USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 691 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 Single : A 12 THR OG1 : rot -140:sc= 1.81 USER MOD Single : A 13 GLN : amide:sc= -0.0539 K(o=-0.054,f=-2.4!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0555) USER MOD Single : A 24 ASN : amide:sc= 1.93 K(o=1.9,f=-0.59) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= -0.0299 (180deg=-0.261) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot -146:sc= 1.27 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 1.01 K(o=1,f=-5.1!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -4:sc= -0.119 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -175:sc= 0.579 (180deg=0.568) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 167:sc= 0.148 USER MOD Single : A 60 TYR OH : rot 6:sc= 1.27 USER MOD Single : A 61 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.58) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 166:sc=-0.00611 (180deg=-0.151) USER MOD Single : A 76 SER OG : rot -160:sc= 0.0169 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 79:sc= 1.22 USER MOD Single : A 85 LYS NZ :NH3+ 163:sc= -0.0371 (180deg=-0.272) USER MOD Single : A 90 ASN : amide:sc= 1.02 K(o=1,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 3.626 -11.622 -2.479 1.00 0.00 N ATOM 50 CA GLU A 4 3.205 -12.398 -1.319 1.00 0.00 C ATOM 51 C GLU A 4 2.350 -11.529 -0.406 1.00 0.00 C ATOM 52 O GLU A 4 2.533 -10.311 -0.347 1.00 0.00 O ATOM 53 CB GLU A 4 4.436 -12.950 -0.597 1.00 0.00 C ATOM 54 CG GLU A 4 4.110 -13.955 0.514 1.00 0.00 C ATOM 55 CD GLU A 4 5.386 -14.564 1.090 1.00 0.00 C ATOM 56 OE1 GLU A 4 6.178 -13.783 1.659 1.00 0.00 O ATOM 57 OE2 GLU A 4 5.551 -15.793 0.938 1.00 0.00 O ATOM 0 HA GLU A 4 2.597 -13.246 -1.634 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.088 -13.430 -1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.996 -12.119 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.550 -13.458 1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.471 -14.745 0.119 1.00 0.00 H new ATOM 64 N ILE A 5 1.407 -12.175 0.282 1.00 0.00 N ATOM 65 CA ILE A 5 0.523 -11.536 1.242 1.00 0.00 C ATOM 66 C ILE A 5 1.332 -11.271 2.512 1.00 0.00 C ATOM 67 O ILE A 5 2.114 -12.125 2.926 1.00 0.00 O ATOM 68 CB ILE A 5 -0.713 -12.408 1.537 1.00 0.00 C ATOM 69 CG1 ILE A 5 -1.336 -12.983 0.249 1.00 0.00 C ATOM 70 CG2 ILE A 5 -1.764 -11.605 2.320 1.00 0.00 C ATOM 71 CD1 ILE A 5 -2.546 -13.884 0.516 1.00 0.00 C ATOM 0 H ILE A 5 1.238 -13.176 0.181 1.00 0.00 H new ATOM 0 HA ILE A 5 0.145 -10.598 0.835 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.377 -13.248 2.145 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.639 -12.161 -0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.579 -13.552 -0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.630 -12.236 2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.335 -11.268 3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.073 -10.740 1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.938 -14.256 -0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.243 -14.725 1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.319 -13.312 1.029 1.00 0.00 H new ATOM 83 N ILE A 6 1.152 -10.103 3.126 1.00 0.00 N ATOM 84 CA ILE A 6 1.807 -9.728 4.366 1.00 0.00 C ATOM 85 C ILE A 6 0.810 -9.772 5.523 1.00 0.00 C ATOM 86 O ILE A 6 -0.398 -9.645 5.326 1.00 0.00 O ATOM 87 CB ILE A 6 2.470 -8.350 4.223 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.477 -7.231 3.859 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.598 -8.438 3.189 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.105 -5.841 3.975 1.00 0.00 C ATOM 0 H ILE A 6 0.532 -9.379 2.763 1.00 0.00 H new ATOM 0 HA ILE A 6 2.597 -10.445 4.589 1.00 0.00 H new ATOM 0 HB ILE A 6 2.876 -8.079 5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.119 -7.382 2.841 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.608 -7.291 4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.072 -7.462 3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.338 -9.167 3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.187 -8.747 2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.367 -5.085 3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.439 -5.677 5.000 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.958 -5.769 3.300 1.00 0.00 H new ATOM 102 N ASP A 7 1.327 -9.955 6.740 1.00 0.00 N ATOM 103 CA ASP A 7 0.541 -9.938 7.957 1.00 0.00 C ATOM 104 C ASP A 7 -0.081 -8.558 8.121 1.00 0.00 C ATOM 105 O ASP A 7 0.570 -7.546 7.864 1.00 0.00 O ATOM 106 CB ASP A 7 1.436 -10.239 9.168 1.00 0.00 C ATOM 107 CG ASP A 7 2.120 -11.596 9.060 1.00 0.00 C ATOM 108 OD1 ASP A 7 3.159 -11.645 8.365 1.00 0.00 O ATOM 109 OD2 ASP A 7 1.590 -12.554 9.662 1.00 0.00 O ATOM 0 H ASP A 7 2.320 -10.121 6.901 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.238 -10.698 7.896 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.193 -9.460 9.260 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.835 -10.209 10.077 1.00 0.00 H new ATOM 114 N ILE A 8 -1.327 -8.521 8.582 1.00 0.00 N ATOM 115 CA ILE A 8 -1.993 -7.316 9.013 1.00 0.00 C ATOM 116 C ILE A 8 -1.728 -7.128 10.512 1.00 0.00 C ATOM 117 O ILE A 8 -2.030 -8.005 11.318 1.00 0.00 O ATOM 118 CB ILE A 8 -3.486 -7.357 8.644 1.00 0.00 C ATOM 119 CG1 ILE A 8 -4.162 -8.737 8.503 1.00 0.00 C ATOM 120 CG2 ILE A 8 -3.683 -6.629 7.309 1.00 0.00 C ATOM 121 CD1 ILE A 8 -4.282 -9.519 9.809 1.00 0.00 C ATOM 0 H ILE A 8 -1.909 -9.355 8.665 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.596 -6.443 8.495 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.967 -6.890 9.503 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.159 -8.598 8.084 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.596 -9.334 7.788 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.738 -6.650 7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.354 -5.594 7.407 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.097 -7.124 6.535 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.768 -10.475 9.617 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.288 -9.694 10.221 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.875 -8.947 10.522 1.00 0.00 H new ATOM 133 N GLY A 9 -1.113 -6.005 10.879 1.00 0.00 N ATOM 134 CA GLY A 9 -0.676 -5.710 12.234 1.00 0.00 C ATOM 135 C GLY A 9 -0.152 -4.274 12.283 1.00 0.00 C ATOM 136 O GLY A 9 -0.364 -3.538 11.320 1.00 0.00 O ATOM 0 H GLY A 9 -0.901 -5.256 10.219 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.504 -5.833 12.932 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.105 -6.407 12.539 1.00 0.00 H new ATOM 140 N PRO A 10 0.538 -3.854 13.358 1.00 0.00 N ATOM 141 CA PRO A 10 0.940 -2.466 13.566 1.00 0.00 C ATOM 142 C PRO A 10 1.705 -1.871 12.378 1.00 0.00 C ATOM 143 O PRO A 10 1.426 -0.748 11.969 1.00 0.00 O ATOM 144 CB PRO A 10 1.736 -2.437 14.876 1.00 0.00 C ATOM 145 CG PRO A 10 2.067 -3.904 15.160 1.00 0.00 C ATOM 146 CD PRO A 10 0.917 -4.663 14.502 1.00 0.00 C ATOM 0 HA PRO A 10 0.063 -1.824 13.640 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.642 -1.839 14.776 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.152 -1.999 15.685 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.030 -4.188 14.735 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.119 -4.104 16.230 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.228 -5.661 14.194 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.082 -4.788 15.191 1.00 0.00 H new ATOM 154 N PHE A 11 2.649 -2.622 11.804 1.00 0.00 N ATOM 155 CA PHE A 11 3.352 -2.242 10.582 1.00 0.00 C ATOM 156 C PHE A 11 2.364 -1.850 9.473 1.00 0.00 C ATOM 157 O PHE A 11 2.410 -0.760 8.901 1.00 0.00 O ATOM 158 CB PHE A 11 4.231 -3.422 10.142 1.00 0.00 C ATOM 159 CG PHE A 11 4.898 -3.253 8.792 1.00 0.00 C ATOM 160 CD1 PHE A 11 6.134 -2.588 8.694 1.00 0.00 C ATOM 161 CD2 PHE A 11 4.309 -3.809 7.638 1.00 0.00 C ATOM 162 CE1 PHE A 11 6.795 -2.509 7.456 1.00 0.00 C ATOM 163 CE2 PHE A 11 4.960 -3.705 6.396 1.00 0.00 C ATOM 164 CZ PHE A 11 6.209 -3.068 6.307 1.00 0.00 C ATOM 0 H PHE A 11 2.948 -3.521 12.182 1.00 0.00 H new ATOM 0 HA PHE A 11 3.975 -1.369 10.776 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.003 -3.581 10.895 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.618 -4.323 10.118 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.575 -2.138 9.571 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.357 -4.315 7.708 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.755 -2.018 7.387 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.499 -4.115 5.510 1.00 0.00 H new ATOM 0 HZ PHE A 11 6.719 -3.008 5.357 1.00 0.00 H new ATOM 174 N THR A 12 1.455 -2.768 9.164 1.00 0.00 N ATOM 175 CA THR A 12 0.487 -2.644 8.094 1.00 0.00 C ATOM 176 C THR A 12 -0.467 -1.485 8.390 1.00 0.00 C ATOM 177 O THR A 12 -0.776 -0.685 7.510 1.00 0.00 O ATOM 178 CB THR A 12 -0.234 -3.995 7.951 1.00 0.00 C ATOM 179 OG1 THR A 12 0.420 -4.977 8.744 1.00 0.00 O ATOM 180 CG2 THR A 12 -0.268 -4.444 6.489 1.00 0.00 C ATOM 0 H THR A 12 1.374 -3.648 9.673 1.00 0.00 H new ATOM 0 HA THR A 12 0.967 -2.410 7.144 1.00 0.00 H new ATOM 0 HB THR A 12 -1.261 -3.875 8.296 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.455 -5.824 8.253 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.783 -5.402 6.414 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.796 -3.700 5.892 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.751 -4.550 6.117 1.00 0.00 H new ATOM 188 N GLN A 13 -0.914 -1.380 9.645 1.00 0.00 N ATOM 189 CA GLN A 13 -1.727 -0.284 10.122 1.00 0.00 C ATOM 190 C GLN A 13 -0.999 1.032 9.874 1.00 0.00 C ATOM 191 O GLN A 13 -1.597 1.951 9.329 1.00 0.00 O ATOM 192 CB GLN A 13 -2.026 -0.485 11.610 1.00 0.00 C ATOM 193 CG GLN A 13 -2.988 -1.651 11.867 1.00 0.00 C ATOM 194 CD GLN A 13 -3.012 -2.035 13.342 1.00 0.00 C ATOM 195 OE1 GLN A 13 -2.548 -3.106 13.722 1.00 0.00 O ATOM 196 NE2 GLN A 13 -3.545 -1.162 14.191 1.00 0.00 N ATOM 0 H GLN A 13 -0.710 -2.075 10.364 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.675 -0.255 9.584 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.092 -0.665 12.143 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.454 0.431 12.017 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.992 -1.375 11.545 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.687 -2.512 11.270 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.923 -0.280 13.845 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.576 -1.374 15.188 1.00 0.00 H new ATOM 205 N ASN A 14 0.283 1.124 10.241 1.00 0.00 N ATOM 206 CA ASN A 14 1.092 2.315 10.011 1.00 0.00 C ATOM 207 C ASN A 14 1.113 2.682 8.529 1.00 0.00 C ATOM 208 O ASN A 14 0.853 3.832 8.182 1.00 0.00 O ATOM 209 CB ASN A 14 2.514 2.126 10.548 1.00 0.00 C ATOM 210 CG ASN A 14 3.345 3.385 10.328 1.00 0.00 C ATOM 211 OD1 ASN A 14 4.039 3.510 9.326 1.00 0.00 O ATOM 212 ND2 ASN A 14 3.285 4.331 11.261 1.00 0.00 N ATOM 0 H ASN A 14 0.786 0.369 10.707 1.00 0.00 H new ATOM 0 HA ASN A 14 0.635 3.141 10.556 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.478 1.889 11.611 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.987 1.280 10.049 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.826 5.189 11.153 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.698 4.198 12.085 1.00 0.00 H new ATOM 219 N LEU A 15 1.391 1.713 7.649 1.00 0.00 N ATOM 220 CA LEU A 15 1.342 1.958 6.209 1.00 0.00 C ATOM 221 C LEU A 15 -0.035 2.468 5.787 1.00 0.00 C ATOM 222 O LEU A 15 -0.137 3.430 5.027 1.00 0.00 O ATOM 223 CB LEU A 15 1.709 0.698 5.409 1.00 0.00 C ATOM 224 CG LEU A 15 3.181 0.670 4.971 1.00 0.00 C ATOM 225 CD1 LEU A 15 3.462 -0.688 4.317 1.00 0.00 C ATOM 226 CD2 LEU A 15 3.497 1.777 3.950 1.00 0.00 C ATOM 0 H LEU A 15 1.650 0.761 7.909 1.00 0.00 H new ATOM 0 HA LEU A 15 2.082 2.727 5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.500 -0.184 6.015 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.072 0.637 4.526 1.00 0.00 H new ATOM 0 HG LEU A 15 3.804 0.832 5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.503 -0.730 3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.271 -1.485 5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.812 -0.817 3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.548 1.722 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.875 1.644 3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.292 2.751 4.394 1.00 0.00 H new ATOM 238 N GLY A 16 -1.096 1.827 6.275 1.00 0.00 N ATOM 239 CA GLY A 16 -2.464 2.232 5.981 1.00 0.00 C ATOM 240 C GLY A 16 -2.691 3.689 6.386 1.00 0.00 C ATOM 241 O GLY A 16 -3.112 4.515 5.576 1.00 0.00 O ATOM 0 H GLY A 16 -1.028 1.012 6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.665 2.109 4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.163 1.587 6.514 1.00 0.00 H new ATOM 245 N LYS A 17 -2.386 4.011 7.643 1.00 0.00 N ATOM 246 CA LYS A 17 -2.458 5.351 8.184 1.00 0.00 C ATOM 247 C LYS A 17 -1.678 6.332 7.312 1.00 0.00 C ATOM 248 O LYS A 17 -2.186 7.392 6.974 1.00 0.00 O ATOM 249 CB LYS A 17 -1.927 5.360 9.629 1.00 0.00 C ATOM 250 CG LYS A 17 -2.807 6.179 10.577 1.00 0.00 C ATOM 251 CD LYS A 17 -3.016 7.589 10.017 1.00 0.00 C ATOM 252 CE LYS A 17 -3.650 8.544 11.035 1.00 0.00 C ATOM 253 NZ LYS A 17 -2.718 8.889 12.124 1.00 0.00 N ATOM 0 H LYS A 17 -2.074 3.320 8.326 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.500 5.671 8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.862 4.335 9.994 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.915 5.766 9.637 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.770 5.686 10.709 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.341 6.236 11.561 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.056 7.993 9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.651 7.534 9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.968 9.455 10.528 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.544 8.084 11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.120 9.661 12.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.566 8.056 12.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.810 9.194 11.720 1.00 0.00 H new ATOM 267 N PHE A 18 -0.442 5.988 6.955 1.00 0.00 N ATOM 268 CA PHE A 18 0.399 6.791 6.079 1.00 0.00 C ATOM 269 C PHE A 18 -0.300 7.048 4.746 1.00 0.00 C ATOM 270 O PHE A 18 -0.375 8.188 4.298 1.00 0.00 O ATOM 271 CB PHE A 18 1.769 6.128 5.880 1.00 0.00 C ATOM 272 CG PHE A 18 2.587 6.725 4.748 1.00 0.00 C ATOM 273 CD1 PHE A 18 3.130 8.017 4.879 1.00 0.00 C ATOM 274 CD2 PHE A 18 2.685 6.050 3.515 1.00 0.00 C ATOM 275 CE1 PHE A 18 3.806 8.611 3.800 1.00 0.00 C ATOM 276 CE2 PHE A 18 3.366 6.645 2.436 1.00 0.00 C ATOM 277 CZ PHE A 18 3.941 7.918 2.585 1.00 0.00 C ATOM 0 H PHE A 18 0.007 5.129 7.273 1.00 0.00 H new ATOM 0 HA PHE A 18 0.568 7.757 6.554 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.338 6.208 6.806 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.622 5.065 5.687 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.027 8.553 5.811 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.237 5.074 3.397 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.223 9.602 3.905 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.446 6.123 1.494 1.00 0.00 H new ATOM 0 HZ PHE A 18 4.486 8.364 1.766 1.00 0.00 H new ATOM 287 N ALA A 19 -0.830 5.999 4.118 1.00 0.00 N ATOM 288 CA ALA A 19 -1.544 6.134 2.856 1.00 0.00 C ATOM 289 C ALA A 19 -2.707 7.115 3.008 1.00 0.00 C ATOM 290 O ALA A 19 -2.862 8.040 2.209 1.00 0.00 O ATOM 291 CB ALA A 19 -2.017 4.764 2.364 1.00 0.00 C ATOM 0 H ALA A 19 -0.776 5.042 4.468 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.867 6.538 2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.549 4.880 1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.155 4.113 2.217 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.684 4.322 3.104 1.00 0.00 H new ATOM 297 N VAL A 20 -3.503 6.923 4.061 1.00 0.00 N ATOM 298 CA VAL A 20 -4.607 7.818 4.387 1.00 0.00 C ATOM 299 C VAL A 20 -4.095 9.243 4.587 1.00 0.00 C ATOM 300 O VAL A 20 -4.680 10.180 4.053 1.00 0.00 O ATOM 301 CB VAL A 20 -5.366 7.305 5.627 1.00 0.00 C ATOM 302 CG1 VAL A 20 -6.382 8.328 6.149 1.00 0.00 C ATOM 303 CG2 VAL A 20 -6.131 6.020 5.306 1.00 0.00 C ATOM 0 H VAL A 20 -3.398 6.143 4.709 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.310 7.834 3.554 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.608 7.124 6.389 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.892 7.922 7.023 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.864 9.246 6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.113 8.544 5.370 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.658 5.678 6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.851 6.214 4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.430 5.251 4.982 1.00 0.00 H new ATOM 313 N ASP A 21 -3.026 9.416 5.366 1.00 0.00 N ATOM 314 CA ASP A 21 -2.460 10.704 5.718 1.00 0.00 C ATOM 315 C ASP A 21 -2.000 11.435 4.460 1.00 0.00 C ATOM 316 O ASP A 21 -2.322 12.600 4.257 1.00 0.00 O ATOM 317 CB ASP A 21 -1.306 10.497 6.708 1.00 0.00 C ATOM 318 CG ASP A 21 -0.553 11.800 6.956 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.055 12.598 7.777 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.507 11.976 6.318 1.00 0.00 O ATOM 0 H ASP A 21 -2.519 8.633 5.779 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.216 11.324 6.199 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.696 10.114 7.651 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.619 9.745 6.319 1.00 0.00 H new ATOM 325 N GLU A 22 -1.256 10.737 3.607 1.00 0.00 N ATOM 326 CA GLU A 22 -0.723 11.281 2.376 1.00 0.00 C ATOM 327 C GLU A 22 -1.865 11.633 1.426 1.00 0.00 C ATOM 328 O GLU A 22 -1.860 12.714 0.845 1.00 0.00 O ATOM 329 CB GLU A 22 0.310 10.317 1.777 1.00 0.00 C ATOM 330 CG GLU A 22 1.074 10.983 0.623 1.00 0.00 C ATOM 331 CD GLU A 22 2.458 10.369 0.445 1.00 0.00 C ATOM 332 OE1 GLU A 22 3.387 10.853 1.128 1.00 0.00 O ATOM 333 OE2 GLU A 22 2.567 9.424 -0.364 1.00 0.00 O ATOM 0 H GLU A 22 -1.006 9.760 3.761 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.190 12.211 2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.012 10.003 2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.191 9.418 1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.506 10.877 -0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.170 12.051 0.817 1.00 0.00 H new ATOM 340 N GLU A 23 -2.876 10.768 1.288 1.00 0.00 N ATOM 341 CA GLU A 23 -4.056 11.174 0.537 1.00 0.00 C ATOM 342 C GLU A 23 -4.711 12.415 1.152 1.00 0.00 C ATOM 343 O GLU A 23 -5.002 13.366 0.431 1.00 0.00 O ATOM 344 CB GLU A 23 -5.049 10.020 0.382 1.00 0.00 C ATOM 345 CG GLU A 23 -6.168 10.439 -0.589 1.00 0.00 C ATOM 346 CD GLU A 23 -7.416 11.013 0.089 1.00 0.00 C ATOM 347 OE1 GLU A 23 -7.807 10.455 1.137 1.00 0.00 O ATOM 348 OE2 GLU A 23 -7.971 11.989 -0.469 1.00 0.00 O ATOM 0 H GLU A 23 -2.899 9.823 1.670 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.729 11.448 -0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.538 9.134 0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.472 9.757 1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.772 11.182 -1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.459 9.573 -1.184 1.00 0.00 H new ATOM 355 N ASN A 24 -4.937 12.422 2.468 1.00 0.00 N ATOM 356 CA ASN A 24 -5.542 13.534 3.195 1.00 0.00 C ATOM 357 C ASN A 24 -4.769 14.824 2.928 1.00 0.00 C ATOM 358 O ASN A 24 -5.375 15.879 2.763 1.00 0.00 O ATOM 359 CB ASN A 24 -5.551 13.244 4.703 1.00 0.00 C ATOM 360 CG ASN A 24 -6.844 12.624 5.216 1.00 0.00 C ATOM 361 OD1 ASN A 24 -7.646 13.285 5.868 1.00 0.00 O ATOM 362 ND2 ASN A 24 -7.041 11.336 4.977 1.00 0.00 N ATOM 0 H ASN A 24 -4.697 11.634 3.070 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.568 13.653 2.848 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.723 12.574 4.937 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.370 14.175 5.241 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.875 10.872 5.338 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.359 10.808 4.432 1.00 0.00 H new ATOM 369 N LYS A 25 -3.436 14.732 2.877 1.00 0.00 N ATOM 370 CA LYS A 25 -2.553 15.846 2.545 1.00 0.00 C ATOM 371 C LYS A 25 -3.016 16.557 1.268 1.00 0.00 C ATOM 372 O LYS A 25 -2.907 17.777 1.164 1.00 0.00 O ATOM 373 CB LYS A 25 -1.118 15.320 2.381 1.00 0.00 C ATOM 374 CG LYS A 25 -0.018 16.370 2.567 1.00 0.00 C ATOM 375 CD LYS A 25 0.268 16.626 4.054 1.00 0.00 C ATOM 376 CE LYS A 25 1.533 17.471 4.250 1.00 0.00 C ATOM 377 NZ LYS A 25 2.750 16.755 3.822 1.00 0.00 N ATOM 0 H LYS A 25 -2.935 13.864 3.069 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.583 16.575 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.957 14.516 3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.018 14.884 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.894 16.035 2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.318 17.302 2.087 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.583 17.135 4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.382 15.674 4.572 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.440 18.398 3.684 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.625 17.746 5.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.588 17.232 4.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.716 15.775 4.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.804 16.753 2.783 1.00 0.00 H new ATOM 391 N ILE A 26 -3.505 15.788 0.289 1.00 0.00 N ATOM 392 CA ILE A 26 -3.961 16.293 -1.000 1.00 0.00 C ATOM 393 C ILE A 26 -5.455 16.631 -0.914 1.00 0.00 C ATOM 394 O ILE A 26 -5.877 17.695 -1.359 1.00 0.00 O ATOM 395 CB ILE A 26 -3.650 15.261 -2.102 1.00 0.00 C ATOM 396 CG1 ILE A 26 -2.155 14.879 -2.100 1.00 0.00 C ATOM 397 CG2 ILE A 26 -4.047 15.829 -3.473 1.00 0.00 C ATOM 398 CD1 ILE A 26 -1.840 13.697 -3.023 1.00 0.00 C ATOM 0 H ILE A 26 -3.595 14.776 0.378 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.432 17.210 -1.260 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.229 14.360 -1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.564 15.742 -2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.850 14.631 -1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.825 15.096 -4.249 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.114 16.052 -3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.484 16.742 -3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.774 13.475 -2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.406 12.823 -2.701 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.116 13.951 -4.046 1.00 0.00 H new ATOM 410 N GLY A 27 -6.263 15.721 -0.360 1.00 0.00 N ATOM 411 CA GLY A 27 -7.690 15.904 -0.165 1.00 0.00 C ATOM 412 C GLY A 27 -8.477 15.457 -1.395 1.00 0.00 C ATOM 413 O GLY A 27 -9.573 15.957 -1.642 1.00 0.00 O ATOM 0 H GLY A 27 -5.926 14.817 -0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.017 15.335 0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.900 16.953 0.043 1.00 0.00 H new ATOM 417 N GLN A 28 -7.940 14.495 -2.157 1.00 0.00 N ATOM 418 CA GLN A 28 -8.553 14.015 -3.391 1.00 0.00 C ATOM 419 C GLN A 28 -9.981 13.528 -3.151 1.00 0.00 C ATOM 420 O GLN A 28 -10.859 13.763 -3.978 1.00 0.00 O ATOM 421 CB GLN A 28 -7.711 12.905 -4.027 1.00 0.00 C ATOM 422 CG GLN A 28 -6.299 13.394 -4.358 1.00 0.00 C ATOM 423 CD GLN A 28 -5.556 12.405 -5.247 1.00 0.00 C ATOM 424 OE1 GLN A 28 -4.719 11.640 -4.777 1.00 0.00 O ATOM 425 NE2 GLN A 28 -5.855 12.410 -6.544 1.00 0.00 N ATOM 0 H GLN A 28 -7.062 14.028 -1.928 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.594 14.856 -4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.653 12.055 -3.347 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.198 12.553 -4.936 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.356 14.361 -4.858 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.740 13.545 -3.435 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.556 13.058 -6.903 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.384 11.765 -7.179 1.00 0.00 H new ATOM 434 N TYR A 29 -10.211 12.870 -2.010 1.00 0.00 N ATOM 435 CA TYR A 29 -11.551 12.517 -1.554 1.00 0.00 C ATOM 436 C TYR A 29 -11.848 13.216 -0.223 1.00 0.00 C ATOM 437 O TYR A 29 -12.410 12.636 0.702 1.00 0.00 O ATOM 438 CB TYR A 29 -11.682 10.996 -1.463 1.00 0.00 C ATOM 439 CG TYR A 29 -11.897 10.285 -2.786 1.00 0.00 C ATOM 440 CD1 TYR A 29 -13.172 10.312 -3.381 1.00 0.00 C ATOM 441 CD2 TYR A 29 -10.890 9.469 -3.333 1.00 0.00 C ATOM 442 CE1 TYR A 29 -13.451 9.498 -4.491 1.00 0.00 C ATOM 443 CE2 TYR A 29 -11.186 8.616 -4.413 1.00 0.00 C ATOM 444 CZ TYR A 29 -12.472 8.622 -4.982 1.00 0.00 C ATOM 445 OH TYR A 29 -12.801 7.734 -5.959 1.00 0.00 O ATOM 0 H TYR A 29 -9.469 12.569 -1.379 1.00 0.00 H new ATOM 0 HA TYR A 29 -12.296 12.862 -2.271 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.781 10.597 -0.997 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -12.515 10.758 -0.802 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -13.938 10.961 -2.983 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.891 9.497 -2.925 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -14.419 9.547 -4.966 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.425 7.957 -4.805 1.00 0.00 H new ATOM 0 HH TYR A 29 -12.287 6.908 -5.837 1.00 0.00 H new ATOM 455 N GLY A 30 -11.471 14.489 -0.131 1.00 0.00 N ATOM 456 CA GLY A 30 -11.565 15.242 1.104 1.00 0.00 C ATOM 457 C GLY A 30 -10.747 14.560 2.202 1.00 0.00 C ATOM 458 O GLY A 30 -9.720 13.940 1.924 1.00 0.00 O ATOM 0 H GLY A 30 -11.093 15.022 -0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.202 16.258 0.948 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.608 15.320 1.412 1.00 0.00 H new ATOM 462 N ARG A 31 -11.202 14.683 3.449 1.00 0.00 N ATOM 463 CA ARG A 31 -10.537 14.122 4.610 1.00 0.00 C ATOM 464 C ARG A 31 -11.263 12.854 5.054 1.00 0.00 C ATOM 465 O ARG A 31 -12.408 12.938 5.496 1.00 0.00 O ATOM 466 CB ARG A 31 -10.550 15.153 5.742 1.00 0.00 C ATOM 467 CG ARG A 31 -9.674 16.369 5.422 1.00 0.00 C ATOM 468 CD ARG A 31 -9.724 17.359 6.590 1.00 0.00 C ATOM 469 NE ARG A 31 -8.839 18.505 6.350 1.00 0.00 N ATOM 470 CZ ARG A 31 -8.679 19.528 7.202 1.00 0.00 C ATOM 471 NH1 ARG A 31 -9.368 19.567 8.347 1.00 0.00 N ATOM 472 NH2 ARG A 31 -7.821 20.507 6.901 1.00 0.00 N ATOM 0 H ARG A 31 -12.059 15.186 3.678 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.507 13.871 4.359 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.574 15.481 5.922 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.199 14.686 6.662 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.646 16.053 5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.022 16.851 4.508 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.747 17.709 6.731 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.430 16.855 7.511 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.311 18.525 5.478 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.019 18.816 8.576 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.242 20.348 8.991 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.294 20.473 6.029 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.693 21.289 7.544 1.00 0.00 H new ATOM 486 N LEU A 32 -10.604 11.695 4.970 1.00 0.00 N ATOM 487 CA LEU A 32 -11.096 10.451 5.550 1.00 0.00 C ATOM 488 C LEU A 32 -10.207 10.068 6.729 1.00 0.00 C ATOM 489 O LEU A 32 -8.985 10.160 6.632 1.00 0.00 O ATOM 490 CB LEU A 32 -11.117 9.326 4.517 1.00 0.00 C ATOM 491 CG LEU A 32 -11.945 9.697 3.277 1.00 0.00 C ATOM 492 CD1 LEU A 32 -11.021 9.991 2.093 1.00 0.00 C ATOM 493 CD2 LEU A 32 -12.905 8.557 2.919 1.00 0.00 C ATOM 0 H LEU A 32 -9.708 11.597 4.493 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.120 10.603 5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.096 9.093 4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.529 8.425 4.971 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.527 10.591 3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.620 10.253 1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.362 10.822 2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.422 9.108 1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.485 8.833 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.334 7.653 2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.579 8.373 3.755 1.00 0.00 H new ATOM 505 N THR A 33 -10.814 9.629 7.831 1.00 0.00 N ATOM 506 CA THR A 33 -10.094 9.179 9.015 1.00 0.00 C ATOM 507 C THR A 33 -9.756 7.702 8.821 1.00 0.00 C ATOM 508 O THR A 33 -10.632 6.932 8.443 1.00 0.00 O ATOM 509 CB THR A 33 -10.978 9.399 10.251 1.00 0.00 C ATOM 510 OG1 THR A 33 -11.347 10.762 10.319 1.00 0.00 O ATOM 511 CG2 THR A 33 -10.256 9.044 11.554 1.00 0.00 C ATOM 0 H THR A 33 -11.828 9.576 7.925 1.00 0.00 H new ATOM 0 HA THR A 33 -9.171 9.739 9.162 1.00 0.00 H new ATOM 0 HB THR A 33 -11.846 8.748 10.147 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.913 10.909 11.105 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.923 9.217 12.398 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.962 7.995 11.533 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.368 9.668 11.660 1.00 0.00 H new ATOM 519 N PHE A 34 -8.505 7.300 9.057 1.00 0.00 N ATOM 520 CA PHE A 34 -8.132 5.890 9.022 1.00 0.00 C ATOM 521 C PHE A 34 -8.939 5.125 10.062 1.00 0.00 C ATOM 522 O PHE A 34 -9.043 5.574 11.202 1.00 0.00 O ATOM 523 CB PHE A 34 -6.634 5.729 9.299 1.00 0.00 C ATOM 524 CG PHE A 34 -6.166 4.314 9.590 1.00 0.00 C ATOM 525 CD1 PHE A 34 -6.144 3.845 10.918 1.00 0.00 C ATOM 526 CD2 PHE A 34 -5.729 3.472 8.550 1.00 0.00 C ATOM 527 CE1 PHE A 34 -5.651 2.561 11.207 1.00 0.00 C ATOM 528 CE2 PHE A 34 -5.243 2.185 8.840 1.00 0.00 C ATOM 529 CZ PHE A 34 -5.175 1.743 10.170 1.00 0.00 C ATOM 0 H PHE A 34 -7.736 7.933 9.274 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.346 5.489 8.031 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.082 6.105 8.438 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.370 6.361 10.147 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.507 4.474 11.717 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.767 3.815 7.527 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.638 2.204 12.226 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.922 1.536 8.039 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.756 0.773 10.396 1.00 0.00 H new ATOM 539 N ASN A 35 -9.460 3.962 9.674 1.00 0.00 N ATOM 540 CA ASN A 35 -10.115 3.050 10.604 1.00 0.00 C ATOM 541 C ASN A 35 -9.185 1.875 10.859 1.00 0.00 C ATOM 542 O ASN A 35 -8.757 1.651 11.988 1.00 0.00 O ATOM 543 CB ASN A 35 -11.464 2.549 10.074 1.00 0.00 C ATOM 544 CG ASN A 35 -12.541 3.626 9.989 1.00 0.00 C ATOM 545 OD1 ASN A 35 -12.264 4.792 9.732 1.00 0.00 O ATOM 546 ND2 ASN A 35 -13.797 3.236 10.176 1.00 0.00 N ATOM 0 H ASN A 35 -9.439 3.629 8.710 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.321 3.588 11.529 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.316 2.120 9.083 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.819 1.746 10.719 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -14.557 3.913 10.107 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.002 2.260 10.389 1.00 0.00 H new ATOM 553 N LYS A 36 -8.908 1.101 9.808 1.00 0.00 N ATOM 554 CA LYS A 36 -8.152 -0.134 9.908 1.00 0.00 C ATOM 555 C LYS A 36 -7.707 -0.576 8.519 1.00 0.00 C ATOM 556 O LYS A 36 -8.266 -0.139 7.515 1.00 0.00 O ATOM 557 CB LYS A 36 -8.975 -1.214 10.629 1.00 0.00 C ATOM 558 CG LYS A 36 -10.341 -1.483 9.974 1.00 0.00 C ATOM 559 CD LYS A 36 -11.247 -2.314 10.892 1.00 0.00 C ATOM 560 CE LYS A 36 -11.870 -1.454 12.001 1.00 0.00 C ATOM 561 NZ LYS A 36 -12.721 -2.257 12.896 1.00 0.00 N ATOM 0 H LYS A 36 -9.208 1.322 8.858 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.257 0.032 10.507 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.403 -2.141 10.651 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.131 -0.910 11.664 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.827 -0.536 9.741 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.197 -2.008 9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.038 -2.776 10.302 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.669 -3.123 11.339 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.079 -0.978 12.580 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.462 -0.656 11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.125 -1.644 13.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.490 -2.691 12.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.150 -3.003 13.341 1.00 0.00 H new ATOM 575 N VAL A 37 -6.704 -1.451 8.475 1.00 0.00 N ATOM 576 CA VAL A 37 -6.227 -2.125 7.281 1.00 0.00 C ATOM 577 C VAL A 37 -6.784 -3.543 7.299 1.00 0.00 C ATOM 578 O VAL A 37 -6.928 -4.125 8.374 1.00 0.00 O ATOM 579 CB VAL A 37 -4.694 -2.090 7.282 1.00 0.00 C ATOM 580 CG1 VAL A 37 -4.080 -2.753 8.520 1.00 0.00 C ATOM 581 CG2 VAL A 37 -4.099 -2.716 6.018 1.00 0.00 C ATOM 0 H VAL A 37 -6.182 -1.717 9.310 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.562 -1.638 6.365 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.436 -1.031 7.305 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.993 -2.696 8.462 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.423 -2.237 9.417 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.387 -3.798 8.563 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.011 -2.668 6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.413 -3.757 5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.449 -2.170 5.142 1.00 0.00 H new ATOM 591 N ILE A 38 -7.122 -4.084 6.129 1.00 0.00 N ATOM 592 CA ILE A 38 -7.739 -5.399 6.011 1.00 0.00 C ATOM 593 C ILE A 38 -7.292 -6.076 4.720 1.00 0.00 C ATOM 594 O ILE A 38 -6.811 -5.423 3.796 1.00 0.00 O ATOM 595 CB ILE A 38 -9.279 -5.348 6.127 1.00 0.00 C ATOM 596 CG1 ILE A 38 -10.008 -4.525 5.045 1.00 0.00 C ATOM 597 CG2 ILE A 38 -9.746 -4.965 7.537 1.00 0.00 C ATOM 598 CD1 ILE A 38 -9.708 -3.021 5.026 1.00 0.00 C ATOM 0 H ILE A 38 -6.974 -3.618 5.234 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.397 -5.999 6.854 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.580 -6.377 5.931 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.753 -4.938 4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -11.082 -4.659 5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.835 -4.943 7.566 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.379 -5.699 8.254 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.356 -3.980 7.794 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.276 -2.547 4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.992 -2.581 5.982 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.643 -2.865 4.857 1.00 0.00 H new ATOM 610 N ARG A 39 -7.436 -7.403 4.686 1.00 0.00 N ATOM 611 CA ARG A 39 -7.016 -8.223 3.559 1.00 0.00 C ATOM 612 C ARG A 39 -7.779 -7.830 2.282 1.00 0.00 C ATOM 613 O ARG A 39 -8.922 -7.382 2.377 1.00 0.00 O ATOM 614 CB ARG A 39 -7.191 -9.716 3.897 1.00 0.00 C ATOM 615 CG ARG A 39 -8.637 -10.118 4.230 1.00 0.00 C ATOM 616 CD ARG A 39 -8.794 -11.640 4.330 1.00 0.00 C ATOM 617 NE ARG A 39 -7.971 -12.216 5.406 1.00 0.00 N ATOM 618 CZ ARG A 39 -6.809 -12.874 5.262 1.00 0.00 C ATOM 619 NH1 ARG A 39 -6.225 -13.000 4.065 1.00 0.00 N ATOM 620 NH2 ARG A 39 -6.230 -13.415 6.339 1.00 0.00 N ATOM 0 H ARG A 39 -7.851 -7.938 5.449 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.958 -8.046 3.366 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.845 -10.312 3.053 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.552 -9.963 4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.934 -9.659 5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.308 -9.733 3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.842 -11.884 4.506 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.516 -12.095 3.379 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.319 -12.104 6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.662 -12.592 3.239 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.342 -13.504 3.979 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.671 -13.325 7.254 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.347 -13.918 6.245 1.00 0.00 H new ATOM 634 N PRO A 40 -7.206 -8.036 1.084 1.00 0.00 N ATOM 635 CA PRO A 40 -5.855 -8.524 0.839 1.00 0.00 C ATOM 636 C PRO A 40 -4.817 -7.428 1.102 1.00 0.00 C ATOM 637 O PRO A 40 -5.112 -6.235 1.018 1.00 0.00 O ATOM 638 CB PRO A 40 -5.849 -8.963 -0.629 1.00 0.00 C ATOM 639 CG PRO A 40 -6.869 -8.025 -1.274 1.00 0.00 C ATOM 640 CD PRO A 40 -7.911 -7.836 -0.170 1.00 0.00 C ATOM 0 HA PRO A 40 -5.590 -9.346 1.504 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.862 -8.855 -1.078 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.137 -10.009 -0.739 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.417 -7.078 -1.568 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.307 -8.461 -2.172 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.351 -6.840 -0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.727 -8.551 -0.277 1.00 0.00 H new ATOM 648 N CYS A 41 -3.595 -7.846 1.443 1.00 0.00 N ATOM 649 CA CYS A 41 -2.470 -6.965 1.686 1.00 0.00 C ATOM 650 C CYS A 41 -1.249 -7.654 1.094 1.00 0.00 C ATOM 651 O CYS A 41 -0.744 -8.593 1.703 1.00 0.00 O ATOM 652 CB CYS A 41 -2.273 -6.743 3.191 1.00 0.00 C ATOM 653 SG CYS A 41 -3.711 -5.960 3.956 1.00 0.00 S ATOM 0 H CYS A 41 -3.364 -8.833 1.558 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.635 -5.987 1.233 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.081 -7.700 3.676 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.393 -6.121 3.353 1.00 0.00 H new ATOM 0 HG CYS A 41 -4.581 -5.660 3.038 1.00 0.00 H new ATOM 659 N MET A 42 -0.815 -7.246 -0.099 1.00 0.00 N ATOM 660 CA MET A 42 0.268 -7.880 -0.839 1.00 0.00 C ATOM 661 C MET A 42 1.470 -6.946 -0.942 1.00 0.00 C ATOM 662 O MET A 42 1.314 -5.727 -0.896 1.00 0.00 O ATOM 663 CB MET A 42 -0.227 -8.272 -2.243 1.00 0.00 C ATOM 664 CG MET A 42 -0.342 -9.791 -2.394 1.00 0.00 C ATOM 665 SD MET A 42 -0.790 -10.354 -4.054 1.00 0.00 S ATOM 666 CE MET A 42 -0.764 -12.140 -3.790 1.00 0.00 C ATOM 0 H MET A 42 -1.219 -6.446 -0.586 1.00 0.00 H new ATOM 0 HA MET A 42 0.582 -8.777 -0.305 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.198 -7.812 -2.429 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.460 -7.882 -2.994 1.00 0.00 H new ATOM 0 HG2 MET A 42 0.610 -10.243 -2.116 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.087 -10.157 -1.688 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.020 -12.649 -4.719 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.232 -12.446 -3.471 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.489 -12.405 -3.020 1.00 0.00 H new ATOM 676 N LYS A 43 2.664 -7.521 -1.112 1.00 0.00 N ATOM 677 CA LYS A 43 3.860 -6.773 -1.479 1.00 0.00 C ATOM 678 C LYS A 43 4.714 -7.497 -2.523 1.00 0.00 C ATOM 679 O LYS A 43 4.671 -8.729 -2.607 1.00 0.00 O ATOM 680 CB LYS A 43 4.661 -6.395 -0.228 1.00 0.00 C ATOM 681 CG LYS A 43 5.637 -7.466 0.280 1.00 0.00 C ATOM 682 CD LYS A 43 6.518 -6.852 1.374 1.00 0.00 C ATOM 683 CE LYS A 43 7.489 -7.889 1.946 1.00 0.00 C ATOM 684 NZ LYS A 43 8.359 -7.289 2.973 1.00 0.00 N ATOM 0 H LYS A 43 2.824 -8.522 -0.998 1.00 0.00 H new ATOM 0 HA LYS A 43 3.536 -5.850 -1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.224 -5.486 -0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.961 -6.157 0.573 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.088 -8.321 0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.254 -7.834 -0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.078 -6.011 0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.890 -6.458 2.173 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.928 -8.718 2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.100 -8.302 1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.007 -8.012 3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.910 -6.514 2.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.775 -6.917 3.749 1.00 0.00 H new ATOM 698 N LYS A 44 5.501 -6.730 -3.295 1.00 0.00 N ATOM 699 CA LYS A 44 6.430 -7.247 -4.298 1.00 0.00 C ATOM 700 C LYS A 44 7.642 -6.307 -4.465 1.00 0.00 C ATOM 701 O LYS A 44 7.577 -5.148 -4.066 1.00 0.00 O ATOM 702 CB LYS A 44 5.649 -7.514 -5.592 1.00 0.00 C ATOM 703 CG LYS A 44 6.426 -8.250 -6.692 1.00 0.00 C ATOM 704 CD LYS A 44 6.852 -7.274 -7.790 1.00 0.00 C ATOM 705 CE LYS A 44 7.818 -7.953 -8.765 1.00 0.00 C ATOM 706 NZ LYS A 44 8.355 -6.981 -9.732 1.00 0.00 N ATOM 0 H LYS A 44 5.505 -5.712 -3.233 1.00 0.00 H new ATOM 0 HA LYS A 44 6.862 -8.196 -3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.761 -8.097 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.304 -6.560 -5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.305 -8.732 -6.264 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.806 -9.038 -7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.974 -6.917 -8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.329 -6.401 -7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.637 -8.412 -8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.303 -8.754 -9.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.940 -7.477 -10.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.569 -6.500 -10.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.936 -6.278 -9.232 1.00 0.00 H new ATOM 720 N THR A 45 8.759 -6.798 -5.015 1.00 0.00 N ATOM 721 CA THR A 45 10.015 -6.053 -5.165 1.00 0.00 C ATOM 722 C THR A 45 10.042 -5.176 -6.428 1.00 0.00 C ATOM 723 O THR A 45 9.626 -5.620 -7.496 1.00 0.00 O ATOM 724 CB THR A 45 11.185 -7.048 -5.171 1.00 0.00 C ATOM 725 OG1 THR A 45 11.107 -7.875 -4.028 1.00 0.00 O ATOM 726 CG2 THR A 45 12.543 -6.347 -5.141 1.00 0.00 C ATOM 0 H THR A 45 8.816 -7.750 -5.378 1.00 0.00 H new ATOM 0 HA THR A 45 10.104 -5.370 -4.321 1.00 0.00 H new ATOM 0 HB THR A 45 11.106 -7.625 -6.092 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.853 -8.511 -4.033 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.338 -7.093 -5.146 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.641 -5.706 -6.017 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.620 -5.741 -4.238 1.00 0.00 H new ATOM 734 N ILE A 46 10.586 -3.955 -6.324 1.00 0.00 N ATOM 735 CA ILE A 46 10.791 -3.013 -7.426 1.00 0.00 C ATOM 736 C ILE A 46 12.292 -2.882 -7.723 1.00 0.00 C ATOM 737 O ILE A 46 13.126 -2.824 -6.813 1.00 0.00 O ATOM 738 CB ILE A 46 10.069 -1.679 -7.136 1.00 0.00 C ATOM 739 CG1 ILE A 46 8.906 -1.439 -8.114 1.00 0.00 C ATOM 740 CG2 ILE A 46 10.981 -0.444 -7.170 1.00 0.00 C ATOM 741 CD1 ILE A 46 7.802 -2.493 -7.992 1.00 0.00 C ATOM 0 H ILE A 46 10.908 -3.584 -5.430 1.00 0.00 H new ATOM 0 HA ILE A 46 10.337 -3.388 -8.343 1.00 0.00 H new ATOM 0 HB ILE A 46 9.701 -1.795 -6.117 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.481 -0.452 -7.931 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.290 -1.437 -9.134 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.393 0.448 -6.956 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.765 -0.550 -6.421 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.433 -0.352 -8.158 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.008 -2.273 -8.706 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.216 -3.479 -8.202 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.395 -2.478 -6.981 1.00 0.00 H new ATOM 753 N TYR A 47 12.646 -2.873 -9.011 1.00 0.00 N ATOM 754 CA TYR A 47 14.021 -3.026 -9.461 1.00 0.00 C ATOM 755 C TYR A 47 14.166 -2.722 -10.955 1.00 0.00 C ATOM 756 O TYR A 47 13.162 -2.476 -11.621 1.00 0.00 O ATOM 757 CB TYR A 47 14.501 -4.439 -9.124 1.00 0.00 C ATOM 758 CG TYR A 47 13.897 -5.597 -9.889 1.00 0.00 C ATOM 759 CD1 TYR A 47 12.624 -6.081 -9.534 1.00 0.00 C ATOM 760 CD2 TYR A 47 14.717 -6.365 -10.736 1.00 0.00 C ATOM 761 CE1 TYR A 47 12.156 -7.292 -10.069 1.00 0.00 C ATOM 762 CE2 TYR A 47 14.241 -7.564 -11.290 1.00 0.00 C ATOM 763 CZ TYR A 47 12.953 -8.021 -10.967 1.00 0.00 C ATOM 764 OH TYR A 47 12.488 -9.193 -11.482 1.00 0.00 O ATOM 0 H TYR A 47 11.977 -2.758 -9.772 1.00 0.00 H new ATOM 0 HA TYR A 47 14.648 -2.302 -8.940 1.00 0.00 H new ATOM 0 HB2 TYR A 47 15.581 -4.469 -9.271 1.00 0.00 H new ATOM 0 HB3 TYR A 47 14.319 -4.609 -8.063 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.006 -5.520 -8.849 1.00 0.00 H new ATOM 0 HD2 TYR A 47 15.719 -6.030 -10.961 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.181 -7.664 -9.789 1.00 0.00 H new ATOM 0 HE2 TYR A 47 14.864 -8.134 -11.963 1.00 0.00 H new ATOM 0 HH TYR A 47 13.158 -9.573 -12.087 1.00 0.00 H new ATOM 884 N ILE A 55 18.227 -4.551 -7.000 1.00 0.00 N ATOM 885 CA ILE A 55 16.971 -4.217 -6.339 1.00 0.00 C ATOM 886 C ILE A 55 17.000 -2.744 -5.916 1.00 0.00 C ATOM 887 O ILE A 55 17.994 -2.294 -5.350 1.00 0.00 O ATOM 888 CB ILE A 55 16.702 -5.175 -5.163 1.00 0.00 C ATOM 889 CG1 ILE A 55 16.442 -6.588 -5.722 1.00 0.00 C ATOM 890 CG2 ILE A 55 15.506 -4.684 -4.330 1.00 0.00 C ATOM 891 CD1 ILE A 55 16.404 -7.673 -4.641 1.00 0.00 C ATOM 0 HA ILE A 55 16.138 -4.347 -7.030 1.00 0.00 H new ATOM 0 HB ILE A 55 17.571 -5.203 -4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.494 -6.589 -6.260 1.00 0.00 H new ATOM 0 HG13 ILE A 55 17.220 -6.833 -6.445 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.331 -5.373 -3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.721 -3.691 -3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.618 -4.639 -4.960 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.217 -8.642 -5.104 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.360 -7.699 -4.118 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.608 -7.451 -3.931 1.00 0.00 H new ATOM 903 N LYS A 56 15.927 -1.999 -6.207 1.00 0.00 N ATOM 904 CA LYS A 56 15.858 -0.560 -5.963 1.00 0.00 C ATOM 905 C LYS A 56 14.840 -0.226 -4.874 1.00 0.00 C ATOM 906 O LYS A 56 14.970 0.796 -4.201 1.00 0.00 O ATOM 907 CB LYS A 56 15.522 0.169 -7.270 1.00 0.00 C ATOM 908 CG LYS A 56 16.704 0.086 -8.247 1.00 0.00 C ATOM 909 CD LYS A 56 16.314 0.473 -9.679 1.00 0.00 C ATOM 910 CE LYS A 56 15.829 1.917 -9.839 1.00 0.00 C ATOM 911 NZ LYS A 56 16.904 2.886 -9.567 1.00 0.00 N ATOM 0 H LYS A 56 15.078 -2.384 -6.621 1.00 0.00 H new ATOM 0 HA LYS A 56 16.831 -0.222 -5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 56 14.635 -0.274 -7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 56 15.286 1.213 -7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 56 17.503 0.743 -7.902 1.00 0.00 H new ATOM 0 HG3 LYS A 56 17.102 -0.929 -8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 56 17.174 0.318 -10.330 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.529 -0.200 -10.022 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.454 2.065 -10.852 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.995 2.098 -9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.538 3.852 -9.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 17.245 2.762 -8.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 17.689 2.729 -10.231 1.00 0.00 H new ATOM 925 N GLY A 57 13.811 -1.054 -4.694 1.00 0.00 N ATOM 926 CA GLY A 57 12.749 -0.743 -3.761 1.00 0.00 C ATOM 927 C GLY A 57 11.726 -1.866 -3.710 1.00 0.00 C ATOM 928 O GLY A 57 12.014 -2.991 -4.116 1.00 0.00 O ATOM 0 H GLY A 57 13.698 -1.941 -5.185 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.168 -0.582 -2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.261 0.186 -4.056 1.00 0.00 H new ATOM 932 N TYR A 58 10.525 -1.557 -3.222 1.00 0.00 N ATOM 933 CA TYR A 58 9.411 -2.480 -3.119 1.00 0.00 C ATOM 934 C TYR A 58 8.124 -1.712 -3.397 1.00 0.00 C ATOM 935 O TYR A 58 8.119 -0.481 -3.329 1.00 0.00 O ATOM 936 CB TYR A 58 9.370 -3.096 -1.714 1.00 0.00 C ATOM 937 CG TYR A 58 10.722 -3.504 -1.156 1.00 0.00 C ATOM 938 CD1 TYR A 58 11.298 -4.736 -1.520 1.00 0.00 C ATOM 939 CD2 TYR A 58 11.482 -2.568 -0.432 1.00 0.00 C ATOM 940 CE1 TYR A 58 12.643 -5.005 -1.207 1.00 0.00 C ATOM 941 CE2 TYR A 58 12.821 -2.840 -0.113 1.00 0.00 C ATOM 942 CZ TYR A 58 13.410 -4.047 -0.522 1.00 0.00 C ATOM 943 OH TYR A 58 14.724 -4.281 -0.248 1.00 0.00 O ATOM 0 H TYR A 58 10.300 -0.624 -2.878 1.00 0.00 H new ATOM 0 HA TYR A 58 9.524 -3.287 -3.843 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.913 -2.379 -1.032 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.723 -3.973 -1.736 1.00 0.00 H new ATOM 0 HD1 TYR A 58 10.707 -5.475 -2.040 1.00 0.00 H new ATOM 0 HD2 TYR A 58 11.033 -1.636 -0.120 1.00 0.00 H new ATOM 0 HE1 TYR A 58 13.086 -5.948 -1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 58 13.399 -2.120 0.448 1.00 0.00 H new ATOM 0 HH TYR A 58 15.152 -3.447 0.038 1.00 0.00 H new ATOM 953 N GLU A 59 7.046 -2.442 -3.679 1.00 0.00 N ATOM 954 CA GLU A 59 5.687 -1.946 -3.739 1.00 0.00 C ATOM 955 C GLU A 59 4.848 -2.750 -2.749 1.00 0.00 C ATOM 956 O GLU A 59 5.094 -3.943 -2.563 1.00 0.00 O ATOM 957 CB GLU A 59 5.131 -2.025 -5.168 1.00 0.00 C ATOM 958 CG GLU A 59 4.992 -3.463 -5.693 1.00 0.00 C ATOM 959 CD GLU A 59 4.597 -3.510 -7.166 1.00 0.00 C ATOM 960 OE1 GLU A 59 3.735 -2.693 -7.555 1.00 0.00 O ATOM 961 OE2 GLU A 59 5.168 -4.365 -7.880 1.00 0.00 O ATOM 0 H GLU A 59 7.108 -3.440 -3.880 1.00 0.00 H new ATOM 0 HA GLU A 59 5.656 -0.892 -3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.155 -1.540 -5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.785 -1.465 -5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.937 -3.989 -5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.244 -3.992 -5.102 1.00 0.00 H new ATOM 968 N TYR A 60 3.866 -2.093 -2.133 1.00 0.00 N ATOM 969 CA TYR A 60 2.857 -2.687 -1.283 1.00 0.00 C ATOM 970 C TYR A 60 1.538 -2.326 -1.946 1.00 0.00 C ATOM 971 O TYR A 60 1.416 -1.205 -2.437 1.00 0.00 O ATOM 972 CB TYR A 60 2.918 -2.074 0.120 1.00 0.00 C ATOM 973 CG TYR A 60 4.248 -2.218 0.831 1.00 0.00 C ATOM 974 CD1 TYR A 60 5.235 -1.228 0.682 1.00 0.00 C ATOM 975 CD2 TYR A 60 4.459 -3.287 1.719 1.00 0.00 C ATOM 976 CE1 TYR A 60 6.420 -1.299 1.434 1.00 0.00 C ATOM 977 CE2 TYR A 60 5.644 -3.357 2.471 1.00 0.00 C ATOM 978 CZ TYR A 60 6.621 -2.359 2.333 1.00 0.00 C ATOM 979 OH TYR A 60 7.736 -2.395 3.116 1.00 0.00 O ATOM 0 H TYR A 60 3.755 -1.083 -2.223 1.00 0.00 H new ATOM 0 HA TYR A 60 2.991 -3.763 -1.172 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.677 -1.014 0.046 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.144 -2.535 0.734 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.083 -0.413 -0.010 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.708 -4.057 1.824 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.177 -0.537 1.320 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.803 -4.178 3.154 1.00 0.00 H new ATOM 0 HH TYR A 60 8.241 -1.562 3.005 1.00 0.00 H new ATOM 989 N GLN A 61 0.577 -3.246 -1.972 1.00 0.00 N ATOM 990 CA GLN A 61 -0.748 -3.033 -2.522 1.00 0.00 C ATOM 991 C GLN A 61 -1.738 -3.656 -1.545 1.00 0.00 C ATOM 992 O GLN A 61 -1.704 -4.866 -1.323 1.00 0.00 O ATOM 993 CB GLN A 61 -0.819 -3.647 -3.925 1.00 0.00 C ATOM 994 CG GLN A 61 -2.083 -3.191 -4.663 1.00 0.00 C ATOM 995 CD GLN A 61 -2.077 -3.627 -6.126 1.00 0.00 C ATOM 996 OE1 GLN A 61 -1.396 -4.573 -6.506 1.00 0.00 O ATOM 997 NE2 GLN A 61 -2.848 -2.946 -6.968 1.00 0.00 N ATOM 0 H GLN A 61 0.708 -4.186 -1.599 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.989 -1.976 -2.638 1.00 0.00 H new ATOM 0 HB2 GLN A 61 0.063 -3.359 -4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.810 -4.734 -3.850 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.962 -3.601 -4.166 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.164 -2.105 -4.608 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.406 -2.162 -6.629 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.882 -3.207 -7.953 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.574 -2.835 -0.908 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.402 -3.278 0.205 1.00 0.00 C ATOM 1008 C LEU A 62 -4.690 -2.471 0.272 1.00 0.00 C ATOM 1009 O LEU A 62 -4.782 -1.405 -0.333 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.609 -3.167 1.517 1.00 0.00 C ATOM 1011 CG LEU A 62 -2.055 -1.750 1.771 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -2.503 -1.233 3.139 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -0.525 -1.764 1.704 1.00 0.00 C ATOM 0 H LEU A 62 -2.693 -1.851 -1.150 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.676 -4.322 0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.252 -3.454 2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.781 -3.876 1.495 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.445 -1.087 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.102 -0.232 3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.592 -1.198 3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.135 -1.900 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.144 -0.759 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.134 -2.442 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.207 -2.101 0.717 1.00 0.00 H new ATOM 1025 N TYR A 63 -5.681 -2.983 1.006 1.00 0.00 N ATOM 1026 CA TYR A 63 -6.945 -2.322 1.217 1.00 0.00 C ATOM 1027 C TYR A 63 -6.994 -1.704 2.610 1.00 0.00 C ATOM 1028 O TYR A 63 -6.530 -2.295 3.587 1.00 0.00 O ATOM 1029 CB TYR A 63 -8.068 -3.327 0.981 1.00 0.00 C ATOM 1030 CG TYR A 63 -8.369 -3.501 -0.492 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -7.597 -4.382 -1.270 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -9.296 -2.653 -1.119 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -7.853 -4.517 -2.646 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -9.559 -2.789 -2.492 1.00 0.00 C ATOM 1035 CZ TYR A 63 -8.852 -3.734 -3.251 1.00 0.00 C ATOM 1036 OH TYR A 63 -9.096 -3.845 -4.587 1.00 0.00 O ATOM 0 H TYR A 63 -5.613 -3.887 1.474 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.070 -1.501 0.511 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.790 -4.289 1.411 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.968 -2.994 1.499 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.806 -4.956 -0.810 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.808 -1.895 -0.545 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.284 -5.220 -3.236 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.305 -2.166 -2.963 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.819 -3.233 -4.840 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.553 -0.496 2.674 1.00 0.00 N ATOM 1047 CA VAL A 64 -7.699 0.301 3.879 1.00 0.00 C ATOM 1048 C VAL A 64 -9.169 0.692 4.012 1.00 0.00 C ATOM 1049 O VAL A 64 -9.795 1.064 3.020 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.807 1.552 3.791 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -6.885 2.365 5.090 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -5.341 1.195 3.514 1.00 0.00 C ATOM 0 H VAL A 64 -7.931 -0.031 1.848 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.389 -0.269 4.755 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.182 2.146 2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.247 3.245 5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.915 2.678 5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.548 1.750 5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.748 2.108 3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.962 0.563 4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.270 0.659 2.567 1.00 0.00 H new ATOM 1062 N TYR A 65 -9.706 0.609 5.232 1.00 0.00 N ATOM 1063 CA TYR A 65 -10.993 1.157 5.603 1.00 0.00 C ATOM 1064 C TYR A 65 -10.739 2.548 6.191 1.00 0.00 C ATOM 1065 O TYR A 65 -9.962 2.685 7.142 1.00 0.00 O ATOM 1066 CB TYR A 65 -11.688 0.234 6.618 1.00 0.00 C ATOM 1067 CG TYR A 65 -12.860 -0.554 6.065 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -13.989 0.130 5.580 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -12.879 -1.960 6.141 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -15.108 -0.585 5.121 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -13.994 -2.676 5.673 1.00 0.00 C ATOM 1072 CZ TYR A 65 -15.105 -1.990 5.157 1.00 0.00 C ATOM 1073 OH TYR A 65 -16.174 -2.690 4.684 1.00 0.00 O ATOM 0 H TYR A 65 -9.234 0.142 6.006 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.654 1.234 4.740 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.952 -0.466 7.014 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -12.037 0.837 7.456 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.996 1.210 5.560 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -12.035 -2.489 6.560 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.969 -0.056 4.741 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -13.996 -3.755 5.710 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.006 -3.650 4.783 1.00 0.00 H new ATOM 1083 N ALA A 66 -11.388 3.567 5.622 1.00 0.00 N ATOM 1084 CA ALA A 66 -11.267 4.955 6.038 1.00 0.00 C ATOM 1085 C ALA A 66 -12.659 5.565 6.195 1.00 0.00 C ATOM 1086 O ALA A 66 -13.455 5.551 5.256 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.442 5.719 5.004 1.00 0.00 C ATOM 0 H ALA A 66 -12.028 3.439 4.838 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.759 5.017 7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.348 6.761 5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.451 5.272 4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.938 5.670 4.035 1.00 0.00 H new ATOM 1093 N SER A 67 -12.975 6.050 7.395 1.00 0.00 N ATOM 1094 CA SER A 67 -14.248 6.565 7.875 1.00 0.00 C ATOM 1095 C SER A 67 -15.211 5.395 8.050 1.00 0.00 C ATOM 1096 O SER A 67 -15.630 5.074 9.158 1.00 0.00 O ATOM 1097 CB SER A 67 -14.784 7.681 6.960 1.00 0.00 C ATOM 1098 OG SER A 67 -15.760 8.450 7.634 1.00 0.00 O ATOM 0 H SER A 67 -12.268 6.094 8.129 1.00 0.00 H new ATOM 0 HA SER A 67 -14.123 7.041 8.848 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.963 8.323 6.641 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.215 7.245 6.059 1.00 0.00 H new ATOM 0 HG SER A 67 -16.089 9.156 7.039 1.00 0.00 H new ATOM 1104 N ASP A 68 -15.505 4.755 6.923 1.00 0.00 N ATOM 1105 CA ASP A 68 -16.366 3.591 6.725 1.00 0.00 C ATOM 1106 C ASP A 68 -16.285 3.083 5.273 1.00 0.00 C ATOM 1107 O ASP A 68 -17.097 2.249 4.879 1.00 0.00 O ATOM 1108 CB ASP A 68 -17.829 3.934 7.073 1.00 0.00 C ATOM 1109 CG ASP A 68 -18.151 3.857 8.562 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -17.871 2.790 9.151 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -18.699 4.857 9.075 1.00 0.00 O ATOM 0 H ASP A 68 -15.108 5.068 6.037 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.015 2.802 7.390 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -18.049 4.940 6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -18.488 3.253 6.534 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.338 3.567 4.458 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.222 3.209 3.052 1.00 0.00 C ATOM 1118 C LYS A 69 -13.928 2.429 2.848 1.00 0.00 C ATOM 1119 O LYS A 69 -12.873 2.856 3.312 1.00 0.00 O ATOM 1120 CB LYS A 69 -15.225 4.479 2.192 1.00 0.00 C ATOM 1121 CG LYS A 69 -16.566 5.226 2.199 1.00 0.00 C ATOM 1122 CD LYS A 69 -17.701 4.365 1.621 1.00 0.00 C ATOM 1123 CE LYS A 69 -18.942 5.197 1.275 1.00 0.00 C ATOM 1124 NZ LYS A 69 -18.711 6.076 0.114 1.00 0.00 N ATOM 0 H LYS A 69 -14.625 4.227 4.768 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.067 2.589 2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.444 5.150 2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.973 4.213 1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.814 5.518 3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.474 6.144 1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.347 3.854 0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.972 3.594 2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -19.778 4.530 1.064 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -19.225 5.801 2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -19.622 6.439 -0.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.106 6.873 0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.242 5.537 -0.642 1.00 0.00 H new ATOM 1138 N LEU A 70 -14.025 1.285 2.169 1.00 0.00 N ATOM 1139 CA LEU A 70 -12.904 0.427 1.827 1.00 0.00 C ATOM 1140 C LEU A 70 -12.330 0.904 0.492 1.00 0.00 C ATOM 1141 O LEU A 70 -13.070 0.995 -0.488 1.00 0.00 O ATOM 1142 CB LEU A 70 -13.412 -1.022 1.790 1.00 0.00 C ATOM 1143 CG LEU A 70 -12.349 -2.065 1.405 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -12.527 -3.332 2.251 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -12.493 -2.454 -0.070 1.00 0.00 C ATOM 0 H LEU A 70 -14.918 0.924 1.834 1.00 0.00 H new ATOM 0 HA LEU A 70 -12.098 0.472 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.814 -1.277 2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.238 -1.085 1.081 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.366 -1.627 1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.770 -4.065 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.419 -3.083 3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.519 -3.750 2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.734 -3.193 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.483 -2.877 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.365 -1.569 -0.694 1.00 0.00 H new ATOM 1157 N PHE A 71 -11.037 1.235 0.445 1.00 0.00 N ATOM 1158 CA PHE A 71 -10.342 1.622 -0.778 1.00 0.00 C ATOM 1159 C PHE A 71 -9.013 0.882 -0.880 1.00 0.00 C ATOM 1160 O PHE A 71 -8.490 0.409 0.129 1.00 0.00 O ATOM 1161 CB PHE A 71 -10.160 3.147 -0.842 1.00 0.00 C ATOM 1162 CG PHE A 71 -9.375 3.788 0.286 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -7.975 3.641 0.340 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -10.004 4.739 1.113 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -7.222 4.388 1.258 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -9.233 5.565 1.945 1.00 0.00 C ATOM 1167 CZ PHE A 71 -7.848 5.359 2.052 1.00 0.00 C ATOM 0 H PHE A 71 -10.437 1.241 1.270 1.00 0.00 H new ATOM 0 HA PHE A 71 -10.948 1.337 -1.638 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -9.665 3.391 -1.782 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -11.148 3.606 -0.873 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.480 2.951 -0.327 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -11.080 4.832 1.107 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.160 4.215 1.353 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.705 6.360 2.503 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.266 5.948 2.745 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.472 0.790 -2.099 1.00 0.00 N ATOM 1178 CA ARG A 72 -7.160 0.215 -2.359 1.00 0.00 C ATOM 1179 C ARG A 72 -6.113 1.326 -2.311 1.00 0.00 C ATOM 1180 O ARG A 72 -6.323 2.395 -2.884 1.00 0.00 O ATOM 1181 CB ARG A 72 -7.142 -0.454 -3.738 1.00 0.00 C ATOM 1182 CG ARG A 72 -5.934 -1.390 -3.890 1.00 0.00 C ATOM 1183 CD ARG A 72 -5.895 -2.009 -5.290 1.00 0.00 C ATOM 1184 NE ARG A 72 -5.526 -1.014 -6.310 1.00 0.00 N ATOM 1185 CZ ARG A 72 -5.540 -1.237 -7.632 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -5.845 -2.449 -8.107 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -5.238 -0.245 -8.475 1.00 0.00 N ATOM 0 H ARG A 72 -8.945 1.119 -2.941 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.936 -0.537 -1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.063 -1.019 -3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.112 0.310 -4.515 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.014 -0.835 -3.708 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.984 -2.180 -3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.179 -2.831 -5.306 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.871 -2.432 -5.529 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.239 -0.089 -5.988 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.068 -3.208 -7.463 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.855 -2.615 -9.113 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.998 0.678 -8.112 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.247 -0.410 -9.481 1.00 0.00 H new ATOM 1201 N ALA A 73 -4.976 1.065 -1.666 1.00 0.00 N ATOM 1202 CA ALA A 73 -3.802 1.917 -1.707 1.00 0.00 C ATOM 1203 C ALA A 73 -2.626 1.078 -2.199 1.00 0.00 C ATOM 1204 O ALA A 73 -2.451 -0.058 -1.753 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.528 2.490 -0.316 1.00 0.00 C ATOM 0 H ALA A 73 -4.849 0.234 -1.089 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.957 2.756 -2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.646 3.129 -0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.387 3.076 0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.356 1.674 0.386 1.00 0.00 H new ATOM 1211 N ASP A 74 -1.836 1.634 -3.121 1.00 0.00 N ATOM 1212 CA ASP A 74 -0.561 1.082 -3.549 1.00 0.00 C ATOM 1213 C ASP A 74 0.506 2.095 -3.171 1.00 0.00 C ATOM 1214 O ASP A 74 0.331 3.282 -3.445 1.00 0.00 O ATOM 1215 CB ASP A 74 -0.576 0.798 -5.053 1.00 0.00 C ATOM 1216 CG ASP A 74 0.644 -0.013 -5.485 1.00 0.00 C ATOM 1217 OD1 ASP A 74 1.767 0.511 -5.329 1.00 0.00 O ATOM 1218 OD2 ASP A 74 0.426 -1.143 -5.972 1.00 0.00 O ATOM 0 H ASP A 74 -2.077 2.502 -3.599 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.357 0.128 -3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.485 0.255 -5.312 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.600 1.740 -5.601 1.00 0.00 H new ATOM 1223 N ILE A 75 1.569 1.637 -2.513 1.00 0.00 N ATOM 1224 CA ILE A 75 2.632 2.457 -1.947 1.00 0.00 C ATOM 1225 C ILE A 75 3.952 1.867 -2.431 1.00 0.00 C ATOM 1226 O ILE A 75 4.095 0.647 -2.403 1.00 0.00 O ATOM 1227 CB ILE A 75 2.560 2.444 -0.405 1.00 0.00 C ATOM 1228 CG1 ILE A 75 1.215 2.991 0.108 1.00 0.00 C ATOM 1229 CG2 ILE A 75 3.698 3.265 0.217 1.00 0.00 C ATOM 1230 CD1 ILE A 75 0.234 1.856 0.407 1.00 0.00 C ATOM 0 H ILE A 75 1.717 0.640 -2.354 1.00 0.00 H new ATOM 0 HA ILE A 75 2.535 3.495 -2.264 1.00 0.00 H new ATOM 0 HB ILE A 75 2.659 1.401 -0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.379 3.580 1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.784 3.661 -0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.617 3.234 1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.657 2.846 -0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.629 4.298 -0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.706 2.273 0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.052 1.283 -0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.656 1.201 1.169 1.00 0.00 H new ATOM 1242 N SER A 76 4.907 2.699 -2.851 1.00 0.00 N ATOM 1243 CA SER A 76 6.260 2.271 -3.168 1.00 0.00 C ATOM 1244 C SER A 76 7.195 2.667 -2.027 1.00 0.00 C ATOM 1245 O SER A 76 6.924 3.647 -1.337 1.00 0.00 O ATOM 1246 CB SER A 76 6.695 2.880 -4.504 1.00 0.00 C ATOM 1247 OG SER A 76 6.310 4.239 -4.572 1.00 0.00 O ATOM 0 H SER A 76 4.755 3.699 -2.980 1.00 0.00 H new ATOM 0 HA SER A 76 6.299 1.187 -3.274 1.00 0.00 H new ATOM 0 HB2 SER A 76 7.776 2.795 -4.615 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.245 2.326 -5.328 1.00 0.00 H new ATOM 0 HG SER A 76 6.297 4.529 -5.508 1.00 0.00 H new ATOM 1253 N GLU A 77 8.274 1.904 -1.831 1.00 0.00 N ATOM 1254 CA GLU A 77 9.363 2.155 -0.894 1.00 0.00 C ATOM 1255 C GLU A 77 10.657 2.097 -1.695 1.00 0.00 C ATOM 1256 O GLU A 77 10.942 1.054 -2.277 1.00 0.00 O ATOM 1257 CB GLU A 77 9.335 1.091 0.209 1.00 0.00 C ATOM 1258 CG GLU A 77 10.553 1.143 1.148 1.00 0.00 C ATOM 1259 CD GLU A 77 10.507 0.049 2.213 1.00 0.00 C ATOM 1260 OE1 GLU A 77 9.385 -0.279 2.658 1.00 0.00 O ATOM 1261 OE2 GLU A 77 11.599 -0.454 2.555 1.00 0.00 O ATOM 0 H GLU A 77 8.415 1.042 -2.357 1.00 0.00 H new ATOM 0 HA GLU A 77 9.272 3.128 -0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.427 1.215 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.284 0.104 -0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.466 1.039 0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.595 2.118 1.633 1.00 0.00 H new ATOM 1268 N ASP A 78 11.423 3.192 -1.727 1.00 0.00 N ATOM 1269 CA ASP A 78 12.720 3.234 -2.392 1.00 0.00 C ATOM 1270 C ASP A 78 13.801 2.869 -1.376 1.00 0.00 C ATOM 1271 O ASP A 78 13.965 3.570 -0.379 1.00 0.00 O ATOM 1272 CB ASP A 78 12.970 4.625 -2.978 1.00 0.00 C ATOM 1273 CG ASP A 78 14.347 4.685 -3.633 1.00 0.00 C ATOM 1274 OD1 ASP A 78 14.428 4.315 -4.824 1.00 0.00 O ATOM 1275 OD2 ASP A 78 15.297 5.084 -2.924 1.00 0.00 O ATOM 0 H ASP A 78 11.156 4.074 -1.290 1.00 0.00 H new ATOM 0 HA ASP A 78 12.741 2.519 -3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.200 4.861 -3.712 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.901 5.376 -2.191 1.00 0.00 H new ATOM 1280 N TYR A 79 14.534 1.784 -1.630 1.00 0.00 N ATOM 1281 CA TYR A 79 15.483 1.203 -0.692 1.00 0.00 C ATOM 1282 C TYR A 79 16.592 2.195 -0.331 1.00 0.00 C ATOM 1283 O TYR A 79 16.911 2.360 0.842 1.00 0.00 O ATOM 1284 CB TYR A 79 16.045 -0.092 -1.298 1.00 0.00 C ATOM 1285 CG TYR A 79 16.970 -0.895 -0.403 1.00 0.00 C ATOM 1286 CD1 TYR A 79 16.494 -1.422 0.812 1.00 0.00 C ATOM 1287 CD2 TYR A 79 18.262 -1.234 -0.849 1.00 0.00 C ATOM 1288 CE1 TYR A 79 17.304 -2.277 1.580 1.00 0.00 C ATOM 1289 CE2 TYR A 79 19.072 -2.087 -0.080 1.00 0.00 C ATOM 1290 CZ TYR A 79 18.591 -2.614 1.128 1.00 0.00 C ATOM 1291 OH TYR A 79 19.371 -3.467 1.851 1.00 0.00 O ATOM 0 H TYR A 79 14.480 1.277 -2.514 1.00 0.00 H new ATOM 0 HA TYR A 79 14.974 0.966 0.242 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.208 -0.728 -1.587 1.00 0.00 H new ATOM 0 HB3 TYR A 79 16.584 0.161 -2.211 1.00 0.00 H new ATOM 0 HD1 TYR A 79 15.502 -1.169 1.156 1.00 0.00 H new ATOM 0 HD2 TYR A 79 18.631 -0.838 -1.784 1.00 0.00 H new ATOM 0 HE1 TYR A 79 16.938 -2.674 2.515 1.00 0.00 H new ATOM 0 HE2 TYR A 79 20.066 -2.337 -0.419 1.00 0.00 H new ATOM 0 HH TYR A 79 20.229 -3.592 1.394 1.00 0.00 H new ATOM 1301 N LYS A 80 17.172 2.864 -1.333 1.00 0.00 N ATOM 1302 CA LYS A 80 18.278 3.787 -1.131 1.00 0.00 C ATOM 1303 C LYS A 80 17.861 4.985 -0.274 1.00 0.00 C ATOM 1304 O LYS A 80 18.557 5.339 0.673 1.00 0.00 O ATOM 1305 CB LYS A 80 18.829 4.256 -2.487 1.00 0.00 C ATOM 1306 CG LYS A 80 20.032 3.420 -2.947 1.00 0.00 C ATOM 1307 CD LYS A 80 20.708 4.100 -4.147 1.00 0.00 C ATOM 1308 CE LYS A 80 22.056 3.454 -4.496 1.00 0.00 C ATOM 1309 NZ LYS A 80 21.901 2.066 -4.963 1.00 0.00 N ATOM 0 H LYS A 80 16.882 2.776 -2.307 1.00 0.00 H new ATOM 0 HA LYS A 80 19.065 3.258 -0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 80 18.040 4.197 -3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 80 19.123 5.303 -2.415 1.00 0.00 H new ATOM 0 HG2 LYS A 80 20.745 3.311 -2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 80 19.706 2.417 -3.222 1.00 0.00 H new ATOM 0 HD2 LYS A 80 20.047 4.047 -5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 80 20.860 5.156 -3.926 1.00 0.00 H new ATOM 0 HE2 LYS A 80 22.550 4.043 -5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 80 22.703 3.471 -3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 22.836 1.669 -5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 21.453 1.497 -4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 21.305 2.051 -5.815 1.00 0.00 H new ATOM 1323 N THR A 81 16.743 5.630 -0.616 1.00 0.00 N ATOM 1324 CA THR A 81 16.259 6.787 0.116 1.00 0.00 C ATOM 1325 C THR A 81 15.731 6.329 1.474 1.00 0.00 C ATOM 1326 O THR A 81 15.749 7.087 2.440 1.00 0.00 O ATOM 1327 CB THR A 81 15.165 7.485 -0.708 1.00 0.00 C ATOM 1328 OG1 THR A 81 15.597 7.661 -2.044 1.00 0.00 O ATOM 1329 CG2 THR A 81 14.823 8.866 -0.144 1.00 0.00 C ATOM 0 H THR A 81 16.155 5.361 -1.405 1.00 0.00 H new ATOM 0 HA THR A 81 17.065 7.502 0.284 1.00 0.00 H new ATOM 0 HB THR A 81 14.282 6.848 -0.664 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.507 6.815 -2.531 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.046 9.326 -0.754 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.466 8.762 0.881 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.713 9.495 -0.156 1.00 0.00 H new ATOM 1337 N ARG A 82 15.219 5.094 1.526 1.00 0.00 N ATOM 1338 CA ARG A 82 14.497 4.551 2.659 1.00 0.00 C ATOM 1339 C ARG A 82 13.288 5.441 2.954 1.00 0.00 C ATOM 1340 O ARG A 82 12.968 5.734 4.103 1.00 0.00 O ATOM 1341 CB ARG A 82 15.440 4.388 3.857 1.00 0.00 C ATOM 1342 CG ARG A 82 14.923 3.264 4.755 1.00 0.00 C ATOM 1343 CD ARG A 82 15.265 3.524 6.227 1.00 0.00 C ATOM 1344 NE ARG A 82 16.704 3.738 6.434 1.00 0.00 N ATOM 1345 CZ ARG A 82 17.620 2.773 6.597 1.00 0.00 C ATOM 1346 NH1 ARG A 82 17.271 1.485 6.508 1.00 0.00 N ATOM 1347 NH2 ARG A 82 18.889 3.109 6.849 1.00 0.00 N ATOM 0 H ARG A 82 15.304 4.434 0.753 1.00 0.00 H new ATOM 0 HA ARG A 82 14.118 3.554 2.434 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.449 4.160 3.513 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.498 5.320 4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.843 3.173 4.641 1.00 0.00 H new ATOM 0 HG3 ARG A 82 15.358 2.315 4.441 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.716 4.398 6.577 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.935 2.678 6.830 1.00 0.00 H new ATOM 0 HE ARG A 82 17.034 4.703 6.455 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.302 1.231 6.315 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.974 0.756 6.633 1.00 0.00 H new ATOM 0 HH21 ARG A 82 19.153 4.092 6.916 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.594 2.382 6.975 1.00 0.00 H new ATOM 1361 N GLY A 83 12.621 5.861 1.880 1.00 0.00 N ATOM 1362 CA GLY A 83 11.448 6.711 1.904 1.00 0.00 C ATOM 1363 C GLY A 83 10.408 6.062 1.007 1.00 0.00 C ATOM 1364 O GLY A 83 10.768 5.338 0.073 1.00 0.00 O ATOM 0 H GLY A 83 12.901 5.603 0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.069 6.815 2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.691 7.713 1.550 1.00 0.00 H new ATOM 1368 N ARG A 84 9.129 6.284 1.317 1.00 0.00 N ATOM 1369 CA ARG A 84 8.020 5.670 0.621 1.00 0.00 C ATOM 1370 C ARG A 84 7.136 6.747 0.015 1.00 0.00 C ATOM 1371 O ARG A 84 7.243 7.916 0.386 1.00 0.00 O ATOM 1372 CB ARG A 84 7.193 4.841 1.607 1.00 0.00 C ATOM 1373 CG ARG A 84 8.044 4.042 2.600 1.00 0.00 C ATOM 1374 CD ARG A 84 7.189 3.011 3.343 1.00 0.00 C ATOM 1375 NE ARG A 84 7.896 2.511 4.531 1.00 0.00 N ATOM 1376 CZ ARG A 84 7.639 1.367 5.183 1.00 0.00 C ATOM 1377 NH1 ARG A 84 6.798 0.458 4.679 1.00 0.00 N ATOM 1378 NH2 ARG A 84 8.228 1.143 6.361 1.00 0.00 N ATOM 0 H ARG A 84 8.841 6.907 2.072 1.00 0.00 H new ATOM 0 HA ARG A 84 8.406 5.026 -0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.530 5.506 2.161 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.559 4.153 1.048 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.851 3.537 2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.508 4.720 3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.242 3.462 3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.952 2.180 2.678 1.00 0.00 H new ATOM 0 HE ARG A 84 8.654 3.089 4.894 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.339 0.628 3.784 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.615 -0.406 5.189 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.864 1.837 6.754 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.042 0.278 6.868 1.00 0.00 H new ATOM 1392 N LYS A 85 6.224 6.334 -0.863 1.00 0.00 N ATOM 1393 CA LYS A 85 5.179 7.209 -1.358 1.00 0.00 C ATOM 1394 C LYS A 85 3.981 6.445 -1.899 1.00 0.00 C ATOM 1395 O LYS A 85 4.121 5.351 -2.436 1.00 0.00 O ATOM 1396 CB LYS A 85 5.706 8.244 -2.361 1.00 0.00 C ATOM 1397 CG LYS A 85 6.199 7.722 -3.719 1.00 0.00 C ATOM 1398 CD LYS A 85 7.624 7.155 -3.653 1.00 0.00 C ATOM 1399 CE LYS A 85 8.224 6.962 -5.054 1.00 0.00 C ATOM 1400 NZ LYS A 85 8.454 8.244 -5.747 1.00 0.00 N ATOM 0 H LYS A 85 6.194 5.389 -1.245 1.00 0.00 H new ATOM 0 HA LYS A 85 4.821 7.768 -0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.913 8.969 -2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.527 8.784 -1.889 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.520 6.947 -4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.168 8.532 -4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.257 7.828 -3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.612 6.200 -3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.167 6.422 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.554 6.344 -5.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.108 8.096 -6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.550 8.612 -6.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.867 8.929 -5.082 1.00 0.00 H new ATOM 1414 N LEU A 86 2.801 7.044 -1.744 1.00 0.00 N ATOM 1415 CA LEU A 86 1.553 6.603 -2.337 1.00 0.00 C ATOM 1416 C LEU A 86 1.739 6.550 -3.854 1.00 0.00 C ATOM 1417 O LEU A 86 1.865 7.586 -4.501 1.00 0.00 O ATOM 1418 CB LEU A 86 0.464 7.603 -1.916 1.00 0.00 C ATOM 1419 CG LEU A 86 -0.954 7.286 -2.413 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -1.509 6.012 -1.767 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -1.853 8.475 -2.051 1.00 0.00 C ATOM 0 H LEU A 86 2.691 7.885 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 86 1.257 5.609 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.445 7.656 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.744 8.592 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.927 7.121 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.514 5.821 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.863 5.169 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.545 6.139 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.870 8.279 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.853 8.615 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.476 9.377 -2.534 1.00 0.00 H new ATOM 1433 N LEU A 87 1.768 5.342 -4.417 1.00 0.00 N ATOM 1434 CA LEU A 87 1.857 5.123 -5.850 1.00 0.00 C ATOM 1435 C LEU A 87 0.506 5.482 -6.460 1.00 0.00 C ATOM 1436 O LEU A 87 0.440 6.299 -7.375 1.00 0.00 O ATOM 1437 CB LEU A 87 2.249 3.661 -6.151 1.00 0.00 C ATOM 1438 CG LEU A 87 3.519 3.551 -7.009 1.00 0.00 C ATOM 1439 CD1 LEU A 87 3.948 2.082 -7.104 1.00 0.00 C ATOM 1440 CD2 LEU A 87 3.306 4.099 -8.426 1.00 0.00 C ATOM 0 H LEU A 87 1.729 4.478 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 87 2.633 5.751 -6.288 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.403 3.130 -5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.425 3.167 -6.665 1.00 0.00 H new ATOM 0 HG LEU A 87 4.293 4.148 -6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.849 2.005 -7.713 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.151 1.697 -6.105 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.149 1.499 -7.562 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.229 4.001 -8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.513 3.536 -8.919 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.023 5.150 -8.371 1.00 0.00 H new ATOM 1452 N ARG A 88 -0.569 4.868 -5.950 1.00 0.00 N ATOM 1453 CA ARG A 88 -1.939 5.187 -6.335 1.00 0.00 C ATOM 1454 C ARG A 88 -2.874 4.929 -5.156 1.00 0.00 C ATOM 1455 O ARG A 88 -2.573 4.124 -4.275 1.00 0.00 O ATOM 1456 CB ARG A 88 -2.421 4.360 -7.543 1.00 0.00 C ATOM 1457 CG ARG A 88 -1.810 4.766 -8.895 1.00 0.00 C ATOM 1458 CD ARG A 88 -0.631 3.875 -9.290 1.00 0.00 C ATOM 1459 NE ARG A 88 -1.075 2.499 -9.545 1.00 0.00 N ATOM 1460 CZ ARG A 88 -1.387 1.993 -10.747 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -1.440 2.780 -11.828 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -1.649 0.687 -10.862 1.00 0.00 N ATOM 0 H ARG A 88 -0.505 4.128 -5.251 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.955 6.238 -6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.193 3.310 -7.359 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.506 4.444 -7.612 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.577 4.714 -9.668 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.478 5.803 -8.844 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.149 4.277 -10.181 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.115 3.879 -8.495 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.153 1.876 -8.741 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.242 3.777 -11.743 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.679 2.383 -12.737 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.611 0.085 -10.040 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.887 0.293 -11.772 1.00 0.00 H new ATOM 1476 N PHE A 89 -4.023 5.607 -5.188 1.00 0.00 N ATOM 1477 CA PHE A 89 -5.182 5.395 -4.338 1.00 0.00 C ATOM 1478 C PHE A 89 -6.303 5.080 -5.317 1.00 0.00 C ATOM 1479 O PHE A 89 -6.481 5.834 -6.271 1.00 0.00 O ATOM 1480 CB PHE A 89 -5.472 6.696 -3.577 1.00 0.00 C ATOM 1481 CG PHE A 89 -6.584 6.657 -2.542 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -7.935 6.680 -2.944 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -6.267 6.893 -1.190 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -8.946 6.976 -2.011 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -7.267 7.298 -0.290 1.00 0.00 C ATOM 1486 CZ PHE A 89 -8.607 7.369 -0.705 1.00 0.00 C ATOM 0 H PHE A 89 -4.172 6.366 -5.853 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.053 4.603 -3.600 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.555 7.008 -3.077 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.715 7.468 -4.307 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.195 6.470 -3.971 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.252 6.762 -0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -9.984 6.901 -2.299 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.004 7.556 0.725 1.00 0.00 H new ATOM 0 HZ PHE A 89 -9.370 7.722 -0.027 1.00 0.00 H new ATOM 1496 N ASN A 90 -7.025 3.974 -5.137 1.00 0.00 N ATOM 1497 CA ASN A 90 -8.095 3.572 -6.027 1.00 0.00 C ATOM 1498 C ASN A 90 -9.260 3.090 -5.182 1.00 0.00 C ATOM 1499 O ASN A 90 -9.074 2.665 -4.044 1.00 0.00 O ATOM 1500 CB ASN A 90 -7.614 2.448 -6.944 1.00 0.00 C ATOM 1501 CG ASN A 90 -6.468 2.858 -7.864 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -5.343 2.388 -7.707 1.00 0.00 O ATOM 1503 ND2 ASN A 90 -6.736 3.713 -8.846 1.00 0.00 N ATOM 0 H ASN A 90 -6.876 3.331 -4.359 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.405 4.413 -6.647 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.294 1.604 -6.333 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.451 2.103 -7.551 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -5.999 3.994 -9.492 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -7.679 4.088 -8.953 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.467 3.156 -5.733 1.00 0.00 N ATOM 1511 CA GLY A 91 -11.685 2.941 -4.975 1.00 0.00 C ATOM 1512 C GLY A 91 -12.266 4.293 -4.553 1.00 0.00 C ATOM 1513 O GLY A 91 -11.922 5.309 -5.161 1.00 0.00 O ATOM 0 H GLY A 91 -10.624 3.361 -6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.410 2.393 -5.578 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.476 2.332 -4.096 1.00 0.00 H new ATOM 1517 N PRO A 92 -13.127 4.341 -3.525 1.00 0.00 N ATOM 1518 CA PRO A 92 -13.536 3.211 -2.702 1.00 0.00 C ATOM 1519 C PRO A 92 -14.341 2.183 -3.497 1.00 0.00 C ATOM 1520 O PRO A 92 -14.878 2.498 -4.556 1.00 0.00 O ATOM 1521 CB PRO A 92 -14.349 3.820 -1.557 1.00 0.00 C ATOM 1522 CG PRO A 92 -14.922 5.097 -2.171 1.00 0.00 C ATOM 1523 CD PRO A 92 -13.796 5.557 -3.098 1.00 0.00 C ATOM 0 HA PRO A 92 -12.675 2.656 -2.329 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.138 3.146 -1.221 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -13.724 4.036 -0.691 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -15.845 4.905 -2.719 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -15.152 5.844 -1.411 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -14.190 6.109 -3.951 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -13.107 6.223 -2.579 1.00 0.00 H new