420 -16.011 2.344 1.00 0.00 C ATOM 937 C ILE A 60 3.556 -16.277 1.343 1.00 0.00 C ATOM 938 O ILE A 60 4.701 -16.386 1.734 1.00 0.00 O ATOM 939 CB ILE A 60 1.209 -15.365 1.641 1.00 0.00 C ATOM 940 CG1 ILE A 60 1.530 -13.926 1.252 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.006 -15.383 2.581 1.00 0.00 C ATOM 942 CD1 ILE A 60 1.640 -13.820 -0.270 1.00 0.00 C ATOM 0 H ILE A 60 2.759 -14.128 3.330 1.00 0.00 H new ATOM 0 HA ILE A 60 2.066 -16.947 2.777 1.00 0.00 H new ATOM 0 HB ILE A 60 0.979 -15.932 0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.751 -13.257 1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.464 -13.612 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.850 -14.926 2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.234 -16.413 2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.243 -14.822 3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.869 -12.791 -0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.434 -14.477 -0.624 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.695 -14.116 -0.725 1.00 0.00 H new ATOM 954 N THR A 61 3.283 -16.383 0.068 1.00 0.00 N ATOM 955 CA THR A 61 4.400 -16.635 -0.884 1.00 0.00 C ATOM 956 C THR A 61 4.162 -15.868 -2.201 1.00 0.00 C ATOM 957 O THR A 61 4.851 -14.901 -2.460 1.00 0.00 O ATOM 958 CB THR A 61 4.547 -18.147 -1.117 1.00 0.00 C ATOM 959 OG1 THR A 61 5.340 -18.698 -0.076 1.00 0.00 O ATOM 960 CG2 THR A 61 5.227 -18.415 -2.464 1.00 0.00 C ATOM 0 H THR A 61 2.354 -16.308 -0.347 1.00 0.00 H new ATOM 0 HA THR A 61 5.335 -16.268 -0.461 1.00 0.00 H new ATOM 0 HB THR A 61 3.558 -18.606 -1.123 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.367 -18.075 0.680 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.324 -19.490 -2.615 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.625 -17.989 -3.267 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.216 -17.957 -2.470 1.00 0.00 H new ATOM 968 N PRO A 62 3.204 -16.293 -2.998 1.00 0.00 N ATOM 969 CA PRO A 62 2.908 -15.610 -4.268 1.00 0.00 C ATOM 970 C PRO A 62 2.348 -14.218 -3.997 1.00 0.00 C ATOM 971 O PRO A 62 2.358 -13.740 -2.883 1.00 0.00 O ATOM 972 CB PRO A 62 1.838 -16.464 -4.946 1.00 0.00 C ATOM 973 CG PRO A 62 1.346 -17.487 -3.894 1.00 0.00 C ATOM 974 CD PRO A 62 2.347 -17.459 -2.725 1.00 0.00 C ATOM 0 HA PRO A 62 3.801 -15.497 -4.883 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.013 -15.843 -5.296 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.246 -16.974 -5.819 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.344 -17.231 -3.548 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.288 -18.486 -4.327 1.00 0.00 H new ATOM 0 HD2 PRO A 62 1.836 -17.360 -1.768 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.931 -18.378 -2.681 1.00 0.00 H new ATOM 982 N GLN A 63 1.860 -13.597 -5.036 1.00 0.00 N ATOM 983 CA GLN A 63 1.274 -12.228 -4.966 1.00 0.00 C ATOM 984 C GLN A 63 1.808 -11.470 -6.162 1.00 0.00 C ATOM 985 O GLN A 63 1.194 -10.549 -6.661 1.00 0.00 O ATOM 986 CB GLN A 63 1.677 -11.482 -3.691 1.00 0.00 C ATOM 987 CG GLN A 63 3.200 -11.460 -3.562 1.00 0.00 C ATOM 988 CD GLN A 63 3.713 -10.020 -3.688 1.00 0.00 C ATOM 989 OE1 GLN A 63 3.015 -9.037 -3.187 1.00 0.00 O flip ATOM 990 NE2 GLN A 63 4.764 -9.789 -4.250 1.00 0.00 N flip ATOM 0 H GLN A 63 1.844 -14.003 -5.972 1.00 0.00 H new ATOM 0 HA GLN A 63 0.187 -12.303 -4.961 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.291 -10.463 -3.718 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.236 -11.967 -2.820 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.499 -11.879 -2.601 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.648 -12.084 -4.335 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.312 -10.555 -4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.099 -8.829 -4.330 1.00 0.00 H new ATOM 999 N HIS A 64 2.958 -11.864 -6.636 1.00 0.00 N ATOM 1000 CA HIS A 64 3.533 -11.171 -7.805 1.00 0.00 C ATOM 1001 C HIS A 64 3.653 -9.694 -7.461 1.00 0.00 C ATOM 1002 O HIS A 64 3.592 -9.319 -6.306 1.00 0.00 O ATOM 1003 CB HIS A 64 2.593 -11.376 -8.986 1.00 0.00 C ATOM 1004 CG HIS A 64 3.348 -11.992 -10.129 1.00 0.00 C ATOM 1005 ND1 HIS A 64 3.801 -13.300 -10.093 1.00 0.00 N ATOM 1006 CD2 HIS A 64 3.735 -11.493 -11.348 1.00 0.00 C ATOM 1007 CE1 HIS A 64 4.428 -13.544 -11.258 1.00 0.00 C ATOM 1008 NE2 HIS A 64 4.417 -12.475 -12.060 1.00 0.00 N ATOM 0 H HIS A 64 3.516 -12.632 -6.262 1.00 0.00 H new ATOM 0 HA HIS A 64 4.518 -11.560 -8.063 1.00 0.00 H new ATOM 0 HB2 HIS A 64 1.763 -12.020 -8.696 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.164 -10.422 -9.292 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.540 -10.491 -11.701 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.885 -14.489 -11.514 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.821 -12.396 -12.993 1.00 0.00 H new ATOM 1016 N PHE A 65 3.820 -8.843 -8.426 1.00 0.00 N ATOM 1017 CA PHE A 65 3.936 -7.404 -8.089 1.00 0.00 C ATOM 1018 C PHE A 65 4.198 -6.577 -9.347 1.00 0.00 C ATOM 1019 O PHE A 65 4.906 -6.985 -10.245 1.00 0.00 O ATOM 1020 CB PHE A 65 5.086 -7.215 -7.096 1.00 0.00 C ATOM 1021 CG PHE A 65 6.283 -8.008 -7.562 1.00 0.00 C ATOM 1022 CD1 PHE A 65 7.023 -7.573 -8.666 1.00 0.00 C ATOM 1023 CD2 PHE A 65 6.652 -9.181 -6.890 1.00 0.00 C ATOM 1024 CE1 PHE A 65 8.134 -8.307 -9.098 1.00 0.00 C ATOM 1025 CE2 PHE A 65 7.763 -9.916 -7.323 1.00 0.00 C ATOM 1026 CZ PHE A 65 8.503 -9.479 -8.427 1.00 0.00 C ATOM 0 H PHE A 65 3.881 -9.075 -9.417 1.00 0.00 H new ATOM 0 HA PHE A 65 3.001 -7.065 -7.644 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.343 -6.159 -7.017 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.782 -7.544 -6.102 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.737 -6.670 -9.186 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.080 -9.518 -6.038 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.707 -7.969 -9.949 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.048 -10.820 -6.805 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.359 -10.046 -8.762 1.00 0.00 H new ATOM 1036 N SER A 66 3.637 -5.403 -9.398 1.00 0.00 N ATOM 1037 CA SER A 66 3.847 -4.512 -10.570 1.00 0.00 C ATOM 1038 C SER A 66 3.905 -3.074 -10.062 1.00 0.00 C ATOM 1039 O SER A 66 3.413 -2.774 -8.998 1.00 0.00 O ATOM 1040 CB SER A 66 2.700 -4.665 -11.566 1.00 0.00 C ATOM 1041 OG SER A 66 1.635 -5.386 -10.969 1.00 0.00 O ATOM 0 H SER A 66 3.035 -5.019 -8.669 1.00 0.00 H new ATOM 0 HA SER A 66 4.774 -4.776 -11.079 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.351 -3.683 -11.886 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.048 -5.186 -12.458 1.00 0.00 H new ATOM 0 HG SER A 66 1.299 -4.891 -10.193 1.00 0.00 H new ATOM 1047 N LEU A 67 4.515 -2.191 -10.796 1.00 0.00 N ATOM 1048 CA LEU A 67 4.618 -0.778 -10.318 1.00 0.00 C ATOM 1049 C LEU A 67 3.274 -0.059 -10.450 1.00 0.00 C ATOM 1050 O LEU A 67 2.645 0.274 -9.472 1.00 0.00 O ATOM 1051 CB LEU A 67 5.665 -0.027 -11.149 1.00 0.00 C ATOM 1052 CG LEU A 67 6.409 1.014 -10.289 1.00 0.00 C ATOM 1053 CD1 LEU A 67 6.709 2.244 -11.142 1.00 0.00 C ATOM 1054 CD2 LEU A 67 5.559 1.451 -9.089 1.00 0.00 C ATOM 0 H LEU A 67 4.946 -2.379 -11.701 1.00 0.00 H new ATOM 0 HA LEU A 67 4.911 -0.794 -9.268 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.379 -0.736 -11.567 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.180 0.470 -11.989 1.00 0.00 H new ATOM 0 HG LEU A 67 7.329 0.559 -9.923 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.235 2.985 -10.540 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.332 1.956 -11.989 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.775 2.671 -11.507 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.110 2.185 -8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.629 1.894 -9.444 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.334 0.584 -8.468 1.00 0.00 H new ATOM 1066 N PHE A 68 2.868 0.205 -11.659 1.00 0.00 N ATOM 1067 CA PHE A 68 1.589 0.930 -11.925 1.00 0.00 C ATOM 1068 C PHE A 68 1.853 2.440 -11.824 1.00 0.00 C ATOM 1069 O PHE A 68 1.533 3.192 -12.722 1.00 0.00 O ATOM 1070 CB PHE A 68 0.488 0.466 -10.939 1.00 0.00 C ATOM 1071 CG PHE A 68 -0.159 1.649 -10.249 1.00 0.00 C ATOM 1072 CD1 PHE A 68 -1.032 2.478 -10.963 1.00 0.00 C ATOM 1073 CD2 PHE A 68 0.119 1.920 -8.903 1.00 0.00 C ATOM 1074 CE1 PHE A 68 -1.630 3.574 -10.332 1.00 0.00 C ATOM 1075 CE2 PHE A 68 -0.482 3.017 -8.273 1.00 0.00 C ATOM 1076 CZ PHE A 68 -1.354 3.844 -8.989 1.00 0.00 C ATOM 0 H PHE A 68 3.382 -0.058 -12.500 1.00 0.00 H new ATOM 0 HA PHE A 68 1.228 0.704 -12.928 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.269 -0.104 -11.477 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.920 -0.202 -10.194 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.244 2.271 -12.002 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.796 1.284 -8.352 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.305 4.212 -10.883 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.272 3.225 -7.234 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.814 4.692 -8.503 1.00 0.00 H new ATOM 1086 N GLU A 69 2.446 2.878 -10.744 1.00 0.00 N ATOM 1087 CA GLU A 69 2.755 4.332 -10.569 1.00 0.00 C ATOM 1088 C GLU A 69 2.900 4.629 -9.079 1.00 0.00 C ATOM 1089 O GLU A 69 2.689 3.773 -8.252 1.00 0.00 O ATOM 1090 CB GLU A 69 1.634 5.195 -11.155 1.00 0.00 C ATOM 1091 CG GLU A 69 2.130 5.847 -12.448 1.00 0.00 C ATOM 1092 CD GLU A 69 1.192 6.987 -12.846 1.00 0.00 C ATOM 1093 OE1 GLU A 69 1.225 8.014 -12.188 1.00 0.00 O ATOM 1094 OE2 GLU A 69 0.462 6.815 -13.806 1.00 0.00 O ATOM 0 H GLU A 69 2.733 2.285 -9.966 1.00 0.00 H new ATOM 0 HA GLU A 69 3.682 4.566 -11.093 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.754 4.584 -11.355 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.334 5.960 -10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.142 6.228 -12.309 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.175 5.106 -13.246 1.00 0.00 H new ATOM 1101 N LYS A 70 3.268 5.828 -8.724 1.00 0.00 N ATOM 1102 CA LYS A 70 3.426 6.147 -7.277 1.00 0.00 C ATOM 1103 C LYS A 70 3.403 7.660 -7.067 1.00 0.00 C ATOM 1104 O LYS A 70 3.072 8.417 -7.958 1.00 0.00 O ATOM 1105 CB LYS A 70 4.753 5.587 -6.757 1.00 0.00 C ATOM 1106 CG LYS A 70 5.775 5.484 -7.892 1.00 0.00 C ATOM 1107 CD LYS A 70 6.484 6.829 -8.075 1.00 0.00 C ATOM 1108 CE LYS A 70 7.167 7.228 -6.765 1.00 0.00 C ATOM 1109 NZ LYS A 70 8.368 8.057 -7.064 1.00 0.00 N ATOM 0 H LYS A 70 3.465 6.595 -9.366 1.00 0.00 H new ATOM 0 HA LYS A 70 2.600 5.692 -6.730 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.141 6.231 -5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.591 4.604 -6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.504 4.706 -7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.276 5.196 -8.818 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.221 6.758 -8.875 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.766 7.594 -8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.474 7.787 -6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.456 6.337 -6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.225 7.478 -6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.310 8.412 -8.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.408 8.860 -6.405 1.00 0.00 H new ATOM 1123 N LEU A 71 3.757 8.104 -5.891 1.00 0.00 N ATOM 1124 CA LEU A 71 3.760 9.565 -5.621 1.00 0.00 C ATOM 1125 C LEU A 71 4.876 9.911 -4.632 1.00 0.00 C ATOM 1126 O LEU A 71 5.374 9.068 -3.913 1.00 0.00 O ATOM 1127 CB LEU A 71 2.411 9.983 -5.025 1.00 0.00 C ATOM 1128 CG LEU A 71 1.922 8.931 -4.019 1.00 0.00 C ATOM 1129 CD1 LEU A 71 3.014 8.644 -2.988 1.00 0.00 C ATOM 1130 CD2 LEU A 71 0.678 9.460 -3.297 1.00 0.00 C ATOM 0 H LEU A 71 4.044 7.516 -5.108 1.00 0.00 H new ATOM 0 HA LEU A 71 3.928 10.097 -6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.508 10.950 -4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.676 10.104 -5.821 1.00 0.00 H new ATOM 0 HG LEU A 71 1.681 8.012 -4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.658 7.897 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.903 8.269 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.261 9.562 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.328 8.715 -2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.927 10.381 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.108 9.661 -4.025 1.00 0.00 H new ATOM 1142 N GLU A 72 5.248 11.155 -4.581 1.00 0.00 N ATOM 1143 CA GLU A 72 6.303 11.593 -3.629 1.00 0.00 C ATOM 1144 C GLU A 72 5.839 12.912 -3.016 1.00 0.00 C ATOM 1145 O GLU A 72 6.098 13.979 -3.536 1.00 0.00 O ATOM 1146 CB GLU A 72 7.629 11.791 -4.371 1.00 0.00 C ATOM 1147 CG GLU A 72 8.788 11.268 -3.513 1.00 0.00 C ATOM 1148 CD GLU A 72 10.026 11.079 -4.392 1.00 0.00 C ATOM 1149 OE1 GLU A 72 10.037 11.618 -5.487 1.00 0.00 O ATOM 1150 OE2 GLU A 72 10.940 10.400 -3.955 1.00 0.00 O ATOM 0 H GLU A 72 4.862 11.897 -5.165 1.00 0.00 H new ATOM 0 HA GLU A 72 6.462 10.844 -2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.604 11.265 -5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.777 12.848 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.004 11.970 -2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.512 10.322 -3.047 1.00 0.00 H new ATOM 1157 N TYR A 73 5.131 12.842 -1.922 1.00 0.00 N ATOM 1158 CA TYR A 73 4.619 14.079 -1.280 1.00 0.00 C ATOM 1159 C TYR A 73 5.707 14.667 -0.392 1.00 0.00 C ATOM 1160 O TYR A 73 6.184 14.033 0.528 1.00 0.00 O ATOM 1161 CB TYR A 73 3.384 13.738 -0.444 1.00 0.00 C ATOM 1162 CG TYR A 73 2.274 14.709 -0.763 1.00 0.00 C ATOM 1163 CD1 TYR A 73 2.574 16.044 -1.065 1.00 0.00 C ATOM 1164 CD2 TYR A 73 0.944 14.274 -0.762 1.00 0.00 C ATOM 1165 CE1 TYR A 73 1.543 16.941 -1.364 1.00 0.00 C ATOM 1166 CE2 TYR A 73 -0.088 15.171 -1.061 1.00 0.00 C ATOM 1167 CZ TYR A 73 0.212 16.506 -1.362 1.00 0.00 C ATOM 1168 OH TYR A 73 -0.804 17.393 -1.657 1.00 0.00 O ATOM 0 H TYR A 73 4.885 11.975 -1.445 1.00 0.00 H new ATOM 0 HA TYR A 73 4.344 14.810 -2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.061 12.718 -0.654 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.627 13.783 0.618 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.600 16.380 -1.067 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.713 13.245 -0.530 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.774 17.970 -1.597 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.114 14.834 -1.060 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.666 16.929 -1.613 1.00 0.00 H new ATOM 1178 N GLU A 74 6.119 15.870 -0.670 1.00 0.00 N ATOM 1179 CA GLU A 74 7.192 16.488 0.150 1.00 0.00 C ATOM 1180 C GLU A 74 6.621 17.660 0.955 1.00 0.00 C ATOM 1181 O GLU A 74 5.629 18.254 0.580 1.00 0.00 O ATOM 1182 CB GLU A 74 8.289 17.007 -0.779 1.00 0.00 C ATOM 1183 CG GLU A 74 9.626 17.049 -0.036 1.00 0.00 C ATOM 1184 CD GLU A 74 10.576 18.009 -0.754 1.00 0.00 C ATOM 1185 OE1 GLU A 74 10.484 18.106 -1.968 1.00 0.00 O ATOM 1186 OE2 GLU A 74 11.381 18.631 -0.080 1.00 0.00 O ATOM 0 H GLU A 74 5.760 16.450 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 74 7.599 15.745 0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.370 16.363 -1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.032 18.003 -1.138 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.473 17.374 0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.063 16.051 0.006 1.00 0.00 H new ATOM 1193 N PHE A 75 7.242 18.008 2.052 1.00 0.00 N ATOM 1194 CA PHE A 75 6.728 19.154 2.857 1.00 0.00 C ATOM 1195 C PHE A 75 7.929 20.045 3.313 1.00 0.00 C ATOM 1196 O PHE A 75 8.562 20.615 2.446 1.00 0.00 O ATOM 1197 CB PHE A 75 5.865 18.606 3.997 1.00 0.00 C ATOM 1198 CG PHE A 75 4.656 17.911 3.418 1.00 0.00 C ATOM 1199 CD1 PHE A 75 3.686 18.651 2.731 1.00 0.00 C ATOM 1200 CD2 PHE A 75 4.503 16.528 3.573 1.00 0.00 C ATOM 1201 CE1 PHE A 75 2.564 18.007 2.198 1.00 0.00 C ATOM 1202 CE2 PHE A 75 3.381 15.883 3.039 1.00 0.00 C ATOM 1203 CZ PHE A 75 2.411 16.623 2.352 1.00 0.00 C ATOM 0 H PHE A 75 8.076 17.552 2.422 1.00 0.00 H new ATOM 0 HA PHE A 75 6.082 19.809 2.272 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.443 17.909 4.604 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.552 19.417 4.654 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.804 19.718 2.613 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.251 15.958 4.105 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.816 18.577 1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.264 14.816 3.157 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.545 16.127 1.941 1.00 0.00 H new ATOM 1213 N PRO A 76 8.259 20.187 4.601 1.00 0.00 N ATOM 1214 CA PRO A 76 9.405 21.047 4.969 1.00 0.00 C ATOM 1215 C PRO A 76 10.693 20.484 4.366 1.00 0.00 C ATOM 1216 O PRO A 76 11.513 21.204 3.832 1.00 0.00 O ATOM 1217 CB PRO A 76 9.476 20.999 6.499 1.00 0.00 C ATOM 1218 CG PRO A 76 8.360 20.051 6.991 1.00 0.00 C ATOM 1219 CD PRO A 76 7.589 19.555 5.760 1.00 0.00 C ATOM 0 HA PRO A 76 9.287 22.066 4.600 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.453 20.642 6.826 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.344 21.996 6.920 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.787 19.211 7.539 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.691 20.572 7.676 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.620 18.468 5.688 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.539 19.841 5.812 1.00 0.00 H new ATOM 1227 N ASP A 77 10.871 19.199 4.455 1.00 0.00 N ATOM 1228 CA ASP A 77 12.097 18.565 3.897 1.00 0.00 C ATOM 1229 C ASP A 77 11.927 17.049 3.956 1.00 0.00 C ATOM 1230 O ASP A 77 12.883 16.311 4.099 1.00 0.00 O ATOM 1231 CB ASP A 77 13.313 18.977 4.732 1.00 0.00 C ATOM 1232 CG ASP A 77 14.515 19.196 3.812 1.00 0.00 C ATOM 1233 OD1 ASP A 77 15.034 18.216 3.305 1.00 0.00 O ATOM 1234 OD2 ASP A 77 14.896 20.341 3.630 1.00 0.00 O ATOM 0 H ASP A 77 10.215 18.553 4.894 1.00 0.00 H new ATOM 0 HA ASP A 77 12.248 18.886 2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.094 19.890 5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.541 18.205 5.467 1.00 0.00 H new ATOM 1239 N ARG A 78 10.713 16.581 3.862 1.00 0.00 N ATOM 1240 CA ARG A 78 10.469 15.114 3.929 1.00 0.00 C ATOM 1241 C ARG A 78 10.112 14.581 2.541 1.00 0.00 C ATOM 1242 O ARG A 78 8.958 14.506 2.171 1.00 0.00 O ATOM 1243 CB ARG A 78 9.313 14.844 4.895 1.00 0.00 C ATOM 1244 CG ARG A 78 9.868 14.535 6.288 1.00 0.00 C ATOM 1245 CD ARG A 78 10.874 13.384 6.195 1.00 0.00 C ATOM 1246 NE ARG A 78 10.721 12.488 7.378 1.00 0.00 N ATOM 1247 CZ ARG A 78 10.439 12.990 8.550 1.00 0.00 C ATOM 1248 NH1 ARG A 78 11.238 13.867 9.093 1.00 0.00 N ATOM 1249 NH2 ARG A 78 9.359 12.614 9.178 1.00 0.00 N ATOM 0 H ARG A 78 9.878 17.154 3.741 1.00 0.00 H new ATOM 0 HA ARG A 78 11.370 14.611 4.280 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.653 15.711 4.940 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.715 14.006 4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.350 15.420 6.703 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.055 14.268 6.964 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.713 12.820 5.276 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.890 13.778 6.153 1.00 0.00 H new ATOM 0 HE ARG A 78 10.837 11.480 7.271 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.083 14.160 8.602 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.018 14.259 10.008 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.735 11.928 8.753 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.139 13.006 10.093 1.00 0.00 H new ATOM 1263 N HIS A 79 11.095 14.199 1.773 1.00 0.00 N ATOM 1264 CA HIS A 79 10.816 13.657 0.413 1.00 0.00 C ATOM 1265 C HIS A 79 10.382 12.198 0.544 1.00 0.00 C ATOM 1266 O HIS A 79 11.165 11.292 0.349 1.00 0.00 O ATOM 1267 CB HIS A 79 12.087 13.738 -0.436 1.00 0.00 C ATOM 1268 CG HIS A 79 11.752 14.276 -1.801 1.00 0.00 C ATOM 1269 ND1 HIS A 79 10.635 14.905 -2.291 1.00 0.00 N flip ATOM 1270 CD2 HIS A 79 12.636 14.193 -2.866 1.00 0.00 C flip ATOM 1271 CE1 HIS A 79 10.820 15.210 -3.636 1.00 0.00 C flip ATOM 1272 NE2 HIS A 79 12.041 14.759 -3.931 1.00 0.00 N flip ATOM 0 H HIS A 79 12.082 14.239 2.029 1.00 0.00 H new ATOM 0 HA HIS A 79 10.026 14.237 -0.065 1.00 0.00 H new ATOM 0 HB2 HIS A 79 12.820 14.382 0.050 1.00 0.00 H new ATOM 0 HB3 HIS A 79 12.540 12.751 -0.525 1.00 0.00 H new ATOM 0 HD2 HIS A 79 13.622 13.754 -2.844 1.00 0.00 H new ATOM 0 HE1 HIS A 79 10.125 15.705 -4.298 1.00 0.00 H new ATOM 0 HE2 HIS A 79 12.471 14.834 -4.853 1.00 0.00 H new ATOM 1280 N ILE A 80 9.146 11.957 0.889 1.00 0.00 N ATOM 1281 CA ILE A 80 8.696 10.546 1.045 1.00 0.00 C ATOM 1282 C ILE A 80 8.270 9.963 -0.300 1.00 0.00 C ATOM 1283 O ILE A 80 7.707 10.636 -1.140 1.00 0.00 O ATOM 1284 CB ILE A 80 7.508 10.466 2.008 1.00 0.00 C ATOM 1285 CG1 ILE A 80 7.858 11.074 3.378 1.00 0.00 C ATOM 1286 CG2 ILE A 80 7.130 8.998 2.201 1.00 0.00 C ATOM 1287 CD1 ILE A 80 9.363 10.981 3.650 1.00 0.00 C ATOM 0 H ILE A 80 8.436 12.668 1.068 1.00 0.00 H new ATOM 0 HA ILE A 80 9.534 9.974 1.443 1.00 0.00 H new ATOM 0 HB ILE A 80 6.678 11.030 1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 80 7.543 12.117 3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.310 10.552 4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.285 8.927 2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.856 8.563 1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.979 8.455 2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 80 9.584 11.417 4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.670 9.935 3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.907 11.524 2.877 1.00 0.00 H new ATOM 1299 N THR A 81 8.521 8.699 -0.489 1.00 0.00 N ATOM 1300 CA THR A 81 8.126 8.023 -1.751 1.00 0.00 C ATOM 1301 C THR A 81 7.186 6.871 -1.403 1.00 0.00 C ATOM 1302 O THR A 81 7.398 6.164 -0.439 1.00 0.00 O ATOM 1303 CB THR A 81 9.363 7.448 -2.436 1.00 0.00 C ATOM 1304 OG1 THR A 81 10.504 8.212 -2.072 1.00 0.00 O ATOM 1305 CG2 THR A 81 9.178 7.489 -3.954 1.00 0.00 C ATOM 0 H THR A 81 8.990 8.098 0.189 1.00 0.00 H new ATOM 0 HA THR A 81 7.639 8.737 -2.415 1.00 0.00 H new ATOM 0 HB THR A 81 9.504 6.414 -2.120 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.631 8.938 -2.718 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.063 7.078 -4.440 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.305 6.898 -4.230 1.00 0.00 H new ATOM 0 HG23 THR A 81 9.034 8.521 -4.275 1.00 0.00 H new ATOM 1313 N LEU A 82 6.156 6.665 -2.170 1.00 0.00 N ATOM 1314 CA LEU A 82 5.227 5.544 -1.859 1.00 0.00 C ATOM 1315 C LEU A 82 5.102 4.626 -3.077 1.00 0.00 C ATOM 1316 O LEU A 82 4.098 4.626 -3.761 1.00 0.00 O ATOM 1317 CB LEU A 82 3.851 6.104 -1.497 1.00 0.00 C ATOM 1318 CG LEU A 82 3.276 5.311 -0.322 1.00 0.00 C ATOM 1319 CD1 LEU A 82 3.487 6.097 0.971 1.00 0.00 C ATOM 1320 CD2 LEU A 82 1.779 5.088 -0.543 1.00 0.00 C ATOM 0 H LEU A 82 5.917 7.218 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 82 5.619 4.974 -1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.933 7.159 -1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.182 6.041 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 82 3.781 4.348 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.078 5.534 1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.553 6.259 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.980 7.059 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.368 4.523 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.274 6.051 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.627 4.530 -1.467 1.00 0.00 H new ATOM 1332 N TRP A 83 6.108 3.838 -3.356 1.00 0.00 N ATOM 1333 CA TRP A 83 6.016 2.927 -4.537 1.00 0.00 C ATOM 1334 C TRP A 83 4.735 2.087 -4.437 1.00 0.00 C ATOM 1335 O TRP A 83 4.598 1.257 -3.561 1.00 0.00 O ATOM 1336 CB TRP A 83 7.224 1.990 -4.566 1.00 0.00 C ATOM 1337 CG TRP A 83 8.487 2.791 -4.584 1.00 0.00 C ATOM 1338 CD1 TRP A 83 9.249 3.059 -3.499 1.00 0.00 C ATOM 1339 CD2 TRP A 83 9.146 3.424 -5.718 1.00 0.00 C ATOM 1340 NE1 TRP A 83 10.339 3.815 -3.897 1.00 0.00 N ATOM 1341 CE2 TRP A 83 10.318 4.068 -5.255 1.00 0.00 C ATOM 1342 CE3 TRP A 83 8.844 3.501 -7.089 1.00 0.00 C ATOM 1343 CZ2 TRP A 83 11.162 4.762 -6.123 1.00 0.00 C ATOM 1344 CZ3 TRP A 83 9.690 4.200 -7.965 1.00 0.00 C ATOM 1345 CH2 TRP A 83 10.847 4.829 -7.484 1.00 0.00 C ATOM 0 H TRP A 83 6.978 3.785 -2.826 1.00 0.00 H new ATOM 0 HA TRP A 83 5.997 3.526 -5.447 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.210 1.336 -3.694 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.177 1.348 -5.446 1.00 0.00 H new ATOM 0 HD1 TRP A 83 9.042 2.737 -2.489 1.00 0.00 H new ATOM 0 HE1 TRP A 83 11.068 4.145 -3.265 1.00 0.00 H new ATOM 0 HE3 TRP A 83 7.956 3.020 -7.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 12.052 5.244 -5.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 9.448 4.253 -9.016 1.00 0.00 H new ATOM 0 HH2 TRP A 83 11.494 5.364 -8.163 1.00 0.00 H new ATOM 1356 N PHE A 84 3.803 2.283 -5.336 1.00 0.00 N ATOM 1357 CA PHE A 84 2.547 1.476 -5.293 1.00 0.00 C ATOM 1358 C PHE A 84 2.758 0.215 -6.120 1.00 0.00 C ATOM 1359 O PHE A 84 2.298 0.119 -7.235 1.00 0.00 O ATOM 1360 CB PHE A 84 1.387 2.262 -5.907 1.00 0.00 C ATOM 1361 CG PHE A 84 0.844 3.257 -4.909 1.00 0.00 C ATOM 1362 CD1 PHE A 84 1.552 4.431 -4.628 1.00 0.00 C ATOM 1363 CD2 PHE A 84 -0.378 3.005 -4.269 1.00 0.00 C ATOM 1364 CE1 PHE A 84 1.038 5.352 -3.706 1.00 0.00 C ATOM 1365 CE2 PHE A 84 -0.891 3.927 -3.349 1.00 0.00 C ATOM 1366 CZ PHE A 84 -0.183 5.101 -3.067 1.00 0.00 C ATOM 0 H PHE A 84 3.858 2.964 -6.094 1.00 0.00 H new ATOM 0 HA PHE A 84 2.311 1.235 -4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.725 2.782 -6.803 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.597 1.577 -6.215 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.493 4.627 -5.121 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.924 2.099 -4.486 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.584 6.258 -3.487 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.833 3.733 -2.857 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.578 5.813 -2.357 1.00 0.00 H new ATOM 1376 N TRP A 85 3.437 -0.756 -5.591 1.00 0.00 N ATOM 1377 CA TRP A 85 3.657 -1.998 -6.375 1.00 0.00 C ATOM 1378 C TRP A 85 2.353 -2.807 -6.417 1.00 0.00 C ATOM 1379 O TRP A 85 2.128 -3.680 -5.605 1.00 0.00 O ATOM 1380 CB TRP A 85 4.770 -2.816 -5.716 1.00 0.00 C ATOM 1381 CG TRP A 85 6.055 -2.053 -5.813 1.00 0.00 C ATOM 1382 CD1 TRP A 85 6.678 -1.441 -4.779 1.00 0.00 C ATOM 1383 CD2 TRP A 85 6.877 -1.807 -6.990 1.00 0.00 C ATOM 1384 NE1 TRP A 85 7.830 -0.832 -5.248 1.00 0.00 N ATOM 1385 CE2 TRP A 85 7.996 -1.031 -6.605 1.00 0.00 C ATOM 1386 CE3 TRP A 85 6.761 -2.179 -8.341 1.00 0.00 C ATOM 1387 CZ2 TRP A 85 8.965 -0.636 -7.530 1.00 0.00 C ATOM 1388 CZ3 TRP A 85 7.734 -1.785 -9.273 1.00 0.00 C ATOM 1389 CH2 TRP A 85 8.833 -1.015 -8.868 1.00 0.00 C ATOM 0 H TRP A 85 3.847 -0.746 -4.657 1.00 0.00 H new ATOM 0 HA TRP A 85 3.953 -1.751 -7.395 1.00 0.00 H new ATOM 0 HB2 TRP A 85 4.526 -3.012 -4.672 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.868 -3.784 -6.208 1.00 0.00 H new ATOM 0 HD1 TRP A 85 6.333 -1.429 -3.756 1.00 0.00 H new ATOM 0 HE1 TRP A 85 8.476 -0.302 -4.664 1.00 0.00 H new ATOM 0 HE3 TRP A 85 5.918 -2.772 -8.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 9.810 -0.042 -7.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 7.635 -2.077 -10.308 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.578 -0.715 -9.590 1.00 0.00 H new ATOM 1400 N LEU A 86 1.476 -2.525 -7.346 1.00 0.00 N ATOM 1401 CA LEU A 86 0.196 -3.292 -7.380 1.00 0.00 C ATOM 1402 C LEU A 86 0.463 -4.738 -7.787 1.00 0.00 C ATOM 1403 O LEU A 86 1.035 -5.010 -8.815 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.779 -2.660 -8.374 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.647 -1.617 -7.664 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -2.251 -2.210 -6.384 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -0.787 -0.401 -7.311 1.00 0.00 C ATOM 0 H LEU A 86 1.586 -1.813 -8.068 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.244 -3.269 -6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.228 -2.192 -9.190 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.410 -3.430 -8.817 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.458 -1.316 -8.327 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.866 -1.458 -5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.867 -3.072 -6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.450 -2.522 -5.714 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.401 0.344 -6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.026 -0.709 -6.653 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.373 0.029 -8.223 1.00 0.00 H new ATOM 1419 N VAL A 87 0.035 -5.667 -6.982 1.00 0.00 N ATOM 1420 CA VAL A 87 0.246 -7.108 -7.312 1.00 0.00 C ATOM 1421 C VAL A 87 -1.133 -7.731 -7.584 1.00 0.00 C ATOM 1422 O VAL A 87 -2.133 -7.052 -7.496 1.00 0.00 O ATOM 1423 CB VAL A 87 0.955 -7.803 -6.127 1.00 0.00 C ATOM 1424 CG1 VAL A 87 1.713 -6.756 -5.300 1.00 0.00 C ATOM 1425 CG2 VAL A 87 -0.062 -8.507 -5.218 1.00 0.00 C ATOM 0 H VAL A 87 -0.455 -5.493 -6.104 1.00 0.00 H new ATOM 0 HA VAL A 87 0.876 -7.228 -8.193 1.00 0.00 H new ATOM 0 HB VAL A 87 1.646 -8.544 -6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.213 -7.245 -4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.455 -6.263 -5.929 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.010 -6.015 -4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.461 -8.989 -4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.766 -7.774 -4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.604 -9.259 -5.792 1.00 0.00 H new ATOM 1435 N GLU A 88 -1.216 -8.998 -7.921 1.00 0.00 N ATOM 1436 CA GLU A 88 -2.574 -9.568 -8.194 1.00 0.00 C ATOM 1437 C GLU A 88 -2.609 -11.105 -8.097 1.00 0.00 C ATOM 1438 O GLU A 88 -3.362 -11.737 -8.810 1.00 0.00 O ATOM 1439 CB GLU A 88 -3.003 -9.165 -9.610 1.00 0.00 C ATOM 1440 CG GLU A 88 -3.372 -7.678 -9.650 1.00 0.00 C ATOM 1441 CD GLU A 88 -4.420 -7.442 -10.740 1.00 0.00 C ATOM 1442 OE1 GLU A 88 -5.584 -7.705 -10.482 1.00 0.00 O ATOM 1443 OE2 GLU A 88 -4.041 -7.002 -11.813 1.00 0.00 O ATOM 0 H GLU A 88 -0.431 -9.642 -8.016 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.249 -9.172 -7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.195 -9.365 -10.313 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.856 -9.767 -9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.761 -7.363 -8.682 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.484 -7.077 -9.848 1.00 0.00 H new ATOM 1450 N ARG A 89 -1.844 -11.734 -7.237 1.00 0.00 N ATOM 1451 CA ARG A 89 -1.942 -13.231 -7.180 1.00 0.00 C ATOM 1452 C ARG A 89 -1.380 -13.806 -5.868 1.00 0.00 C ATOM 1453 O ARG A 89 -0.650 -14.770 -5.874 1.00 0.00 O ATOM 1454 CB ARG A 89 -1.221 -13.840 -8.398 1.00 0.00 C ATOM 1455 CG ARG A 89 0.271 -14.061 -8.114 1.00 0.00 C ATOM 1456 CD ARG A 89 0.564 -15.567 -8.094 1.00 0.00 C ATOM 1457 NE ARG A 89 0.262 -16.133 -9.439 1.00 0.00 N ATOM 1458 CZ ARG A 89 0.651 -17.339 -9.750 1.00 0.00 C ATOM 1459 NH1 ARG A 89 1.925 -17.614 -9.837 1.00 0.00 N ATOM 1460 NH2 ARG A 89 -0.235 -18.269 -9.981 1.00 0.00 N ATOM 0 H ARG A 89 -1.181 -11.300 -6.595 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.998 -13.499 -7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.687 -14.789 -8.661 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.335 -13.180 -9.258 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.875 -13.571 -8.878 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.542 -13.613 -7.158 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.608 -15.745 -7.835 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.041 -16.059 -7.333 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.252 -15.574 -10.120 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.617 -16.886 -9.662 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.228 -18.557 -10.080 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.230 -18.053 -9.918 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.067 -19.212 -10.224 1.00 0.00 H new ATOM 1474 N TRP A 90 -1.731 -13.263 -4.733 1.00 0.00 N ATOM 1475 CA TRP A 90 -1.201 -13.854 -3.468 1.00 0.00 C ATOM 1476 C TRP A 90 -1.865 -15.214 -3.237 1.00 0.00 C ATOM 1477 O TRP A 90 -2.915 -15.500 -3.778 1.00 0.00 O ATOM 1478 CB TRP A 90 -1.474 -12.922 -2.268 1.00 0.00 C ATOM 1479 CG TRP A 90 -2.929 -12.948 -1.876 1.00 0.00 C ATOM 1480 CD1 TRP A 90 -3.608 -14.048 -1.473 1.00 0.00 C ATOM 1481 CD2 TRP A 90 -3.884 -11.843 -1.804 1.00 0.00 C ATOM 1482 NE1 TRP A 90 -4.912 -13.699 -1.197 1.00 0.00 N ATOM 1483 CE2 TRP A 90 -5.133 -12.355 -1.380 1.00 0.00 C ATOM 1484 CE3 TRP A 90 -3.797 -10.465 -2.072 1.00 0.00 C ATOM 1485 CZ2 TRP A 90 -6.251 -11.538 -1.226 1.00 0.00 C ATOM 1486 CZ3 TRP A 90 -4.925 -9.638 -1.913 1.00 0.00 C ATOM 1487 CH2 TRP A 90 -6.145 -10.175 -1.493 1.00 0.00 C ATOM 0 H TRP A 90 -2.346 -12.456 -4.625 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.122 -13.978 -3.559 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.861 -13.228 -1.420 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.181 -11.903 -2.522 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -3.193 -15.041 -1.382 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -5.628 -14.359 -0.893 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.861 -10.039 -2.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -7.192 -11.958 -0.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.847 -8.580 -2.117 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -7.006 -9.533 -1.375 1.00 0.00 H new ATOM 1498 N GLU A 91 -1.276 -16.046 -2.422 1.00 0.00 N ATOM 1499 CA GLU A 91 -1.895 -17.379 -2.141 1.00 0.00 C ATOM 1500 C GLU A 91 -2.821 -17.242 -0.932 1.00 0.00 C ATOM 1501 O GLU A 91 -2.536 -16.492 -0.030 1.00 0.00 O ATOM 1502 CB GLU A 91 -0.791 -18.413 -1.838 1.00 0.00 C ATOM 1503 CG GLU A 91 -1.154 -19.263 -0.606 1.00 0.00 C ATOM 1504 CD GLU A 91 -0.388 -20.584 -0.652 1.00 0.00 C ATOM 1505 OE1 GLU A 91 0.544 -20.679 -1.433 1.00 0.00 O ATOM 1506 OE2 GLU A 91 -0.746 -21.481 0.094 1.00 0.00 O ATOM 0 H GLU A 91 -0.396 -15.864 -1.939 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.463 -17.716 -3.008 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.648 -19.062 -2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 91 0.155 -17.900 -1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.910 -18.721 0.307 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.227 -19.454 -0.586 1.00 0.00 H new ATOM 1513 N GLY A 92 -3.901 -17.983 -0.909 1.00 0.00 N ATOM 1514 CA GLY A 92 -4.851 -17.933 0.248 1.00 0.00 C ATOM 1515 C GLY A 92 -4.956 -16.513 0.809 1.00 0.00 C ATOM 1516 O GLY A 92 -5.873 -15.784 0.499 1.00 0.00 O ATOM 0 H GLY A 92 -4.169 -18.629 -1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.836 -18.276 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -4.514 -18.613 1.030 1.00 0.00 H new ATOM 1520 N GLU A 93 -4.033 -16.124 1.643 1.00 0.00 N ATOM 1521 CA GLU A 93 -4.079 -14.760 2.231 1.00 0.00 C ATOM 1522 C GLU A 93 -2.908 -13.916 1.696 1.00 0.00 C ATOM 1523 O GLU A 93 -1.920 -14.452 1.242 1.00 0.00 O ATOM 1524 CB GLU A 93 -3.977 -14.889 3.746 1.00 0.00 C ATOM 1525 CG GLU A 93 -2.879 -15.891 4.095 1.00 0.00 C ATOM 1526 CD GLU A 93 -3.516 -17.239 4.435 1.00 0.00 C ATOM 1527 OE1 GLU A 93 -4.670 -17.241 4.835 1.00 0.00 O ATOM 1528 OE2 GLU A 93 -2.845 -18.245 4.285 1.00 0.00 O ATOM 0 H GLU A 93 -3.245 -16.697 1.943 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.012 -14.266 1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.755 -13.919 4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.930 -15.218 4.159 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.192 -16.002 3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.295 -15.528 4.941 1.00 0.00 H new ATOM 1535 N PRO A 94 -3.067 -12.615 1.756 1.00 0.00 N ATOM 1536 CA PRO A 94 -2.042 -11.655 1.287 1.00 0.00 C ATOM 1537 C PRO A 94 -0.892 -11.554 2.300 1.00 0.00 C ATOM 1538 O PRO A 94 -0.693 -12.429 3.113 1.00 0.00 O ATOM 1539 CB PRO A 94 -2.785 -10.318 1.208 1.00 0.00 C ATOM 1540 CG PRO A 94 -4.158 -10.511 1.902 1.00 0.00 C ATOM 1541 CD PRO A 94 -4.294 -11.994 2.273 1.00 0.00 C ATOM 0 HA PRO A 94 -1.601 -11.954 0.336 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.213 -9.531 1.700 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.919 -10.014 0.170 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -4.226 -9.887 2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -4.967 -10.208 1.238 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.383 -12.127 3.351 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.183 -12.436 1.823 1.00 0.00 H new ATOM 1549 N TRP A 95 -0.135 -10.483 2.265 1.00 0.00 N ATOM 1550 CA TRP A 95 0.992 -10.343 3.234 1.00 0.00 C ATOM 1551 C TRP A 95 1.713 -9.000 3.056 1.00 0.00 C ATOM 1552 O TRP A 95 2.922 -8.937 3.137 1.00 0.00 O ATOM 1553 CB TRP A 95 2.003 -11.468 2.998 1.00 0.00 C ATOM 1554 CG TRP A 95 2.651 -11.286 1.660 1.00 0.00 C ATOM 1555 CD1 TRP A 95 2.203 -10.461 0.686 1.00 0.00 C ATOM 1556 CD2 TRP A 95 3.851 -11.927 1.132 1.00 0.00 C ATOM 1557 NE1 TRP A 95 3.057 -10.547 -0.399 1.00 0.00 N ATOM 1558 CE2 TRP A 95 4.084 -11.441 -0.175 1.00 0.00 C ATOM 1559 CE3 TRP A 95 4.748 -12.873 1.656 1.00 0.00 C ATOM 1560 CZ2 TRP A 95 5.170 -11.876 -0.936 1.00 0.00 C ATOM 1561 CZ3 TRP A 95 5.840 -13.316 0.893 1.00 0.00 C ATOM 1562 CH2 TRP A 95 6.051 -12.818 -0.400 1.00 0.00 C ATOM 0 H TRP A 95 -0.249 -9.707 1.612 1.00 0.00 H new ATOM 0 HA TRP A 95 0.580 -10.394 4.242 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.759 -11.463 3.783 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.503 -12.436 3.043 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.323 -9.838 0.746 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.941 -10.014 -1.261 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.596 -13.262 2.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.328 -11.487 -1.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.522 -14.045 1.305 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.894 -13.162 -0.981 1.00 0.00 H new ATOM 1573 N GLY A 96 1.008 -7.927 2.813 1.00 0.00 N ATOM 1574 CA GLY A 96 1.714 -6.622 2.626 1.00 0.00 C ATOM 1575 C GLY A 96 1.183 -5.552 3.590 1.00 0.00 C ATOM 1576 O GLY A 96 1.718 -4.464 3.666 1.00 0.00 O ATOM 0 H GLY A 96 -0.009 -7.894 2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.783 -6.759 2.786 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.587 -6.282 1.598 1.00 0.00 H new ATOM 1580 N LYS A 97 0.134 -5.830 4.312 1.00 0.00 N ATOM 1581 CA LYS A 97 -0.416 -4.792 5.247 1.00 0.00 C ATOM 1582 C LYS A 97 0.600 -4.444 6.340 1.00 0.00 C ATOM 1583 O LYS A 97 0.777 -5.173 7.296 1.00 0.00 O ATOM 1584 CB LYS A 97 -1.716 -5.266 5.919 1.00 0.00 C ATOM 1585 CG LYS A 97 -1.859 -6.789 5.850 1.00 0.00 C ATOM 1586 CD LYS A 97 -0.605 -7.467 6.402 1.00 0.00 C ATOM 1587 CE LYS A 97 -0.768 -7.699 7.905 1.00 0.00 C ATOM 1588 NZ LYS A 97 0.551 -7.531 8.578 1.00 0.00 N ATOM 0 H LYS A 97 -0.366 -6.719 4.301 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.627 -3.909 4.644 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.727 -4.945 6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.571 -4.797 5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.732 -7.105 6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.023 -7.099 4.818 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.438 -8.416 5.893 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.270 -6.846 6.212 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.491 -6.995 8.317 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.158 -8.700 8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.422 -7.571 9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.193 -8.293 8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.960 -6.612 8.315 1.00 0.00 H new ATOM 1602 N GLU A 98 1.245 -3.315 6.224 1.00 0.00 N ATOM 1603 CA GLU A 98 2.222 -2.906 7.274 1.00 0.00 C ATOM 1604 C GLU A 98 1.449 -2.548 8.543 1.00 0.00 C ATOM 1605 O GLU A 98 1.009 -1.428 8.713 1.00 0.00 O ATOM 1606 CB GLU A 98 3.000 -1.682 6.800 1.00 0.00 C ATOM 1607 CG GLU A 98 3.866 -1.149 7.946 1.00 0.00 C ATOM 1608 CD GLU A 98 4.900 -2.204 8.339 1.00 0.00 C ATOM 1609 OE1 GLU A 98 5.942 -2.243 7.708 1.00 0.00 O ATOM 1610 OE2 GLU A 98 4.632 -2.955 9.262 1.00 0.00 O ATOM 0 H GLU A 98 1.138 -2.659 5.450 1.00 0.00 H new ATOM 0 HA GLU A 98 2.918 -3.721 7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.627 -1.945 5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.310 -0.909 6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.367 -0.230 7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.240 -0.901 8.803 1.00 0.00 H new ATOM 1617 N GLY A 99 1.258 -3.487 9.428 1.00 0.00 N ATOM 1618 CA GLY A 99 0.490 -3.185 10.665 1.00 0.00 C ATOM 1619 C GLY A 99 -0.928 -2.761 10.268 1.00 0.00 C ATOM 1620 O GLY A 99 -1.671 -2.209 11.056 1.00 0.00 O ATOM 0 H GLY A 99 1.599 -4.445 9.348 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.456 -4.061 11.312 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.979 -2.391 11.229 1.00 0.00 H new ATOM 1624 N GLN A 100 -1.301 -3.022 9.042 1.00 0.00 N ATOM 1625 CA GLN A 100 -2.660 -2.648 8.562 1.00 0.00 C ATOM 1626 C GLN A 100 -3.579 -3.862 8.674 1.00 0.00 C ATOM 1627 O GLN A 100 -3.142 -4.980 8.486 1.00 0.00 O ATOM 1628 CB GLN A 100 -2.570 -2.233 7.089 1.00 0.00 C ATOM 1629 CG GLN A 100 -3.061 -0.798 6.916 1.00 0.00 C ATOM 1630 CD GLN A 100 -3.207 -0.489 5.426 1.00 0.00 C ATOM 1631 OE1 GLN A 100 -2.570 0.409 4.914 1.00 0.00 O ATOM 1632 NE2 GLN A 100 -4.028 -1.201 4.704 1.00 0.00 N ATOM 0 H GLN A 100 -0.714 -3.483 8.347 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.052 -1.826 9.161 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.540 -2.317 6.742 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -3.169 -2.907 6.476 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.017 -0.665 7.422 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.358 -0.103 7.376 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.563 -1.955 5.134 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.135 -1.003 3.709 1.00 0.00 H new ATOM 1641 N PRO A 101 -4.830 -3.617 8.957 1.00 0.00 N ATOM 1642 CA PRO A 101 -5.811 -4.700 9.068 1.00 0.00 C ATOM 1643 C PRO A 101 -5.847 -5.454 7.743 1.00 0.00 C ATOM 1644 O PRO A 101 -6.248 -6.594 7.679 1.00 0.00 O ATOM 1645 CB PRO A 101 -7.144 -3.996 9.343 1.00 0.00 C ATOM 1646 CG PRO A 101 -6.837 -2.494 9.561 1.00 0.00 C ATOM 1647 CD PRO A 101 -5.366 -2.264 9.183 1.00 0.00 C ATOM 0 HA PRO A 101 -5.581 -5.421 9.852 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.829 -4.130 8.506 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.628 -4.421 10.222 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.492 -1.876 8.947 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.015 -2.213 10.599 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.277 -1.647 8.289 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -4.827 -1.751 9.979 1.00 0.00 H new ATOM 1655 N GLY A 102 -5.404 -4.806 6.692 1.00 0.00 N ATOM 1656 CA GLY A 102 -5.370 -5.437 5.340 1.00 0.00 C ATOM 1657 C GLY A 102 -6.589 -6.328 5.137 1.00 0.00 C ATOM 1658 O GLY A 102 -6.672 -7.415 5.664 1.00 0.00 O ATOM 0 H GLY A 102 -5.058 -3.847 6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.345 -4.664 4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.459 -6.026 5.230 1.00 0.00 H new ATOM 1662 N GLU A 103 -7.541 -5.897 4.369 1.00 0.00 N ATOM 1663 CA GLU A 103 -8.728 -6.781 4.160 1.00 0.00 C ATOM 1664 C GLU A 103 -9.209 -6.696 2.715 1.00 0.00 C ATOM 1665 O GLU A 103 -9.389 -5.625 2.172 1.00 0.00 O ATOM 1666 CB GLU A 103 -9.868 -6.393 5.114 1.00 0.00 C ATOM 1667 CG GLU A 103 -9.893 -4.880 5.340 1.00 0.00 C ATOM 1668 CD GLU A 103 -10.020 -4.595 6.839 1.00 0.00 C ATOM 1669 OE1 GLU A 103 -9.744 -5.492 7.618 1.00 0.00 O ATOM 1670 OE2 GLU A 103 -10.389 -3.484 7.181 1.00 0.00 O ATOM 0 H GLU A 103 -7.559 -4.999 3.886 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.428 -7.807 4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.822 -6.720 4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.742 -6.906 6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.983 -4.427 4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.729 -4.434 4.801 1.00 0.00 H new ATOM 1677 N TRP A 104 -9.430 -7.826 2.090 1.00 0.00 N ATOM 1678 CA TRP A 104 -9.913 -7.806 0.683 1.00 0.00 C ATOM 1679 C TRP A 104 -11.041 -6.793 0.593 1.00 0.00 C ATOM 1680 O TRP A 104 -11.964 -6.808 1.382 1.00 0.00 O ATOM 1681 CB TRP A 104 -10.431 -9.188 0.276 1.00 0.00 C ATOM 1682 CG TRP A 104 -9.544 -10.245 0.853 1.00 0.00 C ATOM 1683 CD1 TRP A 104 -8.192 -10.229 0.815 1.00 0.00 C ATOM 1684 CD2 TRP A 104 -9.917 -11.468 1.552 1.00 0.00 C ATOM 1685 NE1 TRP A 104 -7.711 -11.362 1.446 1.00 0.00 N ATOM 1686 CE2 TRP A 104 -8.737 -12.159 1.918 1.00 0.00 C ATOM 1687 CE3 TRP A 104 -11.154 -12.038 1.901 1.00 0.00 C ATOM 1688 CZ2 TRP A 104 -8.783 -13.373 2.606 1.00 0.00 C ATOM 1689 CZ3 TRP A 104 -11.205 -13.260 2.593 1.00 0.00 C ATOM 1690 CH2 TRP A 104 -10.021 -13.925 2.945 1.00 0.00 C ATOM 0 H TRP A 104 -9.297 -8.753 2.493 1.00 0.00 H new ATOM 0 HA TRP A 104 -9.096 -7.537 0.013 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -11.453 -9.323 0.630 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -10.456 -9.273 -0.810 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.586 -9.457 0.365 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -6.721 -11.582 1.550 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -12.071 -11.533 1.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -7.869 -13.882 2.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -12.161 -13.689 2.855 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -10.066 -14.863 3.478 1.00 0.00 H new ATOM 1701 N MET A 105 -10.971 -5.902 -0.343 1.00 0.00 N ATOM 1702 CA MET A 105 -12.039 -4.882 -0.451 1.00 0.00 C ATOM 1703 C MET A 105 -12.654 -4.932 -1.840 1.00 0.00 C ATOM 1704 O MET A 105 -11.993 -4.676 -2.820 1.00 0.00 O ATOM 1705 CB MET A 105 -11.443 -3.496 -0.206 1.00 0.00 C ATOM 1706 CG MET A 105 -12.507 -2.589 0.412 1.00 0.00 C ATOM 1707 SD MET A 105 -13.732 -2.152 -0.848 1.00 0.00 S ATOM 1708 CE MET A 105 -15.160 -2.030 0.254 1.00 0.00 C ATOM 0 H MET A 105 -10.225 -5.834 -1.036 1.00 0.00 H new ATOM 0 HA MET A 105 -12.810 -5.084 0.292 1.00 0.00 H new ATOM 0 HB2 MET A 105 -10.582 -3.570 0.458 1.00 0.00 H new ATOM 0 HB3 MET A 105 -11.086 -3.070 -1.144 1.00 0.00 H new ATOM 0 HG2 MET A 105 -12.992 -3.096 1.246 1.00 0.00 H new ATOM 0 HG3 MET A 105 -12.044 -1.687 0.813 1.00 0.00 H new ATOM 0 HE1 MET A 105 -15.934 -2.723 -0.076 1.00 0.00 H new ATOM 0 HE2 MET A 105 -14.858 -2.281 1.271 1.00 0.00 H new ATOM 0 HE3 MET A 105 -15.550 -1.013 0.232 1.00 0.00 H new ATOM 1718 N SER A 106 -13.915 -5.249 -1.928 1.00 0.00 N ATOM 1719 CA SER A 106 -14.580 -5.295 -3.254 1.00 0.00 C ATOM 1720 C SER A 106 -14.960 -3.865 -3.639 1.00 0.00 C ATOM 1721 O SER A 106 -16.121 -3.526 -3.760 1.00 0.00 O ATOM 1722 CB SER A 106 -15.840 -6.154 -3.168 1.00 0.00 C ATOM 1723 OG SER A 106 -16.103 -6.470 -1.807 1.00 0.00 O ATOM 0 H SER A 106 -14.514 -5.479 -1.135 1.00 0.00 H new ATOM 0 HA SER A 106 -13.912 -5.726 -3.999 1.00 0.00 H new ATOM 0 HB2 SER A 106 -16.687 -5.621 -3.599 1.00 0.00 H new ATOM 0 HB3 SER A 106 -15.710 -7.068 -3.747 1.00 0.00 H new ATOM 0 HG SER A 106 -15.633 -7.296 -1.566 1.00 0.00 H new ATOM 1729 N LEU A 107 -13.983 -3.022 -3.805 1.00 0.00 N ATOM 1730 CA LEU A 107 -14.252 -1.605 -4.153 1.00 0.00 C ATOM 1731 C LEU A 107 -14.802 -1.509 -5.569 1.00 0.00 C ATOM 1732 O LEU A 107 -15.831 -0.912 -5.794 1.00 0.00 O ATOM 1733 CB LEU A 107 -12.942 -0.823 -4.065 1.00 0.00 C ATOM 1734 CG LEU A 107 -13.199 0.663 -4.311 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -11.986 1.455 -3.832 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -13.408 0.910 -5.808 1.00 0.00 C ATOM 0 H LEU A 107 -12.995 -3.260 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 107 -14.986 -1.193 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -12.491 -0.964 -3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -12.232 -1.204 -4.800 1.00 0.00 H new ATOM 0 HG LEU A 107 -14.091 0.978 -3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -12.156 2.518 -4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -11.833 1.277 -2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.102 1.136 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -13.591 1.971 -5.980 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -12.517 0.602 -6.355 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -14.265 0.333 -6.156 1.00 0.00 H new ATOM 1748 N VAL A 108 -14.096 -2.068 -6.520 1.00 0.00 N ATOM 1749 CA VAL A 108 -14.530 -2.002 -7.950 1.00 0.00 C ATOM 1750 C VAL A 108 -14.019 -0.695 -8.535 1.00 0.00 C ATOM 1751 O VAL A 108 -14.483 0.371 -8.181 1.00 0.00 O ATOM 1752 CB VAL A 108 -16.056 -2.052 -8.076 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -16.434 -1.972 -9.551 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -16.579 -3.361 -7.480 1.00 0.00 C ATOM 0 H VAL A 108 -13.225 -2.575 -6.364 1.00 0.00 H new ATOM 0 HA VAL A 108 -14.125 -2.860 -8.486 1.00 0.00 H new ATOM 0 HB VAL A 108 -16.498 -1.214 -7.537 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -17.519 -2.007 -9.651 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -16.061 -1.039 -9.972 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -15.993 -2.813 -10.086 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -17.665 -3.394 -7.571 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -16.144 -4.204 -8.016 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -16.301 -3.418 -6.428 1.00 0.00 H new ATOM 1764 N GLY A 109 -13.046 -0.756 -9.402 1.00 0.00 N ATOM 1765 CA GLY A 109 -12.494 0.503 -9.965 1.00 0.00 C ATOM 1766 C GLY A 109 -12.259 1.463 -8.802 1.00 0.00 C ATOM 1767 O GLY A 109 -13.087 2.297 -8.492 1.00 0.00 O ATOM 0 H GLY A 109 -12.614 -1.616 -9.741 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -11.562 0.309 -10.496 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.187 0.937 -10.686 1.00 0.00 H new ATOM 1771 N LEU A 110 -11.150 1.311 -8.136 1.00 0.00 N ATOM 1772 CA LEU A 110 -10.826 2.163 -6.957 1.00 0.00 C ATOM 1773 C LEU A 110 -11.353 3.587 -7.126 1.00 0.00 C ATOM 1774 O LEU A 110 -11.629 4.046 -8.217 1.00 0.00 O ATOM 1775 CB LEU A 110 -9.321 2.219 -6.796 1.00 0.00 C ATOM 1776 CG LEU A 110 -8.913 1.486 -5.527 1.00 0.00 C ATOM 1777 CD1 LEU A 110 -8.678 0.008 -5.838 1.00 0.00 C ATOM 1778 CD2 LEU A 110 -7.629 2.117 -4.997 1.00 0.00 C ATOM 0 H LEU A 110 -10.438 0.617 -8.364 1.00 0.00 H new ATOM 0 HA LEU A 110 -11.302 1.725 -6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.836 1.766 -7.661 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.989 3.256 -6.751 1.00 0.00 H new ATOM 0 HG LEU A 110 -9.702 1.564 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.386 -0.514 -4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.595 -0.432 -6.230 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.885 -0.086 -6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.321 1.604 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.843 2.028 -5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.805 3.170 -4.778 1.00 0.00 H new ATOM 1790 N ASN A 111 -11.475 4.290 -6.035 1.00 0.00 N ATOM 1791 CA ASN A 111 -11.968 5.687 -6.086 1.00 0.00 C ATOM 1792 C ASN A 111 -11.479 6.435 -4.849 1.00 0.00 C ATOM 1793 O ASN A 111 -11.445 5.900 -3.760 1.00 0.00 O ATOM 1794 CB ASN A 111 -13.499 5.683 -6.104 1.00 0.00 C ATOM 1795 CG ASN A 111 -14.003 6.621 -7.203 1.00 0.00 C ATOM 1796 OD1 ASN A 111 -13.606 7.766 -7.270 1.00 0.00 O ATOM 1797 ND2 ASN A 111 -14.872 6.179 -8.071 1.00 0.00 N ATOM 0 H ASN A 111 -11.250 3.948 -5.101 1.00 0.00 H new ATOM 0 HA ASN A 111 -11.594 6.178 -6.985 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -13.868 4.672 -6.278 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -13.885 6.001 -5.135 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -15.218 6.796 -8.806 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -15.205 5.217 -8.014 1.00 0.00 H new ATOM 1804 N ALA A 112 -11.112 7.670 -5.010 1.00 0.00 N ATOM 1805 CA ALA A 112 -10.640 8.473 -3.852 1.00 0.00 C ATOM 1806 C ALA A 112 -11.816 8.660 -2.902 1.00 0.00 C ATOM 1807 O ALA A 112 -11.654 8.891 -1.720 1.00 0.00 O ATOM 1808 CB ALA A 112 -10.143 9.837 -4.335 1.00 0.00 C ATOM 0 H ALA A 112 -11.118 8.164 -5.902 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.819 7.964 -3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -9.798 10.422 -3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.320 9.697 -5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -10.956 10.366 -4.832 1.00 0.00 H new ATOM 1814 N ASP A 113 -13.004 8.534 -3.419 1.00 0.00 N ATOM 1815 CA ASP A 113 -14.209 8.668 -2.568 1.00 0.00 C ATOM 1816 C ASP A 113 -14.035 7.757 -1.360 1.00 0.00 C ATOM 1817 O ASP A 113 -14.603 7.968 -0.307 1.00 0.00 O ATOM 1818 CB ASP A 113 -15.421 8.212 -3.377 1.00 0.00 C ATOM 1819 CG ASP A 113 -16.379 9.387 -3.589 1.00 0.00 C ATOM 1820 OD1 ASP A 113 -16.135 10.436 -3.017 1.00 0.00 O ATOM 1821 OD2 ASP A 113 -17.337 9.218 -4.324 1.00 0.00 O ATOM 0 H ASP A 113 -13.190 8.342 -4.403 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.349 9.699 -2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.098 7.817 -4.340 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.933 7.403 -2.856 1.00 0.00 H new ATOM 1826 N ASP A 114 -13.243 6.737 -1.522 1.00 0.00 N ATOM 1827 CA ASP A 114 -13.002 5.780 -0.416 1.00 0.00 C ATOM 1828 C ASP A 114 -11.579 5.973 0.122 1.00 0.00 C ATOM 1829 O ASP A 114 -11.259 5.555 1.216 1.00 0.00 O ATOM 1830 CB ASP A 114 -13.160 4.355 -0.953 1.00 0.00 C ATOM 1831 CG ASP A 114 -14.633 4.091 -1.272 1.00 0.00 C ATOM 1832 OD1 ASP A 114 -15.211 4.876 -2.004 1.00 0.00 O ATOM 1833 OD2 ASP A 114 -15.158 3.107 -0.777 1.00 0.00 O ATOM 0 H ASP A 114 -12.746 6.525 -2.387 1.00 0.00 H new ATOM 0 HA ASP A 114 -13.716 5.952 0.389 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -12.553 4.223 -1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -12.802 3.636 -0.217 1.00 0.00 H new ATOM 1838 N PHE A 115 -10.722 6.598 -0.644 1.00 0.00 N ATOM 1839 CA PHE A 115 -9.317 6.808 -0.183 1.00 0.00 C ATOM 1840 C PHE A 115 -9.129 8.237 0.342 1.00 0.00 C ATOM 1841 O PHE A 115 -9.772 9.159 -0.119 1.00 0.00 O ATOM 1842 CB PHE A 115 -8.360 6.587 -1.354 1.00 0.00 C ATOM 1843 CG PHE A 115 -8.150 5.111 -1.574 1.00 0.00 C ATOM 1844 CD1 PHE A 115 -9.085 4.370 -2.305 1.00 0.00 C ATOM 1845 CD2 PHE A 115 -7.012 4.488 -1.055 1.00 0.00 C ATOM 1846 CE1 PHE A 115 -8.881 3.001 -2.514 1.00 0.00 C ATOM 1847 CE2 PHE A 115 -6.806 3.123 -1.266 1.00 0.00 C ATOM 1848 CZ PHE A 115 -7.740 2.377 -1.994 1.00 0.00 C ATOM 0 H PHE A 115 -10.935 6.972 -1.569 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.107 6.100 0.619 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -8.765 7.044 -2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.405 7.073 -1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -9.963 4.854 -2.707 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -6.292 5.062 -0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -9.603 2.427 -3.076 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -5.925 2.642 -0.867 1.00 0.00 H new ATOM 0 HZ PHE A 115 -7.581 1.321 -2.155 1.00 0.00 H new ATOM 1858 N PRO A 116 -8.230 8.368 1.291 1.00 0.00 N ATOM 1859 CA PRO A 116 -7.906 9.671 1.902 1.00 0.00 C ATOM 1860 C PRO A 116 -7.231 10.581 0.867 1.00 0.00 C ATOM 1861 O PRO A 116 -6.479 10.113 0.036 1.00 0.00 O ATOM 1862 CB PRO A 116 -6.920 9.337 3.032 1.00 0.00 C ATOM 1863 CG PRO A 116 -6.631 7.815 2.975 1.00 0.00 C ATOM 1864 CD PRO A 116 -7.475 7.225 1.838 1.00 0.00 C ATOM 0 HA PRO A 116 -8.792 10.193 2.265 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -5.997 9.906 2.914 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.341 9.610 4.000 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.571 7.633 2.799 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.883 7.342 3.924 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -6.845 6.767 1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -8.146 6.449 2.206 1.00 0.00 H new ATOM 1872 N PRO A 117 -7.514 11.856 0.951 1.00 0.00 N ATOM 1873 CA PRO A 117 -6.934 12.848 0.026 1.00 0.00 C ATOM 1874 C PRO A 117 -5.414 12.918 0.212 1.00 0.00 C ATOM 1875 O PRO A 117 -4.680 13.238 -0.703 1.00 0.00 O ATOM 1876 CB PRO A 117 -7.587 14.180 0.421 1.00 0.00 C ATOM 1877 CG PRO A 117 -8.509 13.910 1.640 1.00 0.00 C ATOM 1878 CD PRO A 117 -8.430 12.409 1.963 1.00 0.00 C ATOM 0 HA PRO A 117 -7.114 12.598 -1.019 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -6.826 14.919 0.673 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -8.162 14.586 -0.411 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -8.192 14.503 2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.535 14.199 1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.054 12.240 2.972 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -9.412 11.940 1.907 1.00 0.00 H new ATOM 1886 N ALA A 118 -4.937 12.622 1.391 1.00 0.00 N ATOM 1887 CA ALA A 118 -3.466 12.672 1.638 1.00 0.00 C ATOM 1888 C ALA A 118 -2.718 12.043 0.459 1.00 0.00 C ATOM 1889 O ALA A 118 -1.696 12.537 0.029 1.00 0.00 O ATOM 1890 CB ALA A 118 -3.137 11.899 2.915 1.00 0.00 C ATOM 0 H ALA A 118 -5.502 12.348 2.195 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.157 13.712 1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -2.063 11.935 3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -3.662 12.348 3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -3.451 10.861 2.803 1.00 0.00 H new ATOM 1896 N ASN A 119 -3.216 10.955 -0.063 1.00 0.00 N ATOM 1897 CA ASN A 119 -2.527 10.295 -1.212 1.00 0.00 C ATOM 1898 C ASN A 119 -3.354 10.498 -2.484 1.00 0.00 C ATOM 1899 O ASN A 119 -3.734 9.559 -3.153 1.00 0.00 O ATOM 1900 CB ASN A 119 -2.384 8.799 -0.927 1.00 0.00 C ATOM 1901 CG ASN A 119 -1.196 8.569 0.010 1.00 0.00 C ATOM 1902 OD1 ASN A 119 -0.063 9.169 -0.233 1.00 0.00 O flip ATOM 1903 ND2 ASN A 119 -1.299 7.834 0.972 1.00 0.00 N flip ATOM 0 H ASN A 119 -4.069 10.494 0.255 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.539 10.734 -1.348 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -3.298 8.415 -0.474 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.237 8.253 -1.859 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -2.184 7.365 1.163 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -0.500 7.686 1.589 1.00 0.00 H new ATOM 1910 N GLU A 120 -3.638 11.726 -2.810 1.00 0.00 N ATOM 1911 CA GLU A 120 -4.445 12.032 -4.025 1.00 0.00 C ATOM 1912 C GLU A 120 -3.663 11.784 -5.335 1.00 0.00 C ATOM 1913 O GLU A 120 -4.254 11.392 -6.316 1.00 0.00 O ATOM 1914 CB GLU A 120 -4.858 13.501 -3.973 1.00 0.00 C ATOM 1915 CG GLU A 120 -6.267 13.622 -3.389 1.00 0.00 C ATOM 1916 CD GLU A 120 -7.216 14.173 -4.456 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -6.836 15.115 -5.129 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -8.308 13.643 -4.580 1.00 0.00 O ATOM 0 H GLU A 120 -3.341 12.544 -2.279 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.310 11.368 -4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.152 14.066 -3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.831 13.932 -4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -6.615 12.648 -3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -6.257 14.281 -2.521 1.00 0.00 H new ATOM 1925 N PRO A 121 -2.375 12.057 -5.347 1.00 0.00 N ATOM 1926 CA PRO A 121 -1.558 11.894 -6.570 1.00 0.00 C ATOM 1927 C PRO A 121 -1.566 10.459 -7.115 1.00 0.00 C ATOM 1928 O PRO A 121 -1.456 10.252 -8.308 1.00 0.00 O ATOM 1929 CB PRO A 121 -0.140 12.305 -6.153 1.00 0.00 C ATOM 1930 CG PRO A 121 -0.208 12.816 -4.692 1.00 0.00 C ATOM 1931 CD PRO A 121 -1.628 12.555 -4.174 1.00 0.00 C ATOM 0 HA PRO A 121 -1.959 12.502 -7.381 1.00 0.00 H new ATOM 0 HB2 PRO A 121 0.542 11.458 -6.231 1.00 0.00 H new ATOM 0 HB3 PRO A 121 0.242 13.084 -6.813 1.00 0.00 H new ATOM 0 HG2 PRO A 121 0.526 12.301 -4.072 1.00 0.00 H new ATOM 0 HG3 PRO A 121 0.026 13.880 -4.647 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -1.626 11.822 -3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -2.077 13.465 -3.777 1.00 0.00 H new ATOM 1939 N VAL A 122 -1.682 9.467 -6.284 1.00 0.00 N ATOM 1940 CA VAL A 122 -1.677 8.074 -6.815 1.00 0.00 C ATOM 1941 C VAL A 122 -3.113 7.561 -6.903 1.00 0.00 C ATOM 1942 O VAL A 122 -3.472 6.879 -7.840 1.00 0.00 O ATOM 1943 CB VAL A 122 -0.836 7.189 -5.894 1.00 0.00 C ATOM 1944 CG1 VAL A 122 -1.401 5.763 -5.836 1.00 0.00 C ATOM 1945 CG2 VAL A 122 0.604 7.138 -6.418 1.00 0.00 C ATOM 0 H VAL A 122 -1.779 9.554 -5.272 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.241 8.052 -7.814 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.859 7.614 -4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.785 5.154 -5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -2.422 5.791 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.398 5.329 -6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.207 6.508 -5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.610 6.725 -7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.020 8.145 -6.436 1.00 0.00 H new ATOM 1955 N ILE A 123 -3.946 7.881 -5.951 1.00 0.00 N ATOM 1956 CA ILE A 123 -5.346 7.402 -6.045 1.00 0.00 C ATOM 1957 C ILE A 123 -5.917 7.950 -7.344 1.00 0.00 C ATOM 1958 O ILE A 123 -6.652 7.287 -8.034 1.00 0.00 O ATOM 1959 CB ILE A 123 -6.174 7.910 -4.850 1.00 0.00 C ATOM 1960 CG1 ILE A 123 -5.966 6.993 -3.642 1.00 0.00 C ATOM 1961 CG2 ILE A 123 -7.663 7.917 -5.212 1.00 0.00 C ATOM 1962 CD1 ILE A 123 -6.098 5.529 -4.071 1.00 0.00 C ATOM 0 H ILE A 123 -3.721 8.442 -5.129 1.00 0.00 H new ATOM 0 HA ILE A 123 -5.380 6.313 -6.029 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.848 8.921 -4.606 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -4.981 7.167 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -6.700 7.222 -2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -8.242 8.277 -4.362 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.827 8.573 -6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.981 6.905 -5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -5.949 4.882 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -7.092 5.359 -4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -5.347 5.302 -4.828 1.00 0.00 H new ATOM 1974 N ALA A 124 -5.548 9.156 -7.684 1.00 0.00 N ATOM 1975 CA ALA A 124 -6.035 9.773 -8.950 1.00 0.00 C ATOM 1976 C ALA A 124 -6.051 8.716 -10.039 1.00 0.00 C ATOM 1977 O ALA A 124 -6.914 8.681 -10.893 1.00 0.00 O ATOM 1978 CB ALA A 124 -5.083 10.898 -9.357 1.00 0.00 C ATOM 0 H ALA A 124 -4.924 9.745 -7.133 1.00 0.00 H new ATOM 0 HA ALA A 124 -7.039 10.173 -8.807 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.433 11.354 -10.283 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.053 11.652 -8.570 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.083 10.491 -9.509 1.00 0.00 H new ATOM 1984 N LYS A 125 -5.078 7.867 -10.011 1.00 0.00 N ATOM 1985 CA LYS A 125 -4.978 6.802 -11.036 1.00 0.00 C ATOM 1986 C LYS A 125 -5.883 5.606 -10.706 1.00 0.00 C ATOM 1987 O LYS A 125 -6.606 5.128 -11.558 1.00 0.00 O ATOM 1988 CB LYS A 125 -3.524 6.384 -11.131 1.00 0.00 C ATOM 1989 CG LYS A 125 -2.800 7.459 -11.934 1.00 0.00 C ATOM 1990 CD LYS A 125 -3.411 7.539 -13.336 1.00 0.00 C ATOM 1991 CE LYS A 125 -2.315 7.363 -14.387 1.00 0.00 C ATOM 1992 NZ LYS A 125 -1.651 8.673 -14.635 1.00 0.00 N ATOM 0 H LYS A 125 -4.335 7.863 -9.312 1.00 0.00 H new ATOM 0 HA LYS A 125 -5.322 7.184 -11.997 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.086 6.285 -10.138 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -3.433 5.413 -11.618 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.884 8.423 -11.432 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.737 7.226 -12.000 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -4.171 6.767 -13.456 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.908 8.500 -13.472 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -1.583 6.631 -14.046 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -2.742 6.979 -15.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -1.820 8.967 -15.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.041 9.388 -13.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -0.628 8.580 -14.473 1.00 0.00 H new ATOM 2006 N LEU A 126 -5.871 5.111 -9.494 1.00 0.00 N ATOM 2007 CA LEU A 126 -6.764 3.952 -9.178 1.00 0.00 C ATOM 2008 C LEU A 126 -8.219 4.393 -9.308 1.00 0.00 C ATOM 2009 O LEU A 126 -9.132 3.592 -9.302 1.00 0.00 O ATOM 2010 CB LEU A 126 -6.527 3.443 -7.753 1.00 0.00 C ATOM 2011 CG LEU A 126 -5.064 3.002 -7.551 1.00 0.00 C ATOM 2012 CD1 LEU A 126 -4.366 2.774 -8.896 1.00 0.00 C ATOM 2013 CD2 LEU A 126 -4.317 4.085 -6.773 1.00 0.00 C ATOM 0 H LEU A 126 -5.295 5.450 -8.723 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.541 3.146 -9.877 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -6.774 4.228 -7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.193 2.605 -7.549 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.058 2.064 -6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.335 2.464 -8.723 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.891 1.996 -9.451 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.375 3.699 -9.472 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.281 3.779 -6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.344 5.019 -7.333 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -4.793 4.230 -5.803 1.00 0.00 H new ATOM 2025 N LYS A 127 -8.441 5.663 -9.446 1.00 0.00 N ATOM 2026 CA LYS A 127 -9.824 6.162 -9.605 1.00 0.00 C ATOM 2027 C LYS A 127 -10.304 5.689 -10.963 1.00 0.00 C ATOM 2028 O LYS A 127 -11.442 5.308 -11.158 1.00 0.00 O ATOM 2029 CB LYS A 127 -9.806 7.685 -9.591 1.00 0.00 C ATOM 2030 CG LYS A 127 -9.010 8.164 -8.380 1.00 0.00 C ATOM 2031 CD LYS A 127 -9.878 9.085 -7.518 1.00 0.00 C ATOM 2032 CE LYS A 127 -9.621 10.548 -7.885 1.00 0.00 C ATOM 2033 NZ LYS A 127 -10.310 10.871 -9.167 1.00 0.00 N ATOM 0 H LYS A 127 -7.717 6.382 -9.455 1.00 0.00 H new ATOM 0 HA LYS A 127 -10.471 5.802 -8.805 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -9.358 8.064 -10.509 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -10.824 8.073 -9.549 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.676 7.309 -7.792 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -8.116 8.694 -8.708 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.931 8.845 -7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -9.657 8.923 -6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -9.983 11.201 -7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -8.550 10.727 -7.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -10.249 11.894 -9.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -9.853 10.355 -9.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -11.309 10.590 -9.105 1.00 0.00 H new ATOM 2047 N ARG A 128 -9.405 5.707 -11.898 1.00 0.00 N ATOM 2048 CA ARG A 128 -9.717 5.257 -13.272 1.00 0.00 C ATOM 2049 C ARG A 128 -9.674 3.728 -13.299 1.00 0.00 C ATOM 2050 O ARG A 128 -10.101 3.097 -14.245 1.00 0.00 O ATOM 2051 CB ARG A 128 -8.663 5.813 -14.237 1.00 0.00 C ATOM 2052 CG ARG A 128 -8.025 7.087 -13.664 1.00 0.00 C ATOM 2053 CD ARG A 128 -7.420 7.916 -14.800 1.00 0.00 C ATOM 2054 NE ARG A 128 -8.142 9.215 -14.908 1.00 0.00 N ATOM 2055 CZ ARG A 128 -7.615 10.200 -15.583 1.00 0.00 C ATOM 2056 NH1 ARG A 128 -6.410 10.615 -15.298 1.00 0.00 N ATOM 2057 NH2 ARG A 128 -8.292 10.771 -16.541 1.00 0.00 N ATOM 0 H ARG A 128 -8.445 6.023 -11.763 1.00 0.00 H new ATOM 0 HA ARG A 128 -10.703 5.611 -13.572 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -7.893 5.062 -14.415 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -9.123 6.032 -15.200 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -8.774 7.673 -13.132 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -7.253 6.825 -12.941 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -6.361 8.091 -14.612 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -7.491 7.370 -15.740 1.00 0.00 H new ATOM 0 HE ARG A 128 -9.048 9.334 -14.455 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -5.881 10.169 -14.548 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -5.998 11.385 -15.825 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -9.234 10.448 -16.763 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -7.880 11.541 -17.068 1.00 0.00 H new ATOM 2071 N LEU A 129 -9.152 3.132 -12.258 1.00 0.00 N ATOM 2072 CA LEU A 129 -9.065 1.649 -12.202 1.00 0.00 C ATOM 2073 C LEU A 129 -10.437 1.038 -12.496 1.00 0.00 C ATOM 2074 O LEU A 129 -11.423 1.620 -12.077 1.00 0.00 O ATOM 2075 CB LEU A 129 -8.603 1.227 -10.809 1.00 0.00 C ATOM 2076 CG LEU A 129 -7.537 0.147 -10.942 1.00 0.00 C ATOM 2077 CD1 LEU A 129 -6.296 0.754 -11.596 1.00 0.00 C ATOM 2078 CD2 LEU A 129 -7.175 -0.389 -9.554 1.00 0.00 C ATOM 2079 OXT LEU A 129 -10.477 0.002 -13.138 1.00 0.00 O ATOM 0 H LEU A 129 -8.781 3.616 -11.440 1.00 0.00 H new ATOM 0 HA LEU A 129 -8.352 1.297 -12.948 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -8.203 2.086 -10.270 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -9.447 0.852 -10.230 1.00 0.00 H new ATOM 0 HG LEU A 129 -7.914 -0.672 -11.555 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.526 -0.011 -11.696 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -6.556 1.138 -12.582 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -5.920 1.568 -10.977 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -6.412 -1.162 -9.650 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -6.792 0.425 -8.938 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -8.063 -0.812 -9.084 1.00 0.00 H new