USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 623 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 43 MET CE :methyl -170:sc= -2.48 (180deg=-3.28) USER MOD Set 1.2: A 47 SER OG : rot -155:sc= 0.438 USER MOD Set 2.1: A 27 SER OG : rot 170:sc= 0 USER MOD Set 2.2: A 46 TYR OH : rot 180:sc= -0.0309 USER MOD Set 2.3: A 50 GLN : amide:sc= -0.271 K(o=-0.3,f=-1.4) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 16 HIS : no HD1:sc= -0.267 X(o=-0.27,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.81) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= -0.431 (180deg=-0.955) USER MOD Single : A 24 GLN : amide:sc=-0.00351 X(o=-0.0035,f=-0.02) USER MOD Single : A 30 GLN : amide:sc= -0.0368 X(o=-0.037,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=-0.46) USER MOD Single : A 37 THR OG1 : rot -173:sc= -0.879 USER MOD Single : A 40 SER OG : rot 180:sc= -0.171 USER MOD Single : A 41 LYS NZ :NH3+ 146:sc= -0.0215 (180deg=-0.879) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 146:sc= -0.133 (180deg=-0.79) USER MOD Single : A 56 GLN : amide:sc= -0.365 X(o=-0.37,f=-0.4) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.0751 X(o=-0.075,f=-0.53) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.898 USER MOD Single : A 74 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.64) USER MOD Single : A 77 MET CE :methyl -131:sc= 0 (180deg=-1) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.634 K(o=-0.63,f=-5.3!) USER MOD Single : A 88 GLN : amide:sc= -0.0637 X(o=-0.064,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.0607 X(o=-0.061,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0136 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -21.172 -5.098 4.219 1.00 0.00 N ATOM 2 CA ASN A 14 -19.879 -4.397 4.460 1.00 0.00 C ATOM 3 C ASN A 14 -19.282 -3.861 3.159 1.00 0.00 C ATOM 4 O ASN A 14 -19.785 -4.150 2.071 1.00 0.00 O ATOM 5 CB ASN A 14 -18.902 -5.373 5.128 1.00 0.00 C ATOM 6 CG ASN A 14 -18.818 -5.170 6.630 1.00 0.00 C ATOM 7 OD1 ASN A 14 -19.837 -5.040 7.307 1.00 0.00 O ATOM 8 ND2 ASN A 14 -17.599 -5.142 7.162 1.00 0.00 N ATOM 0 HA ASN A 14 -20.060 -3.543 5.113 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -19.215 -6.396 4.919 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -17.911 -5.247 4.691 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -17.484 -5.009 8.167 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -16.779 -5.254 6.565 1.00 0.00 H new ATOM 17 N ASP A 15 -18.210 -3.077 3.282 1.00 0.00 N ATOM 18 CA ASP A 15 -17.544 -2.496 2.118 1.00 0.00 C ATOM 19 C ASP A 15 -16.065 -2.233 2.405 1.00 0.00 C ATOM 20 O ASP A 15 -15.700 -1.174 2.920 1.00 0.00 O ATOM 21 CB ASP A 15 -18.243 -1.196 1.706 1.00 0.00 C ATOM 22 CG ASP A 15 -18.137 -0.925 0.218 1.00 0.00 C ATOM 23 OD1 ASP A 15 -18.655 -1.742 -0.574 1.00 0.00 O ATOM 24 OD2 ASP A 15 -17.537 0.104 -0.157 1.00 0.00 O ATOM 0 H ASP A 15 -17.785 -2.830 4.176 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.607 -3.211 1.297 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -19.295 -1.248 1.988 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -17.806 -0.362 2.256 1.00 0.00 H new ATOM 29 N HIS A 16 -15.218 -3.207 2.067 1.00 0.00 N ATOM 30 CA HIS A 16 -13.778 -3.091 2.284 1.00 0.00 C ATOM 31 C HIS A 16 -13.009 -3.961 1.291 1.00 0.00 C ATOM 32 O HIS A 16 -13.258 -5.164 1.189 1.00 0.00 O ATOM 33 CB HIS A 16 -13.421 -3.497 3.717 1.00 0.00 C ATOM 34 CG HIS A 16 -13.441 -2.358 4.691 1.00 0.00 C ATOM 35 ND1 HIS A 16 -14.461 -2.158 5.597 1.00 0.00 N ATOM 36 CD2 HIS A 16 -12.554 -1.357 4.901 1.00 0.00 C ATOM 37 CE1 HIS A 16 -14.199 -1.085 6.322 1.00 0.00 C ATOM 38 NE2 HIS A 16 -13.048 -0.580 5.920 1.00 0.00 N ATOM 0 H HIS A 16 -15.508 -4.087 1.641 1.00 0.00 H new ATOM 0 HA HIS A 16 -13.494 -2.050 2.128 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -14.121 -4.262 4.053 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.429 -3.948 3.720 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -11.629 -1.199 4.366 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.822 -0.688 7.110 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.599 0.252 6.303 1.00 0.00 H new ATOM 47 N ILE A 17 -12.076 -3.346 0.561 1.00 0.00 N ATOM 48 CA ILE A 17 -11.275 -4.070 -0.425 1.00 0.00 C ATOM 49 C ILE A 17 -10.120 -4.817 0.241 1.00 0.00 C ATOM 50 O ILE A 17 -9.371 -4.245 1.036 1.00 0.00 O ATOM 51 CB ILE A 17 -10.719 -3.133 -1.525 1.00 0.00 C ATOM 52 CG1 ILE A 17 -9.807 -2.060 -0.919 1.00 0.00 C ATOM 53 CG2 ILE A 17 -11.862 -2.490 -2.302 1.00 0.00 C ATOM 54 CD1 ILE A 17 -9.292 -1.057 -1.930 1.00 0.00 C ATOM 0 H ILE A 17 -11.858 -2.352 0.634 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.943 -4.791 -0.896 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.124 -3.731 -2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.354 -1.529 -0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.958 -2.546 -0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.455 -1.834 -3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.466 -3.267 -2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.483 -1.908 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.654 -0.329 -1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.717 -1.576 -2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.134 -0.543 -2.394 1.00 0.00 H new ATOM 66 N ASN A 18 -9.990 -6.104 -0.085 1.00 0.00 N ATOM 67 CA ASN A 18 -8.933 -6.941 0.484 1.00 0.00 C ATOM 68 C ASN A 18 -7.666 -6.894 -0.372 1.00 0.00 C ATOM 69 O ASN A 18 -7.651 -7.364 -1.511 1.00 0.00 O ATOM 70 CB ASN A 18 -9.417 -8.392 0.645 1.00 0.00 C ATOM 71 CG ASN A 18 -9.836 -9.031 -0.669 1.00 0.00 C ATOM 72 OD1 ASN A 18 -10.944 -8.808 -1.152 1.00 0.00 O ATOM 73 ND2 ASN A 18 -8.950 -9.831 -1.254 1.00 0.00 N ATOM 0 H ASN A 18 -10.603 -6.589 -0.740 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.689 -6.543 1.469 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.621 -8.986 1.093 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.259 -8.413 1.337 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.179 -10.286 -2.137 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.041 -9.989 -0.819 1.00 0.00 H new ATOM 80 N LEU A 19 -6.603 -6.318 0.187 1.00 0.00 N ATOM 81 CA LEU A 19 -5.332 -6.204 -0.521 1.00 0.00 C ATOM 82 C LEU A 19 -4.201 -6.863 0.263 1.00 0.00 C ATOM 83 O LEU A 19 -4.057 -6.644 1.468 1.00 0.00 O ATOM 84 CB LEU A 19 -4.998 -4.733 -0.779 1.00 0.00 C ATOM 85 CG LEU A 19 -5.499 -4.179 -2.114 1.00 0.00 C ATOM 86 CD1 LEU A 19 -6.969 -3.795 -2.017 1.00 0.00 C ATOM 87 CD2 LEU A 19 -4.658 -2.984 -2.539 1.00 0.00 C ATOM 0 H LEU A 19 -6.598 -5.924 1.128 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.434 -6.722 -1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.421 -4.134 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.916 -4.609 -0.735 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.401 -4.957 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.307 -3.403 -2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.558 -4.674 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.096 -3.032 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.026 -2.600 -3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.727 -2.203 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.618 -3.292 -2.650 1.00 0.00 H new ATOM 99 N LYS A 20 -3.397 -7.665 -0.435 1.00 0.00 N ATOM 100 CA LYS A 20 -2.268 -8.355 0.181 1.00 0.00 C ATOM 101 C LYS A 20 -0.960 -7.636 -0.146 1.00 0.00 C ATOM 102 O LYS A 20 -0.533 -7.606 -1.302 1.00 0.00 O ATOM 103 CB LYS A 20 -2.200 -9.807 -0.305 1.00 0.00 C ATOM 104 CG LYS A 20 -2.867 -10.803 0.632 1.00 0.00 C ATOM 105 CD LYS A 20 -4.355 -10.935 0.341 1.00 0.00 C ATOM 106 CE LYS A 20 -4.636 -12.051 -0.657 1.00 0.00 C ATOM 107 NZ LYS A 20 -4.230 -11.678 -2.043 1.00 0.00 N ATOM 0 H LYS A 20 -3.509 -7.852 -1.431 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.412 -8.350 1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.671 -9.874 -1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.155 -10.088 -0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.388 -11.777 0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.724 -10.484 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.891 -11.133 1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.734 -9.992 -0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.102 -12.952 -0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.699 -12.290 -0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.687 -12.319 -2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.523 -10.700 -2.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.197 -11.755 -2.135 1.00 0.00 H new ATOM 121 N VAL A 21 -0.333 -7.056 0.876 1.00 0.00 N ATOM 122 CA VAL A 21 0.925 -6.334 0.696 1.00 0.00 C ATOM 123 C VAL A 21 2.123 -7.264 0.879 1.00 0.00 C ATOM 124 O VAL A 21 2.260 -7.916 1.916 1.00 0.00 O ATOM 125 CB VAL A 21 1.049 -5.150 1.682 1.00 0.00 C ATOM 126 CG1 VAL A 21 2.237 -4.270 1.318 1.00 0.00 C ATOM 127 CG2 VAL A 21 -0.237 -4.333 1.714 1.00 0.00 C ATOM 0 H VAL A 21 -0.675 -7.072 1.837 1.00 0.00 H new ATOM 0 HA VAL A 21 0.921 -5.945 -0.322 1.00 0.00 H new ATOM 0 HB VAL A 21 1.217 -5.556 2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.307 -3.443 2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.153 -4.860 1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.103 -3.877 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.125 -3.506 2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.443 -3.940 0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.064 -4.968 2.032 1.00 0.00 H new ATOM 137 N ALA A 22 2.986 -7.316 -0.136 1.00 0.00 N ATOM 138 CA ALA A 22 4.175 -8.162 -0.098 1.00 0.00 C ATOM 139 C ALA A 22 5.435 -7.330 0.119 1.00 0.00 C ATOM 140 O ALA A 22 5.801 -6.510 -0.724 1.00 0.00 O ATOM 141 CB ALA A 22 4.290 -8.970 -1.381 1.00 0.00 C ATOM 0 H ALA A 22 2.881 -6.779 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 22 4.074 -8.848 0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.181 -9.596 -1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.408 -9.601 -1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.363 -8.293 -2.232 1.00 0.00 H new ATOM 147 N GLY A 23 6.091 -7.547 1.254 1.00 0.00 N ATOM 148 CA GLY A 23 7.301 -6.813 1.570 1.00 0.00 C ATOM 149 C GLY A 23 8.523 -7.366 0.861 1.00 0.00 C ATOM 150 O GLY A 23 8.603 -8.565 0.588 1.00 0.00 O ATOM 0 H GLY A 23 5.804 -8.222 1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.169 -5.767 1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.467 -6.841 2.647 1.00 0.00 H new ATOM 154 N GLN A 24 9.476 -6.482 0.572 1.00 0.00 N ATOM 155 CA GLN A 24 10.718 -6.860 -0.104 1.00 0.00 C ATOM 156 C GLN A 24 11.439 -7.992 0.635 1.00 0.00 C ATOM 157 O GLN A 24 12.083 -8.834 0.009 1.00 0.00 O ATOM 158 CB GLN A 24 11.637 -5.640 -0.216 1.00 0.00 C ATOM 159 CG GLN A 24 12.904 -5.884 -1.021 1.00 0.00 C ATOM 160 CD GLN A 24 13.797 -4.659 -1.067 1.00 0.00 C ATOM 161 OE1 GLN A 24 14.162 -4.104 -0.030 1.00 0.00 O ATOM 162 NE2 GLN A 24 14.151 -4.223 -2.271 1.00 0.00 N ATOM 0 H GLN A 24 9.411 -5.489 0.798 1.00 0.00 H new ATOM 0 HA GLN A 24 10.464 -7.221 -1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.081 -4.822 -0.674 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.914 -5.315 0.787 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.455 -6.717 -0.585 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.637 -6.175 -2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.827 -4.711 -3.106 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.747 -3.400 -2.361 1.00 0.00 H new ATOM 171 N ASP A 25 11.330 -8.008 1.966 1.00 0.00 N ATOM 172 CA ASP A 25 11.979 -9.040 2.772 1.00 0.00 C ATOM 173 C ASP A 25 11.015 -10.184 3.114 1.00 0.00 C ATOM 174 O ASP A 25 11.125 -10.801 4.175 1.00 0.00 O ATOM 175 CB ASP A 25 12.551 -8.426 4.055 1.00 0.00 C ATOM 176 CG ASP A 25 13.980 -8.862 4.319 1.00 0.00 C ATOM 177 OD1 ASP A 25 14.841 -8.636 3.442 1.00 0.00 O ATOM 178 OD2 ASP A 25 14.238 -9.429 5.401 1.00 0.00 O ATOM 0 H ASP A 25 10.801 -7.321 2.504 1.00 0.00 H new ATOM 0 HA ASP A 25 12.792 -9.460 2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.513 -7.339 3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.925 -8.711 4.901 1.00 0.00 H new ATOM 183 N GLY A 26 10.078 -10.469 2.206 1.00 0.00 N ATOM 184 CA GLY A 26 9.122 -11.543 2.429 1.00 0.00 C ATOM 185 C GLY A 26 8.119 -11.226 3.527 1.00 0.00 C ATOM 186 O GLY A 26 7.958 -12.004 4.468 1.00 0.00 O ATOM 0 H GLY A 26 9.966 -9.974 1.321 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.586 -11.743 1.501 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.661 -12.454 2.689 1.00 0.00 H new ATOM 190 N SER A 27 7.442 -10.083 3.406 1.00 0.00 N ATOM 191 CA SER A 27 6.447 -9.665 4.394 1.00 0.00 C ATOM 192 C SER A 27 5.031 -9.806 3.835 1.00 0.00 C ATOM 193 O SER A 27 4.575 -8.960 3.065 1.00 0.00 O ATOM 194 CB SER A 27 6.697 -8.213 4.824 1.00 0.00 C ATOM 195 OG SER A 27 6.234 -7.983 6.143 1.00 0.00 O ATOM 0 H SER A 27 7.565 -9.430 2.632 1.00 0.00 H new ATOM 0 HA SER A 27 6.542 -10.315 5.264 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.763 -7.992 4.766 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.193 -7.535 4.135 1.00 0.00 H new ATOM 0 HG SER A 27 6.546 -7.107 6.451 1.00 0.00 H new ATOM 201 N VAL A 28 4.339 -10.878 4.227 1.00 0.00 N ATOM 202 CA VAL A 28 2.971 -11.123 3.761 1.00 0.00 C ATOM 203 C VAL A 28 1.940 -10.647 4.786 1.00 0.00 C ATOM 204 O VAL A 28 1.791 -11.245 5.855 1.00 0.00 O ATOM 205 CB VAL A 28 2.726 -12.617 3.442 1.00 0.00 C ATOM 206 CG1 VAL A 28 3.387 -12.996 2.124 1.00 0.00 C ATOM 207 CG2 VAL A 28 3.222 -13.515 4.571 1.00 0.00 C ATOM 0 H VAL A 28 4.701 -11.588 4.863 1.00 0.00 H new ATOM 0 HA VAL A 28 2.852 -10.550 2.841 1.00 0.00 H new ATOM 0 HB VAL A 28 1.651 -12.767 3.348 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.205 -14.050 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.970 -12.389 1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.461 -12.820 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.035 -14.558 4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.292 -13.363 4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.694 -13.267 5.492 1.00 0.00 H new ATOM 217 N VAL A 29 1.234 -9.563 4.455 1.00 0.00 N ATOM 218 CA VAL A 29 0.219 -8.997 5.347 1.00 0.00 C ATOM 219 C VAL A 29 -1.019 -8.536 4.569 1.00 0.00 C ATOM 220 O VAL A 29 -0.925 -8.168 3.396 1.00 0.00 O ATOM 221 CB VAL A 29 0.779 -7.798 6.148 1.00 0.00 C ATOM 222 CG1 VAL A 29 -0.196 -7.368 7.236 1.00 0.00 C ATOM 223 CG2 VAL A 29 2.137 -8.132 6.750 1.00 0.00 C ATOM 0 H VAL A 29 1.347 -9.059 3.575 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.066 -9.791 6.037 1.00 0.00 H new ATOM 0 HB VAL A 29 0.908 -6.966 5.456 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.221 -6.524 7.785 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.142 -7.074 6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.366 -8.198 7.922 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.509 -7.273 7.308 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.038 -8.985 7.421 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.838 -8.378 5.952 1.00 0.00 H new ATOM 233 N GLN A 30 -2.179 -8.554 5.236 1.00 0.00 N ATOM 234 CA GLN A 30 -3.441 -8.135 4.620 1.00 0.00 C ATOM 235 C GLN A 30 -3.970 -6.846 5.256 1.00 0.00 C ATOM 236 O GLN A 30 -3.776 -6.609 6.451 1.00 0.00 O ATOM 237 CB GLN A 30 -4.490 -9.243 4.762 1.00 0.00 C ATOM 238 CG GLN A 30 -5.441 -9.345 3.578 1.00 0.00 C ATOM 239 CD GLN A 30 -6.561 -10.344 3.811 1.00 0.00 C ATOM 240 OE1 GLN A 30 -7.738 -10.021 3.654 1.00 0.00 O ATOM 241 NE2 GLN A 30 -6.200 -11.568 4.188 1.00 0.00 N ATOM 0 H GLN A 30 -2.268 -8.856 6.206 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.249 -7.945 3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.981 -10.198 4.890 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.070 -9.067 5.668 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.871 -8.364 3.377 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.879 -9.635 2.690 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.213 -11.795 4.307 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.911 -12.280 4.358 1.00 0.00 H new ATOM 250 N PHE A 31 -4.647 -6.022 4.450 1.00 0.00 N ATOM 251 CA PHE A 31 -5.216 -4.762 4.929 1.00 0.00 C ATOM 252 C PHE A 31 -6.569 -4.483 4.271 1.00 0.00 C ATOM 253 O PHE A 31 -6.741 -4.693 3.068 1.00 0.00 O ATOM 254 CB PHE A 31 -4.253 -3.600 4.659 1.00 0.00 C ATOM 255 CG PHE A 31 -3.330 -3.306 5.811 1.00 0.00 C ATOM 256 CD1 PHE A 31 -3.726 -2.462 6.838 1.00 0.00 C ATOM 257 CD2 PHE A 31 -2.068 -3.876 5.868 1.00 0.00 C ATOM 258 CE1 PHE A 31 -2.880 -2.191 7.898 1.00 0.00 C ATOM 259 CE2 PHE A 31 -1.218 -3.608 6.925 1.00 0.00 C ATOM 260 CZ PHE A 31 -1.625 -2.766 7.941 1.00 0.00 C ATOM 0 H PHE A 31 -4.814 -6.207 3.461 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.369 -4.853 6.004 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.657 -3.830 3.776 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.831 -2.705 4.429 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.707 -2.011 6.810 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.745 -4.537 5.078 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.200 -1.531 8.691 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.236 -4.057 6.956 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.963 -2.557 8.768 1.00 0.00 H new ATOM 270 N LYS A 32 -7.526 -4.010 5.073 1.00 0.00 N ATOM 271 CA LYS A 32 -8.870 -3.700 4.581 1.00 0.00 C ATOM 272 C LYS A 32 -9.113 -2.191 4.575 1.00 0.00 C ATOM 273 O LYS A 32 -9.120 -1.554 5.630 1.00 0.00 O ATOM 274 CB LYS A 32 -9.929 -4.390 5.449 1.00 0.00 C ATOM 275 CG LYS A 32 -9.622 -5.850 5.749 1.00 0.00 C ATOM 276 CD LYS A 32 -10.807 -6.552 6.397 1.00 0.00 C ATOM 277 CE LYS A 32 -11.582 -7.390 5.389 1.00 0.00 C ATOM 278 NZ LYS A 32 -12.035 -8.686 5.970 1.00 0.00 N ATOM 0 H LYS A 32 -7.394 -3.833 6.069 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.948 -4.071 3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.024 -3.848 6.390 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.894 -4.327 4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.356 -6.363 4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.757 -5.912 6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.454 -7.190 7.207 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.471 -5.811 6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.448 -6.827 5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.954 -7.583 4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.558 -9.225 5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.208 -9.235 6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.655 -8.503 6.785 1.00 0.00 H new ATOM 292 N ILE A 33 -9.314 -1.627 3.383 1.00 0.00 N ATOM 293 CA ILE A 33 -9.560 -0.191 3.241 1.00 0.00 C ATOM 294 C ILE A 33 -10.734 0.086 2.300 1.00 0.00 C ATOM 295 O ILE A 33 -11.324 -0.841 1.740 1.00 0.00 O ATOM 296 CB ILE A 33 -8.307 0.554 2.721 1.00 0.00 C ATOM 297 CG1 ILE A 33 -7.865 -0.008 1.364 1.00 0.00 C ATOM 298 CG2 ILE A 33 -7.176 0.460 3.735 1.00 0.00 C ATOM 299 CD1 ILE A 33 -7.329 1.045 0.416 1.00 0.00 C ATOM 0 H ILE A 33 -9.311 -2.142 2.503 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.805 0.180 4.236 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.563 1.605 2.585 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.096 -0.764 1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.711 -0.510 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.302 0.989 3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.492 0.911 4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.923 -0.587 3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.036 0.574 -0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.102 1.789 0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.462 1.531 0.864 1.00 0.00 H new ATOM 311 N LYS A 34 -11.062 1.368 2.127 1.00 0.00 N ATOM 312 CA LYS A 34 -12.160 1.772 1.247 1.00 0.00 C ATOM 313 C LYS A 34 -11.638 2.126 -0.146 1.00 0.00 C ATOM 314 O LYS A 34 -10.468 2.479 -0.308 1.00 0.00 O ATOM 315 CB LYS A 34 -12.922 2.966 1.838 1.00 0.00 C ATOM 316 CG LYS A 34 -12.030 4.114 2.292 1.00 0.00 C ATOM 317 CD LYS A 34 -12.851 5.331 2.690 1.00 0.00 C ATOM 318 CE LYS A 34 -12.216 6.087 3.850 1.00 0.00 C ATOM 319 NZ LYS A 34 -13.230 6.529 4.850 1.00 0.00 N ATOM 0 H LYS A 34 -10.583 2.144 2.584 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.844 0.928 1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.624 3.339 1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.512 2.622 2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.421 3.792 3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.344 4.383 1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.952 5.998 1.833 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.857 5.016 2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.479 5.449 4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.681 6.956 3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.756 7.039 5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.919 7.158 4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.723 5.698 5.235 1.00 0.00 H new ATOM 333 N ARG A 35 -12.515 2.037 -1.149 1.00 0.00 N ATOM 334 CA ARG A 35 -12.141 2.353 -2.531 1.00 0.00 C ATOM 335 C ARG A 35 -12.433 3.821 -2.868 1.00 0.00 C ATOM 336 O ARG A 35 -12.882 4.136 -3.972 1.00 0.00 O ATOM 337 CB ARG A 35 -12.875 1.426 -3.512 1.00 0.00 C ATOM 338 CG ARG A 35 -14.392 1.512 -3.428 1.00 0.00 C ATOM 339 CD ARG A 35 -15.015 1.755 -4.794 1.00 0.00 C ATOM 340 NE ARG A 35 -14.878 0.594 -5.675 1.00 0.00 N ATOM 341 CZ ARG A 35 -15.608 -0.521 -5.565 1.00 0.00 C ATOM 342 NH1 ARG A 35 -16.531 -0.633 -4.610 1.00 0.00 N ATOM 343 NH2 ARG A 35 -15.414 -1.526 -6.412 1.00 0.00 N ATOM 0 H ARG A 35 -13.487 1.750 -1.031 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.067 2.193 -2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.563 1.669 -4.528 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.569 0.397 -3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.787 0.587 -3.007 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -14.674 2.317 -2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.071 1.995 -4.673 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.543 2.620 -5.259 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.182 0.638 -6.419 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.685 0.135 -3.957 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.084 -1.487 -4.533 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.709 -1.446 -7.145 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.970 -2.377 -6.329 1.00 0.00 H new ATOM 357 N HIS A 36 -12.168 4.717 -1.913 1.00 0.00 N ATOM 358 CA HIS A 36 -12.397 6.148 -2.112 1.00 0.00 C ATOM 359 C HIS A 36 -11.364 6.985 -1.347 1.00 0.00 C ATOM 360 O HIS A 36 -11.669 8.081 -0.870 1.00 0.00 O ATOM 361 CB HIS A 36 -13.815 6.524 -1.665 1.00 0.00 C ATOM 362 CG HIS A 36 -14.829 6.482 -2.768 1.00 0.00 C ATOM 363 ND1 HIS A 36 -15.428 5.317 -3.198 1.00 0.00 N ATOM 364 CD2 HIS A 36 -15.355 7.474 -3.527 1.00 0.00 C ATOM 365 CE1 HIS A 36 -16.277 5.593 -4.172 1.00 0.00 C ATOM 366 NE2 HIS A 36 -16.251 6.895 -4.391 1.00 0.00 N ATOM 0 H HIS A 36 -11.795 4.475 -0.995 1.00 0.00 H new ATOM 0 HA HIS A 36 -12.288 6.363 -3.175 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.127 5.846 -0.871 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -13.797 7.527 -1.239 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -15.114 8.525 -3.464 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -16.888 4.876 -4.699 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -16.806 7.390 -5.089 1.00 0.00 H new ATOM 375 N THR A 37 -10.141 6.465 -1.237 1.00 0.00 N ATOM 376 CA THR A 37 -9.065 7.163 -0.538 1.00 0.00 C ATOM 377 C THR A 37 -7.732 6.961 -1.254 1.00 0.00 C ATOM 378 O THR A 37 -7.547 5.972 -1.965 1.00 0.00 O ATOM 379 CB THR A 37 -8.951 6.672 0.911 1.00 0.00 C ATOM 380 OG1 THR A 37 -9.344 5.314 1.023 1.00 0.00 O ATOM 381 CG2 THR A 37 -9.789 7.478 1.879 1.00 0.00 C ATOM 0 H THR A 37 -9.872 5.561 -1.624 1.00 0.00 H new ATOM 0 HA THR A 37 -9.306 8.226 -0.534 1.00 0.00 H new ATOM 0 HB THR A 37 -7.900 6.794 1.173 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.368 5.057 1.968 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.665 7.081 2.886 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.469 8.520 1.858 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.838 7.415 1.591 1.00 0.00 H new ATOM 389 N PRO A 38 -6.779 7.897 -1.068 1.00 0.00 N ATOM 390 CA PRO A 38 -5.455 7.811 -1.696 1.00 0.00 C ATOM 391 C PRO A 38 -4.614 6.676 -1.118 1.00 0.00 C ATOM 392 O PRO A 38 -4.941 6.127 -0.063 1.00 0.00 O ATOM 393 CB PRO A 38 -4.818 9.167 -1.371 1.00 0.00 C ATOM 394 CG PRO A 38 -5.504 9.620 -0.130 1.00 0.00 C ATOM 395 CD PRO A 38 -6.913 9.105 -0.228 1.00 0.00 C ATOM 0 HA PRO A 38 -5.523 7.602 -2.764 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.743 9.073 -1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.962 9.877 -2.185 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.006 9.229 0.757 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.490 10.707 -0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.323 8.868 0.754 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.578 9.839 -0.683 1.00 0.00 H new ATOM 403 N LEU A 39 -3.525 6.332 -1.807 1.00 0.00 N ATOM 404 CA LEU A 39 -2.636 5.264 -1.346 1.00 0.00 C ATOM 405 C LEU A 39 -2.090 5.566 0.053 1.00 0.00 C ATOM 406 O LEU A 39 -1.723 4.650 0.789 1.00 0.00 O ATOM 407 CB LEU A 39 -1.480 5.055 -2.328 1.00 0.00 C ATOM 408 CG LEU A 39 -1.728 3.987 -3.397 1.00 0.00 C ATOM 409 CD1 LEU A 39 -0.615 4.002 -4.434 1.00 0.00 C ATOM 410 CD2 LEU A 39 -1.848 2.609 -2.758 1.00 0.00 C ATOM 0 H LEU A 39 -3.238 6.774 -2.681 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.222 4.346 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.268 6.002 -2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.588 4.783 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.668 4.214 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.808 3.237 -5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.578 4.980 -4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.339 3.800 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.024 1.863 -3.533 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.925 2.372 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.681 2.605 -2.055 1.00 0.00 H new ATOM 422 N SER A 40 -2.050 6.854 0.416 1.00 0.00 N ATOM 423 CA SER A 40 -1.562 7.273 1.729 1.00 0.00 C ATOM 424 C SER A 40 -2.290 6.534 2.857 1.00 0.00 C ATOM 425 O SER A 40 -1.703 6.263 3.901 1.00 0.00 O ATOM 426 CB SER A 40 -1.732 8.785 1.904 1.00 0.00 C ATOM 427 OG SER A 40 -3.071 9.119 2.230 1.00 0.00 O ATOM 0 H SER A 40 -2.351 7.622 -0.184 1.00 0.00 H new ATOM 0 HA SER A 40 -0.503 7.021 1.784 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.065 9.139 2.690 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.441 9.294 0.985 1.00 0.00 H new ATOM 0 HG SER A 40 -3.149 10.090 2.337 1.00 0.00 H new ATOM 433 N LYS A 41 -3.568 6.214 2.641 1.00 0.00 N ATOM 434 CA LYS A 41 -4.360 5.508 3.648 1.00 0.00 C ATOM 435 C LYS A 41 -3.770 4.127 3.928 1.00 0.00 C ATOM 436 O LYS A 41 -3.392 3.828 5.061 1.00 0.00 O ATOM 437 CB LYS A 41 -5.821 5.383 3.199 1.00 0.00 C ATOM 438 CG LYS A 41 -6.816 5.907 4.222 1.00 0.00 C ATOM 439 CD LYS A 41 -6.854 7.429 4.237 1.00 0.00 C ATOM 440 CE LYS A 41 -6.436 7.989 5.590 1.00 0.00 C ATOM 441 NZ LYS A 41 -5.041 8.518 5.579 1.00 0.00 N ATOM 0 H LYS A 41 -4.073 6.432 1.782 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.331 6.089 4.570 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.953 5.927 2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.041 4.336 2.993 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.809 5.520 3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.548 5.539 5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.193 7.817 3.462 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.861 7.770 3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.122 8.786 5.878 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.520 7.208 6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.976 9.339 6.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.386 7.778 5.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.787 8.806 4.613 1.00 0.00 H new ATOM 455 N LEU A 42 -3.678 3.298 2.888 1.00 0.00 N ATOM 456 CA LEU A 42 -3.114 1.955 3.026 1.00 0.00 C ATOM 457 C LEU A 42 -1.656 2.027 3.478 1.00 0.00 C ATOM 458 O LEU A 42 -1.212 1.225 4.300 1.00 0.00 O ATOM 459 CB LEU A 42 -3.211 1.192 1.700 1.00 0.00 C ATOM 460 CG LEU A 42 -3.183 -0.335 1.826 1.00 0.00 C ATOM 461 CD1 LEU A 42 -3.952 -0.984 0.683 1.00 0.00 C ATOM 462 CD2 LEU A 42 -1.747 -0.844 1.865 1.00 0.00 C ATOM 0 H LEU A 42 -3.986 3.532 1.944 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.690 1.422 3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.134 1.483 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.387 1.503 1.058 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.669 -0.609 2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.919 -2.068 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.989 -0.648 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.499 -0.701 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.748 -1.930 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.234 -0.556 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.230 -0.410 2.721 1.00 0.00 H new ATOM 474 N MET A 43 -0.917 2.997 2.932 1.00 0.00 N ATOM 475 CA MET A 43 0.492 3.178 3.276 1.00 0.00 C ATOM 476 C MET A 43 0.658 3.613 4.732 1.00 0.00 C ATOM 477 O MET A 43 1.534 3.111 5.433 1.00 0.00 O ATOM 478 CB MET A 43 1.147 4.204 2.347 1.00 0.00 C ATOM 479 CG MET A 43 2.495 3.756 1.805 1.00 0.00 C ATOM 480 SD MET A 43 3.779 5.006 2.008 1.00 0.00 S ATOM 481 CE MET A 43 4.053 4.932 3.776 1.00 0.00 C ATOM 0 H MET A 43 -1.273 3.667 2.251 1.00 0.00 H new ATOM 0 HA MET A 43 0.987 2.216 3.148 1.00 0.00 H new ATOM 0 HB2 MET A 43 0.477 4.406 1.511 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.275 5.142 2.887 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.801 2.842 2.314 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.394 3.514 0.747 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.687 5.764 4.081 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.097 4.995 4.295 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.542 3.991 4.029 1.00 0.00 H new ATOM 491 N LYS A 44 -0.184 4.545 5.181 1.00 0.00 N ATOM 492 CA LYS A 44 -0.117 5.033 6.560 1.00 0.00 C ATOM 493 C LYS A 44 -0.421 3.907 7.549 1.00 0.00 C ATOM 494 O LYS A 44 0.205 3.819 8.603 1.00 0.00 O ATOM 495 CB LYS A 44 -1.091 6.197 6.781 1.00 0.00 C ATOM 496 CG LYS A 44 -0.506 7.566 6.452 1.00 0.00 C ATOM 497 CD LYS A 44 0.540 7.994 7.473 1.00 0.00 C ATOM 498 CE LYS A 44 -0.072 8.821 8.598 1.00 0.00 C ATOM 499 NZ LYS A 44 0.967 9.495 9.430 1.00 0.00 N ATOM 0 H LYS A 44 -0.916 4.975 4.615 1.00 0.00 H new ATOM 0 HA LYS A 44 0.898 5.391 6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.978 6.036 6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.416 6.193 7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.056 7.540 5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.306 8.305 6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.022 7.111 7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.317 8.575 6.976 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.739 9.572 8.174 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.680 8.176 9.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.506 10.046 10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.588 8.779 9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.532 10.131 8.832 1.00 0.00 H new ATOM 513 N ALA A 45 -1.380 3.047 7.201 1.00 0.00 N ATOM 514 CA ALA A 45 -1.756 1.929 8.063 1.00 0.00 C ATOM 515 C ALA A 45 -0.714 0.808 8.018 1.00 0.00 C ATOM 516 O ALA A 45 -0.479 0.136 9.020 1.00 0.00 O ATOM 517 CB ALA A 45 -3.126 1.393 7.674 1.00 0.00 C ATOM 0 H ALA A 45 -1.908 3.104 6.330 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.800 2.302 9.086 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.390 0.561 8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.869 2.184 7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.102 1.050 6.640 1.00 0.00 H new ATOM 523 N TYR A 46 -0.094 0.609 6.854 1.00 0.00 N ATOM 524 CA TYR A 46 0.918 -0.436 6.692 1.00 0.00 C ATOM 525 C TYR A 46 2.283 0.013 7.224 1.00 0.00 C ATOM 526 O TYR A 46 3.025 -0.789 7.790 1.00 0.00 O ATOM 527 CB TYR A 46 1.038 -0.834 5.217 1.00 0.00 C ATOM 528 CG TYR A 46 1.957 -2.013 4.970 1.00 0.00 C ATOM 529 CD1 TYR A 46 3.320 -1.828 4.773 1.00 0.00 C ATOM 530 CD2 TYR A 46 1.459 -3.309 4.931 1.00 0.00 C ATOM 531 CE1 TYR A 46 4.161 -2.901 4.546 1.00 0.00 C ATOM 532 CE2 TYR A 46 2.293 -4.388 4.706 1.00 0.00 C ATOM 533 CZ TYR A 46 3.642 -4.180 4.512 1.00 0.00 C ATOM 534 OH TYR A 46 4.474 -5.254 4.289 1.00 0.00 O ATOM 0 H TYR A 46 -0.274 1.156 6.012 1.00 0.00 H new ATOM 0 HA TYR A 46 0.597 -1.299 7.275 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.046 -1.073 4.834 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.401 0.022 4.649 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.729 -0.829 4.798 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.402 -3.476 5.079 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.218 -2.740 4.396 1.00 0.00 H new ATOM 0 HE2 TYR A 46 1.890 -5.390 4.682 1.00 0.00 H new ATOM 0 HH TYR A 46 3.949 -6.082 4.297 1.00 0.00 H new ATOM 544 N SER A 47 2.615 1.290 7.029 1.00 0.00 N ATOM 545 CA SER A 47 3.900 1.827 7.483 1.00 0.00 C ATOM 546 C SER A 47 3.887 2.136 8.980 1.00 0.00 C ATOM 547 O SER A 47 4.867 1.874 9.680 1.00 0.00 O ATOM 548 CB SER A 47 4.264 3.089 6.693 1.00 0.00 C ATOM 549 OG SER A 47 5.670 3.280 6.656 1.00 0.00 O ATOM 0 H SER A 47 2.015 1.970 6.562 1.00 0.00 H new ATOM 0 HA SER A 47 4.654 1.061 7.304 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.878 3.010 5.677 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.788 3.957 7.149 1.00 0.00 H new ATOM 0 HG SER A 47 5.868 4.229 6.515 1.00 0.00 H new ATOM 555 N GLU A 48 2.782 2.701 9.466 1.00 0.00 N ATOM 556 CA GLU A 48 2.661 3.051 10.881 1.00 0.00 C ATOM 557 C GLU A 48 2.491 1.807 11.754 1.00 0.00 C ATOM 558 O GLU A 48 3.132 1.683 12.798 1.00 0.00 O ATOM 559 CB GLU A 48 1.487 4.008 11.094 1.00 0.00 C ATOM 560 CG GLU A 48 1.545 4.769 12.407 1.00 0.00 C ATOM 561 CD GLU A 48 0.597 5.953 12.432 1.00 0.00 C ATOM 562 OE1 GLU A 48 -0.621 5.733 12.601 1.00 0.00 O ATOM 563 OE2 GLU A 48 1.072 7.097 12.277 1.00 0.00 O ATOM 0 H GLU A 48 1.961 2.925 8.904 1.00 0.00 H new ATOM 0 HA GLU A 48 3.585 3.547 11.180 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.460 4.723 10.272 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.557 3.441 11.054 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.300 4.093 13.226 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.563 5.119 12.576 1.00 0.00 H new ATOM 570 N ARG A 49 1.624 0.888 11.323 1.00 0.00 N ATOM 571 CA ARG A 49 1.373 -0.346 12.070 1.00 0.00 C ATOM 572 C ARG A 49 2.641 -1.198 12.179 1.00 0.00 C ATOM 573 O ARG A 49 2.869 -1.849 13.198 1.00 0.00 O ATOM 574 CB ARG A 49 0.252 -1.151 11.405 1.00 0.00 C ATOM 575 CG ARG A 49 -0.222 -2.347 12.219 1.00 0.00 C ATOM 576 CD ARG A 49 -1.590 -2.829 11.756 1.00 0.00 C ATOM 577 NE ARG A 49 -2.681 -2.053 12.350 1.00 0.00 N ATOM 578 CZ ARG A 49 -3.955 -2.457 12.386 1.00 0.00 C ATOM 579 NH1 ARG A 49 -4.310 -3.623 11.853 1.00 0.00 N ATOM 580 NH2 ARG A 49 -4.879 -1.689 12.954 1.00 0.00 N ATOM 0 H ARG A 49 1.085 0.975 10.462 1.00 0.00 H new ATOM 0 HA ARG A 49 1.064 -0.070 13.078 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.596 -0.491 11.222 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.598 -1.501 10.433 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.500 -3.158 12.130 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.268 -2.076 13.274 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.648 -2.762 10.670 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.710 -3.880 12.017 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.455 -1.148 12.762 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.608 -4.217 11.412 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.284 -3.923 11.885 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.616 -0.792 13.362 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.851 -1.997 12.982 1.00 0.00 H new ATOM 594 N GLN A 50 3.461 -1.189 11.126 1.00 0.00 N ATOM 595 CA GLN A 50 4.702 -1.962 11.112 1.00 0.00 C ATOM 596 C GLN A 50 5.775 -1.295 11.973 1.00 0.00 C ATOM 597 O GLN A 50 6.177 -1.838 13.003 1.00 0.00 O ATOM 598 CB GLN A 50 5.212 -2.131 9.676 1.00 0.00 C ATOM 599 CG GLN A 50 5.723 -3.530 9.369 1.00 0.00 C ATOM 600 CD GLN A 50 5.765 -3.818 7.878 1.00 0.00 C ATOM 601 OE1 GLN A 50 6.159 -2.968 7.080 1.00 0.00 O ATOM 602 NE2 GLN A 50 5.357 -5.023 7.494 1.00 0.00 N ATOM 0 H GLN A 50 3.287 -0.656 10.274 1.00 0.00 H new ATOM 0 HA GLN A 50 4.488 -2.945 11.531 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.407 -1.888 8.983 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.013 -1.414 9.498 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.723 -3.648 9.787 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.083 -4.263 9.860 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.038 -5.699 8.188 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.363 -5.272 6.505 1.00 0.00 H new ATOM 611 N GLY A 51 6.238 -0.119 11.541 1.00 0.00 N ATOM 612 CA GLY A 51 7.262 0.597 12.282 1.00 0.00 C ATOM 613 C GLY A 51 8.374 1.098 11.383 1.00 0.00 C ATOM 614 O GLY A 51 9.555 0.941 11.699 1.00 0.00 O ATOM 0 H GLY A 51 5.920 0.347 10.691 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.809 1.441 12.801 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.681 -0.059 13.045 1.00 0.00 H new ATOM 618 N LEU A 52 7.993 1.702 10.259 1.00 0.00 N ATOM 619 CA LEU A 52 8.958 2.231 9.305 1.00 0.00 C ATOM 620 C LEU A 52 8.890 3.759 9.271 1.00 0.00 C ATOM 621 O LEU A 52 8.487 4.389 10.251 1.00 0.00 O ATOM 622 CB LEU A 52 8.700 1.648 7.907 1.00 0.00 C ATOM 623 CG LEU A 52 8.371 0.152 7.864 1.00 0.00 C ATOM 624 CD1 LEU A 52 8.028 -0.275 6.444 1.00 0.00 C ATOM 625 CD2 LEU A 52 9.532 -0.672 8.404 1.00 0.00 C ATOM 0 H LEU A 52 7.019 1.836 9.989 1.00 0.00 H new ATOM 0 HA LEU A 52 9.959 1.938 9.622 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.876 2.196 7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.581 1.826 7.290 1.00 0.00 H new ATOM 0 HG LEU A 52 7.503 -0.026 8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.797 -1.340 6.430 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.163 0.289 6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.878 -0.080 5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.276 -1.731 8.364 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.420 -0.490 7.799 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.732 -0.386 9.437 1.00 0.00 H new ATOM 637 N SER A 53 9.285 4.347 8.145 1.00 0.00 N ATOM 638 CA SER A 53 9.270 5.799 7.989 1.00 0.00 C ATOM 639 C SER A 53 8.120 6.248 7.091 1.00 0.00 C ATOM 640 O SER A 53 7.504 5.437 6.397 1.00 0.00 O ATOM 641 CB SER A 53 10.602 6.290 7.414 1.00 0.00 C ATOM 642 OG SER A 53 10.993 7.514 8.013 1.00 0.00 O ATOM 0 H SER A 53 9.620 3.840 7.326 1.00 0.00 H new ATOM 0 HA SER A 53 9.124 6.236 8.977 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.373 5.537 7.579 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.511 6.421 6.336 1.00 0.00 H new ATOM 0 HG SER A 53 11.847 7.807 7.631 1.00 0.00 H new ATOM 648 N MET A 54 7.837 7.548 7.110 1.00 0.00 N ATOM 649 CA MET A 54 6.763 8.111 6.296 1.00 0.00 C ATOM 650 C MET A 54 7.314 8.775 5.037 1.00 0.00 C ATOM 651 O MET A 54 6.698 8.708 3.974 1.00 0.00 O ATOM 652 CB MET A 54 5.953 9.126 7.104 1.00 0.00 C ATOM 653 CG MET A 54 4.454 9.030 6.869 1.00 0.00 C ATOM 654 SD MET A 54 3.846 10.290 5.732 1.00 0.00 S ATOM 655 CE MET A 54 2.902 9.288 4.585 1.00 0.00 C ATOM 0 H MET A 54 8.336 8.231 7.680 1.00 0.00 H new ATOM 0 HA MET A 54 6.111 7.291 5.996 1.00 0.00 H new ATOM 0 HB2 MET A 54 6.157 8.980 8.165 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.289 10.132 6.851 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.215 8.043 6.473 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.934 9.125 7.822 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.037 9.852 4.237 1.00 0.00 H new ATOM 0 HE2 MET A 54 3.528 9.022 3.734 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.566 8.380 5.086 1.00 0.00 H new ATOM 665 N ARG A 55 8.476 9.419 5.164 1.00 0.00 N ATOM 666 CA ARG A 55 9.106 10.100 4.034 1.00 0.00 C ATOM 667 C ARG A 55 10.139 9.206 3.338 1.00 0.00 C ATOM 668 O ARG A 55 11.094 9.703 2.737 1.00 0.00 O ATOM 669 CB ARG A 55 9.764 11.404 4.501 1.00 0.00 C ATOM 670 CG ARG A 55 10.883 11.207 5.515 1.00 0.00 C ATOM 671 CD ARG A 55 10.775 12.197 6.664 1.00 0.00 C ATOM 672 NE ARG A 55 11.137 11.590 7.946 1.00 0.00 N ATOM 673 CZ ARG A 55 10.811 12.103 9.135 1.00 0.00 C ATOM 674 NH1 ARG A 55 10.117 13.234 9.219 1.00 0.00 N ATOM 675 NH2 ARG A 55 11.183 11.478 10.248 1.00 0.00 N ATOM 0 H ARG A 55 8.998 9.483 6.038 1.00 0.00 H new ATOM 0 HA ARG A 55 8.325 10.331 3.309 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.163 11.928 3.633 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.001 12.047 4.939 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.847 10.190 5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.848 11.325 5.021 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.425 13.050 6.470 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.756 12.579 6.719 1.00 0.00 H new ATOM 0 HE ARG A 55 11.671 10.721 7.930 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.828 13.719 8.370 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.874 13.616 10.133 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.715 10.610 10.192 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.936 11.867 11.158 1.00 0.00 H new ATOM 689 N GLN A 56 9.933 7.888 3.401 1.00 0.00 N ATOM 690 CA GLN A 56 10.833 6.945 2.757 1.00 0.00 C ATOM 691 C GLN A 56 10.142 5.598 2.570 1.00 0.00 C ATOM 692 O GLN A 56 10.389 4.647 3.314 1.00 0.00 O ATOM 693 CB GLN A 56 12.111 6.781 3.589 1.00 0.00 C ATOM 694 CG GLN A 56 13.241 6.098 2.837 1.00 0.00 C ATOM 695 CD GLN A 56 13.824 4.926 3.603 1.00 0.00 C ATOM 696 OE1 GLN A 56 14.801 5.074 4.337 1.00 0.00 O ATOM 697 NE2 GLN A 56 13.226 3.752 3.434 1.00 0.00 N ATOM 0 H GLN A 56 9.150 7.456 3.892 1.00 0.00 H new ATOM 0 HA GLN A 56 11.105 7.333 1.775 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.448 7.763 3.921 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.880 6.204 4.485 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.873 5.750 1.872 1.00 0.00 H new ATOM 0 HG3 GLN A 56 14.029 6.823 2.635 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.418 3.675 2.816 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.574 2.927 3.923 1.00 0.00 H new ATOM 706 N ILE A 57 9.280 5.534 1.560 1.00 0.00 N ATOM 707 CA ILE A 57 8.533 4.316 1.235 1.00 0.00 C ATOM 708 C ILE A 57 8.194 4.277 -0.256 1.00 0.00 C ATOM 709 O ILE A 57 8.167 5.315 -0.921 1.00 0.00 O ATOM 710 CB ILE A 57 7.212 4.214 2.041 1.00 0.00 C ATOM 711 CG1 ILE A 57 7.455 4.438 3.539 1.00 0.00 C ATOM 712 CG2 ILE A 57 6.540 2.866 1.814 1.00 0.00 C ATOM 713 CD1 ILE A 57 8.101 3.260 4.241 1.00 0.00 C ATOM 0 H ILE A 57 9.077 6.321 0.943 1.00 0.00 H new ATOM 0 HA ILE A 57 9.174 3.475 1.500 1.00 0.00 H new ATOM 0 HB ILE A 57 6.548 5.000 1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.088 5.316 3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.503 4.659 4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.616 2.819 2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.314 2.746 0.754 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.209 2.067 2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.240 3.496 5.296 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.460 2.384 4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.069 3.051 3.786 1.00 0.00 H new ATOM 725 N ARG A 58 7.923 3.079 -0.773 1.00 0.00 N ATOM 726 CA ARG A 58 7.570 2.912 -2.183 1.00 0.00 C ATOM 727 C ARG A 58 6.773 1.627 -2.405 1.00 0.00 C ATOM 728 O ARG A 58 7.170 0.549 -1.957 1.00 0.00 O ATOM 729 CB ARG A 58 8.826 2.915 -3.065 1.00 0.00 C ATOM 730 CG ARG A 58 9.809 1.798 -2.750 1.00 0.00 C ATOM 731 CD ARG A 58 10.142 0.976 -3.987 1.00 0.00 C ATOM 732 NE ARG A 58 10.671 1.802 -5.074 1.00 0.00 N ATOM 733 CZ ARG A 58 11.927 2.257 -5.128 1.00 0.00 C ATOM 734 NH1 ARG A 58 12.797 1.962 -4.164 1.00 0.00 N ATOM 735 NH2 ARG A 58 12.315 3.007 -6.155 1.00 0.00 N ATOM 0 H ARG A 58 7.941 2.211 -0.238 1.00 0.00 H new ATOM 0 HA ARG A 58 6.943 3.757 -2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.524 2.835 -4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.333 3.873 -2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.724 2.224 -2.339 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.388 1.148 -1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.873 0.210 -3.726 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.246 0.458 -4.329 1.00 0.00 H new ATOM 0 HE ARG A 58 10.041 2.046 -5.839 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.507 1.384 -3.375 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.753 2.314 -4.215 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.655 3.234 -6.899 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.273 3.356 -6.199 1.00 0.00 H new ATOM 749 N PHE A 59 5.644 1.753 -3.100 1.00 0.00 N ATOM 750 CA PHE A 59 4.783 0.610 -3.389 1.00 0.00 C ATOM 751 C PHE A 59 4.901 0.204 -4.857 1.00 0.00 C ATOM 752 O PHE A 59 4.929 1.058 -5.745 1.00 0.00 O ATOM 753 CB PHE A 59 3.326 0.947 -3.054 1.00 0.00 C ATOM 754 CG PHE A 59 2.893 0.495 -1.683 1.00 0.00 C ATOM 755 CD1 PHE A 59 3.666 0.770 -0.563 1.00 0.00 C ATOM 756 CD2 PHE A 59 1.707 -0.203 -1.516 1.00 0.00 C ATOM 757 CE1 PHE A 59 3.263 0.357 0.692 1.00 0.00 C ATOM 758 CE2 PHE A 59 1.300 -0.618 -0.262 1.00 0.00 C ATOM 759 CZ PHE A 59 2.079 -0.337 0.843 1.00 0.00 C ATOM 0 H PHE A 59 5.304 2.639 -3.474 1.00 0.00 H new ATOM 0 HA PHE A 59 5.105 -0.228 -2.770 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.186 2.025 -3.131 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.677 0.487 -3.799 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.593 1.313 -0.674 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.093 -0.425 -2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.874 0.577 1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.374 -1.161 -0.147 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.763 -0.660 1.824 1.00 0.00 H new ATOM 769 N ARG A 60 4.980 -1.103 -5.103 1.00 0.00 N ATOM 770 CA ARG A 60 5.104 -1.624 -6.463 1.00 0.00 C ATOM 771 C ARG A 60 3.860 -2.411 -6.870 1.00 0.00 C ATOM 772 O ARG A 60 3.500 -3.397 -6.226 1.00 0.00 O ATOM 773 CB ARG A 60 6.344 -2.516 -6.575 1.00 0.00 C ATOM 774 CG ARG A 60 7.332 -2.061 -7.637 1.00 0.00 C ATOM 775 CD ARG A 60 8.652 -2.808 -7.525 1.00 0.00 C ATOM 776 NE ARG A 60 9.762 -2.058 -8.114 1.00 0.00 N ATOM 777 CZ ARG A 60 11.001 -2.539 -8.249 1.00 0.00 C ATOM 778 NH1 ARG A 60 11.295 -3.768 -7.833 1.00 0.00 N ATOM 779 NH2 ARG A 60 11.948 -1.790 -8.802 1.00 0.00 N ATOM 0 H ARG A 60 4.960 -1.820 -4.378 1.00 0.00 H new ATOM 0 HA ARG A 60 5.207 -0.775 -7.139 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.849 -2.543 -5.610 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.028 -3.535 -6.798 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.904 -2.222 -8.627 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.509 -0.990 -7.536 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.867 -3.008 -6.475 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.564 -3.774 -8.022 1.00 0.00 H new ATOM 0 HE ARG A 60 9.578 -1.110 -8.442 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.572 -4.349 -7.408 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.243 -4.129 -7.939 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.729 -0.847 -9.124 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.894 -2.158 -8.905 1.00 0.00 H new ATOM 793 N PHE A 61 3.215 -1.971 -7.948 1.00 0.00 N ATOM 794 CA PHE A 61 2.016 -2.635 -8.454 1.00 0.00 C ATOM 795 C PHE A 61 2.292 -3.259 -9.822 1.00 0.00 C ATOM 796 O PHE A 61 2.100 -2.619 -10.857 1.00 0.00 O ATOM 797 CB PHE A 61 0.852 -1.640 -8.548 1.00 0.00 C ATOM 798 CG PHE A 61 -0.444 -2.258 -9.001 1.00 0.00 C ATOM 799 CD1 PHE A 61 -0.891 -3.454 -8.456 1.00 0.00 C ATOM 800 CD2 PHE A 61 -1.215 -1.643 -9.975 1.00 0.00 C ATOM 801 CE1 PHE A 61 -2.079 -4.021 -8.875 1.00 0.00 C ATOM 802 CE2 PHE A 61 -2.404 -2.206 -10.397 1.00 0.00 C ATOM 803 CZ PHE A 61 -2.837 -3.397 -9.846 1.00 0.00 C ATOM 0 H PHE A 61 3.503 -1.156 -8.489 1.00 0.00 H new ATOM 0 HA PHE A 61 1.739 -3.427 -7.759 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.702 -1.179 -7.572 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.124 -0.842 -9.239 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.303 -3.947 -7.696 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.882 -0.712 -10.409 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.415 -4.952 -8.443 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.995 -1.716 -11.157 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.766 -3.839 -10.174 1.00 0.00 H new ATOM 813 N ASP A 62 2.756 -4.512 -9.814 1.00 0.00 N ATOM 814 CA ASP A 62 3.076 -5.234 -11.048 1.00 0.00 C ATOM 815 C ASP A 62 4.071 -4.443 -11.907 1.00 0.00 C ATOM 816 O ASP A 62 3.964 -4.409 -13.136 1.00 0.00 O ATOM 817 CB ASP A 62 1.796 -5.529 -11.842 1.00 0.00 C ATOM 818 CG ASP A 62 1.228 -6.902 -11.536 1.00 0.00 C ATOM 819 OD1 ASP A 62 0.955 -7.183 -10.349 1.00 0.00 O ATOM 820 OD2 ASP A 62 1.054 -7.698 -12.483 1.00 0.00 O ATOM 0 H ASP A 62 2.919 -5.049 -8.962 1.00 0.00 H new ATOM 0 HA ASP A 62 3.544 -6.180 -10.776 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.047 -4.770 -11.614 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.009 -5.456 -12.909 1.00 0.00 H new ATOM 825 N GLY A 63 5.040 -3.809 -11.244 1.00 0.00 N ATOM 826 CA GLY A 63 6.043 -3.025 -11.946 1.00 0.00 C ATOM 827 C GLY A 63 5.619 -1.581 -12.175 1.00 0.00 C ATOM 828 O GLY A 63 6.128 -0.921 -13.082 1.00 0.00 O ATOM 0 H GLY A 63 5.147 -3.826 -10.230 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.971 -3.039 -11.375 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.253 -3.493 -12.908 1.00 0.00 H new ATOM 832 N GLN A 64 4.692 -1.084 -11.352 1.00 0.00 N ATOM 833 CA GLN A 64 4.212 0.289 -11.474 1.00 0.00 C ATOM 834 C GLN A 64 4.491 1.072 -10.192 1.00 0.00 C ATOM 835 O GLN A 64 3.685 1.052 -9.259 1.00 0.00 O ATOM 836 CB GLN A 64 2.711 0.311 -11.780 1.00 0.00 C ATOM 837 CG GLN A 64 2.380 0.124 -13.253 1.00 0.00 C ATOM 838 CD GLN A 64 1.230 -0.841 -13.474 1.00 0.00 C ATOM 839 OE1 GLN A 64 0.063 -0.475 -13.341 1.00 0.00 O ATOM 840 NE2 GLN A 64 1.556 -2.084 -13.812 1.00 0.00 N ATOM 0 H GLN A 64 4.261 -1.614 -10.595 1.00 0.00 H new ATOM 0 HA GLN A 64 4.746 0.761 -12.299 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.221 -0.475 -11.205 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.295 1.260 -11.442 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.128 1.090 -13.691 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.263 -0.243 -13.776 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.537 -2.345 -13.911 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.825 -2.777 -13.972 1.00 0.00 H new ATOM 849 N PRO A 65 5.645 1.770 -10.127 1.00 0.00 N ATOM 850 CA PRO A 65 6.035 2.563 -8.952 1.00 0.00 C ATOM 851 C PRO A 65 4.959 3.568 -8.550 1.00 0.00 C ATOM 852 O PRO A 65 4.755 4.578 -9.227 1.00 0.00 O ATOM 853 CB PRO A 65 7.301 3.292 -9.414 1.00 0.00 C ATOM 854 CG PRO A 65 7.854 2.435 -10.496 1.00 0.00 C ATOM 855 CD PRO A 65 6.664 1.835 -11.192 1.00 0.00 C ATOM 0 HA PRO A 65 6.186 1.938 -8.072 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.071 4.293 -9.780 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.013 3.407 -8.597 1.00 0.00 H new ATOM 0 HG2 PRO A 65 8.458 3.021 -11.189 1.00 0.00 H new ATOM 0 HG3 PRO A 65 8.501 1.658 -10.088 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.334 2.452 -12.028 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.889 0.847 -11.594 1.00 0.00 H new ATOM 863 N ILE A 66 4.270 3.279 -7.448 1.00 0.00 N ATOM 864 CA ILE A 66 3.211 4.155 -6.958 1.00 0.00 C ATOM 865 C ILE A 66 3.608 4.828 -5.645 1.00 0.00 C ATOM 866 O ILE A 66 4.110 4.178 -4.726 1.00 0.00 O ATOM 867 CB ILE A 66 1.877 3.396 -6.764 1.00 0.00 C ATOM 868 CG1 ILE A 66 2.094 2.091 -5.987 1.00 0.00 C ATOM 869 CG2 ILE A 66 1.229 3.113 -8.113 1.00 0.00 C ATOM 870 CD1 ILE A 66 0.814 1.336 -5.693 1.00 0.00 C ATOM 0 H ILE A 66 4.426 2.447 -6.879 1.00 0.00 H new ATOM 0 HA ILE A 66 3.066 4.920 -7.721 1.00 0.00 H new ATOM 0 HB ILE A 66 1.208 4.028 -6.180 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.763 1.446 -6.557 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.596 2.318 -5.046 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.291 2.579 -7.961 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.031 4.054 -8.626 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.900 2.504 -8.718 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.047 0.425 -5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.151 1.962 -5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.321 1.077 -6.630 1.00 0.00 H new ATOM 882 N ASN A 67 3.376 6.139 -5.573 1.00 0.00 N ATOM 883 CA ASN A 67 3.701 6.926 -4.381 1.00 0.00 C ATOM 884 C ASN A 67 2.538 6.911 -3.385 1.00 0.00 C ATOM 885 O ASN A 67 1.478 6.350 -3.668 1.00 0.00 O ATOM 886 CB ASN A 67 4.024 8.372 -4.780 1.00 0.00 C ATOM 887 CG ASN A 67 5.222 8.935 -4.036 1.00 0.00 C ATOM 888 OD1 ASN A 67 6.233 8.254 -3.858 1.00 0.00 O ATOM 889 ND2 ASN A 67 5.117 10.186 -3.599 1.00 0.00 N ATOM 0 H ASN A 67 2.962 6.682 -6.331 1.00 0.00 H new ATOM 0 HA ASN A 67 4.572 6.479 -3.902 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.216 8.414 -5.852 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.154 9.000 -4.587 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.892 10.617 -3.095 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.261 10.715 -3.768 1.00 0.00 H new ATOM 896 N GLU A 68 2.732 7.545 -2.223 1.00 0.00 N ATOM 897 CA GLU A 68 1.684 7.607 -1.199 1.00 0.00 C ATOM 898 C GLU A 68 0.688 8.746 -1.469 1.00 0.00 C ATOM 899 O GLU A 68 0.021 9.221 -0.549 1.00 0.00 O ATOM 900 CB GLU A 68 2.294 7.763 0.204 1.00 0.00 C ATOM 901 CG GLU A 68 3.263 8.931 0.341 1.00 0.00 C ATOM 902 CD GLU A 68 4.714 8.491 0.316 1.00 0.00 C ATOM 903 OE1 GLU A 68 5.295 8.430 -0.786 1.00 0.00 O ATOM 904 OE2 GLU A 68 5.267 8.204 1.398 1.00 0.00 O ATOM 0 H GLU A 68 3.599 8.019 -1.970 1.00 0.00 H new ATOM 0 HA GLU A 68 1.138 6.664 -1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.487 7.889 0.926 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.815 6.842 0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.088 9.640 -0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.063 9.457 1.274 1.00 0.00 H new ATOM 911 N THR A 69 0.578 9.173 -2.731 1.00 0.00 N ATOM 912 CA THR A 69 -0.349 10.241 -3.105 1.00 0.00 C ATOM 913 C THR A 69 -1.270 9.803 -4.251 1.00 0.00 C ATOM 914 O THR A 69 -1.934 10.638 -4.871 1.00 0.00 O ATOM 915 CB THR A 69 0.421 11.505 -3.509 1.00 0.00 C ATOM 916 OG1 THR A 69 1.339 11.232 -4.556 1.00 0.00 O ATOM 917 CG2 THR A 69 1.196 12.127 -2.365 1.00 0.00 C ATOM 0 H THR A 69 1.119 8.795 -3.508 1.00 0.00 H new ATOM 0 HA THR A 69 -0.966 10.462 -2.234 1.00 0.00 H new ATOM 0 HB THR A 69 -0.343 12.210 -3.835 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.815 12.054 -4.796 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.717 13.016 -2.720 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.507 12.404 -1.567 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.922 11.409 -1.984 1.00 0.00 H new ATOM 925 N ASP A 70 -1.308 8.496 -4.531 1.00 0.00 N ATOM 926 CA ASP A 70 -2.150 7.971 -5.605 1.00 0.00 C ATOM 927 C ASP A 70 -3.628 7.988 -5.211 1.00 0.00 C ATOM 928 O ASP A 70 -3.972 8.331 -4.080 1.00 0.00 O ATOM 929 CB ASP A 70 -1.721 6.548 -5.971 1.00 0.00 C ATOM 930 CG ASP A 70 -1.859 6.261 -7.454 1.00 0.00 C ATOM 931 OD1 ASP A 70 -2.985 5.944 -7.897 1.00 0.00 O ATOM 932 OD2 ASP A 70 -0.844 6.359 -8.173 1.00 0.00 O ATOM 0 H ASP A 70 -0.769 7.789 -4.032 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.023 8.617 -6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.684 6.396 -5.670 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.324 5.835 -5.409 1.00 0.00 H new ATOM 937 N THR A 71 -4.493 7.610 -6.155 1.00 0.00 N ATOM 938 CA THR A 71 -5.939 7.573 -5.925 1.00 0.00 C ATOM 939 C THR A 71 -6.666 6.841 -7.059 1.00 0.00 C ATOM 940 O THR A 71 -7.407 5.891 -6.802 1.00 0.00 O ATOM 941 CB THR A 71 -6.523 8.988 -5.759 1.00 0.00 C ATOM 942 OG1 THR A 71 -5.565 9.990 -6.068 1.00 0.00 O ATOM 943 CG2 THR A 71 -7.037 9.256 -4.359 1.00 0.00 C ATOM 0 H THR A 71 -4.214 7.323 -7.093 1.00 0.00 H new ATOM 0 HA THR A 71 -6.096 7.024 -4.997 1.00 0.00 H new ATOM 0 HB THR A 71 -7.358 9.031 -6.458 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.969 10.875 -5.954 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.436 10.269 -4.306 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.825 8.543 -4.118 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.220 9.149 -3.645 1.00 0.00 H new ATOM 951 N PRO A 72 -6.477 7.268 -8.332 1.00 0.00 N ATOM 952 CA PRO A 72 -7.136 6.632 -9.482 1.00 0.00 C ATOM 953 C PRO A 72 -6.988 5.111 -9.494 1.00 0.00 C ATOM 954 O PRO A 72 -7.977 4.395 -9.638 1.00 0.00 O ATOM 955 CB PRO A 72 -6.424 7.245 -10.686 1.00 0.00 C ATOM 956 CG PRO A 72 -5.967 8.577 -10.210 1.00 0.00 C ATOM 957 CD PRO A 72 -5.623 8.400 -8.754 1.00 0.00 C ATOM 0 HA PRO A 72 -8.212 6.804 -9.467 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.584 6.629 -11.007 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.096 7.338 -11.539 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.101 8.918 -10.777 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.748 9.327 -10.338 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.565 8.178 -8.616 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.837 9.301 -8.179 1.00 0.00 H new ATOM 965 N ALA A 73 -5.755 4.622 -9.338 1.00 0.00 N ATOM 966 CA ALA A 73 -5.498 3.181 -9.328 1.00 0.00 C ATOM 967 C ALA A 73 -6.161 2.519 -8.123 1.00 0.00 C ATOM 968 O ALA A 73 -6.796 1.470 -8.252 1.00 0.00 O ATOM 969 CB ALA A 73 -4.002 2.903 -9.329 1.00 0.00 C ATOM 0 H ALA A 73 -4.923 5.200 -9.218 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.930 2.755 -10.233 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.832 1.826 -9.321 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.552 3.335 -10.223 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.549 3.348 -8.443 1.00 0.00 H new ATOM 975 N GLN A 74 -6.016 3.147 -6.954 1.00 0.00 N ATOM 976 CA GLN A 74 -6.607 2.632 -5.721 1.00 0.00 C ATOM 977 C GLN A 74 -8.123 2.472 -5.871 1.00 0.00 C ATOM 978 O GLN A 74 -8.702 1.496 -5.390 1.00 0.00 O ATOM 979 CB GLN A 74 -6.292 3.566 -4.547 1.00 0.00 C ATOM 980 CG GLN A 74 -6.746 3.022 -3.201 1.00 0.00 C ATOM 981 CD GLN A 74 -5.595 2.550 -2.329 1.00 0.00 C ATOM 982 OE1 GLN A 74 -4.949 1.546 -2.626 1.00 0.00 O ATOM 983 NE2 GLN A 74 -5.338 3.270 -1.242 1.00 0.00 N ATOM 0 H GLN A 74 -5.493 4.015 -6.837 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.173 1.652 -5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.217 3.745 -4.514 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.771 4.530 -4.721 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.301 3.796 -2.672 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.434 2.192 -3.365 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.899 4.096 -1.033 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.580 2.997 -0.617 1.00 0.00 H new ATOM 992 N LEU A 75 -8.757 3.432 -6.546 1.00 0.00 N ATOM 993 CA LEU A 75 -10.201 3.396 -6.767 1.00 0.00 C ATOM 994 C LEU A 75 -10.552 2.495 -7.953 1.00 0.00 C ATOM 995 O LEU A 75 -11.602 1.851 -7.959 1.00 0.00 O ATOM 996 CB LEU A 75 -10.734 4.811 -7.008 1.00 0.00 C ATOM 997 CG LEU A 75 -12.253 4.915 -7.188 1.00 0.00 C ATOM 998 CD1 LEU A 75 -12.819 6.049 -6.345 1.00 0.00 C ATOM 999 CD2 LEU A 75 -12.605 5.110 -8.658 1.00 0.00 C ATOM 0 H LEU A 75 -8.291 4.245 -6.949 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.671 2.984 -5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.440 5.441 -6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.250 5.218 -7.896 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.703 3.982 -6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.898 6.105 -6.488 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.601 5.864 -5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.363 6.991 -6.650 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.687 5.182 -8.767 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.142 6.026 -9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.238 4.262 -9.236 1.00 0.00 H new ATOM 1011 N GLU A 76 -9.668 2.458 -8.955 1.00 0.00 N ATOM 1012 CA GLU A 76 -9.881 1.637 -10.150 1.00 0.00 C ATOM 1013 C GLU A 76 -10.090 0.164 -9.785 1.00 0.00 C ATOM 1014 O GLU A 76 -10.792 -0.562 -10.491 1.00 0.00 O ATOM 1015 CB GLU A 76 -8.694 1.772 -11.113 1.00 0.00 C ATOM 1016 CG GLU A 76 -8.989 2.636 -12.331 1.00 0.00 C ATOM 1017 CD GLU A 76 -7.806 2.743 -13.276 1.00 0.00 C ATOM 1018 OE1 GLU A 76 -7.534 1.763 -14.002 1.00 0.00 O ATOM 1019 OE2 GLU A 76 -7.155 3.809 -13.292 1.00 0.00 O ATOM 0 H GLU A 76 -8.797 2.988 -8.962 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.784 1.999 -10.642 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.847 2.196 -10.574 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.394 0.779 -11.447 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.841 2.220 -12.868 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.277 3.634 -12.002 1.00 0.00 H new ATOM 1026 N MET A 77 -9.478 -0.271 -8.678 1.00 0.00 N ATOM 1027 CA MET A 77 -9.599 -1.656 -8.220 1.00 0.00 C ATOM 1028 C MET A 77 -11.051 -2.000 -7.868 1.00 0.00 C ATOM 1029 O MET A 77 -11.915 -1.120 -7.815 1.00 0.00 O ATOM 1030 CB MET A 77 -8.703 -1.895 -6.997 1.00 0.00 C ATOM 1031 CG MET A 77 -7.233 -1.565 -7.227 1.00 0.00 C ATOM 1032 SD MET A 77 -6.421 -0.948 -5.738 1.00 0.00 S ATOM 1033 CE MET A 77 -4.699 -1.067 -6.219 1.00 0.00 C ATOM 0 H MET A 77 -8.894 0.318 -8.084 1.00 0.00 H new ATOM 0 HA MET A 77 -9.278 -2.303 -9.036 1.00 0.00 H new ATOM 0 HB2 MET A 77 -9.073 -1.294 -6.166 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.787 -2.940 -6.697 1.00 0.00 H new ATOM 0 HG2 MET A 77 -6.714 -2.458 -7.576 1.00 0.00 H new ATOM 0 HG3 MET A 77 -7.151 -0.819 -8.017 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.135 -1.569 -5.433 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.618 -1.637 -7.144 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.294 -0.067 -6.373 1.00 0.00 H new ATOM 1043 N GLU A 78 -11.311 -3.285 -7.618 1.00 0.00 N ATOM 1044 CA GLU A 78 -12.656 -3.742 -7.263 1.00 0.00 C ATOM 1045 C GLU A 78 -12.684 -4.344 -5.857 1.00 0.00 C ATOM 1046 O GLU A 78 -13.512 -3.957 -5.028 1.00 0.00 O ATOM 1047 CB GLU A 78 -13.177 -4.758 -8.291 1.00 0.00 C ATOM 1048 CG GLU A 78 -12.259 -5.954 -8.516 1.00 0.00 C ATOM 1049 CD GLU A 78 -12.521 -6.659 -9.836 1.00 0.00 C ATOM 1050 OE1 GLU A 78 -12.459 -5.992 -10.891 1.00 0.00 O ATOM 1051 OE2 GLU A 78 -12.786 -7.880 -9.814 1.00 0.00 O ATOM 0 H GLU A 78 -10.610 -4.025 -7.655 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.313 -2.872 -7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.152 -5.120 -7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.329 -4.248 -9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.222 -5.620 -8.488 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.388 -6.664 -7.699 1.00 0.00 H new ATOM 1058 N ASP A 79 -11.776 -5.286 -5.591 1.00 0.00 N ATOM 1059 CA ASP A 79 -11.699 -5.934 -4.284 1.00 0.00 C ATOM 1060 C ASP A 79 -10.423 -6.764 -4.158 1.00 0.00 C ATOM 1061 O ASP A 79 -9.629 -6.559 -3.240 1.00 0.00 O ATOM 1062 CB ASP A 79 -12.922 -6.825 -4.056 1.00 0.00 C ATOM 1063 CG ASP A 79 -13.576 -6.573 -2.711 1.00 0.00 C ATOM 1064 OD1 ASP A 79 -12.874 -6.659 -1.682 1.00 0.00 O ATOM 1065 OD2 ASP A 79 -14.792 -6.291 -2.687 1.00 0.00 O ATOM 0 H ASP A 79 -11.085 -5.616 -6.265 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.680 -5.153 -3.524 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.649 -6.650 -4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.624 -7.871 -4.122 1.00 0.00 H new ATOM 1070 N GLU A 80 -10.239 -7.699 -5.090 1.00 0.00 N ATOM 1071 CA GLU A 80 -9.065 -8.566 -5.097 1.00 0.00 C ATOM 1072 C GLU A 80 -7.881 -7.866 -5.767 1.00 0.00 C ATOM 1073 O GLU A 80 -7.861 -7.691 -6.987 1.00 0.00 O ATOM 1074 CB GLU A 80 -9.385 -9.876 -5.827 1.00 0.00 C ATOM 1075 CG GLU A 80 -9.560 -11.071 -4.900 1.00 0.00 C ATOM 1076 CD GLU A 80 -9.412 -12.399 -5.621 1.00 0.00 C ATOM 1077 OE1 GLU A 80 -8.440 -12.555 -6.393 1.00 0.00 O ATOM 1078 OE2 GLU A 80 -10.269 -13.284 -5.415 1.00 0.00 O ATOM 0 H GLU A 80 -10.893 -7.874 -5.853 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.794 -8.790 -4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.297 -9.743 -6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.584 -10.091 -6.534 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.824 -11.014 -4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.544 -11.023 -4.434 1.00 0.00 H new ATOM 1085 N ASP A 81 -6.899 -7.465 -4.959 1.00 0.00 N ATOM 1086 CA ASP A 81 -5.715 -6.780 -5.472 1.00 0.00 C ATOM 1087 C ASP A 81 -4.490 -7.060 -4.599 1.00 0.00 C ATOM 1088 O ASP A 81 -4.621 -7.420 -3.427 1.00 0.00 O ATOM 1089 CB ASP A 81 -5.976 -5.274 -5.554 1.00 0.00 C ATOM 1090 CG ASP A 81 -5.712 -4.718 -6.938 1.00 0.00 C ATOM 1091 OD1 ASP A 81 -6.623 -4.783 -7.789 1.00 0.00 O ATOM 1092 OD2 ASP A 81 -4.594 -4.217 -7.172 1.00 0.00 O ATOM 0 H ASP A 81 -6.901 -7.603 -3.948 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.507 -7.162 -6.471 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.010 -5.071 -5.275 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.344 -4.758 -4.831 1.00 0.00 H new ATOM 1097 N THR A 82 -3.299 -6.897 -5.179 1.00 0.00 N ATOM 1098 CA THR A 82 -2.050 -7.137 -4.455 1.00 0.00 C ATOM 1099 C THR A 82 -0.949 -6.180 -4.911 1.00 0.00 C ATOM 1100 O THR A 82 -0.911 -5.768 -6.072 1.00 0.00 O ATOM 1101 CB THR A 82 -1.581 -8.586 -4.651 1.00 0.00 C ATOM 1102 OG1 THR A 82 -1.595 -8.947 -6.024 1.00 0.00 O ATOM 1103 CG2 THR A 82 -2.419 -9.599 -3.903 1.00 0.00 C ATOM 0 H THR A 82 -3.174 -6.600 -6.147 1.00 0.00 H new ATOM 0 HA THR A 82 -2.248 -6.961 -3.398 1.00 0.00 H new ATOM 0 HB THR A 82 -0.568 -8.609 -4.249 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.291 -9.873 -6.122 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.030 -10.600 -4.088 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.380 -9.386 -2.835 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.452 -9.542 -4.247 1.00 0.00 H new ATOM 1111 N ILE A 83 -0.048 -5.842 -3.987 1.00 0.00 N ATOM 1112 CA ILE A 83 1.070 -4.945 -4.284 1.00 0.00 C ATOM 1113 C ILE A 83 2.325 -5.363 -3.518 1.00 0.00 C ATOM 1114 O ILE A 83 2.243 -6.090 -2.525 1.00 0.00 O ATOM 1115 CB ILE A 83 0.744 -3.466 -3.952 1.00 0.00 C ATOM 1116 CG1 ILE A 83 -0.302 -3.364 -2.837 1.00 0.00 C ATOM 1117 CG2 ILE A 83 0.265 -2.737 -5.199 1.00 0.00 C ATOM 1118 CD1 ILE A 83 0.202 -3.831 -1.489 1.00 0.00 C ATOM 0 H ILE A 83 -0.071 -6.177 -3.024 1.00 0.00 H new ATOM 0 HA ILE A 83 1.249 -5.024 -5.356 1.00 0.00 H new ATOM 0 HB ILE A 83 1.659 -2.992 -3.597 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.632 -2.328 -2.753 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.175 -3.955 -3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.040 -1.700 -4.950 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.045 -2.767 -5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.633 -3.222 -5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.592 -3.730 -0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.505 -4.876 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.056 -3.224 -1.190 1.00 0.00 H new ATOM 1130 N ASP A 84 3.484 -4.901 -3.986 1.00 0.00 N ATOM 1131 CA ASP A 84 4.758 -5.226 -3.350 1.00 0.00 C ATOM 1132 C ASP A 84 5.398 -3.983 -2.740 1.00 0.00 C ATOM 1133 O ASP A 84 5.913 -3.124 -3.458 1.00 0.00 O ATOM 1134 CB ASP A 84 5.713 -5.854 -4.368 1.00 0.00 C ATOM 1135 CG ASP A 84 5.685 -7.369 -4.334 1.00 0.00 C ATOM 1136 OD1 ASP A 84 4.703 -7.956 -4.836 1.00 0.00 O ATOM 1137 OD2 ASP A 84 6.644 -7.969 -3.804 1.00 0.00 O ATOM 0 H ASP A 84 3.566 -4.299 -4.805 1.00 0.00 H new ATOM 0 HA ASP A 84 4.563 -5.941 -2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.449 -5.512 -5.368 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.728 -5.508 -4.171 1.00 0.00 H new ATOM 1142 N VAL A 85 5.370 -3.894 -1.413 1.00 0.00 N ATOM 1143 CA VAL A 85 5.955 -2.755 -0.716 1.00 0.00 C ATOM 1144 C VAL A 85 7.473 -2.903 -0.602 1.00 0.00 C ATOM 1145 O VAL A 85 7.977 -3.816 0.057 1.00 0.00 O ATOM 1146 CB VAL A 85 5.338 -2.559 0.687 1.00 0.00 C ATOM 1147 CG1 VAL A 85 5.569 -3.779 1.568 1.00 0.00 C ATOM 1148 CG2 VAL A 85 5.901 -1.305 1.342 1.00 0.00 C ATOM 0 H VAL A 85 4.950 -4.594 -0.802 1.00 0.00 H new ATOM 0 HA VAL A 85 5.729 -1.870 -1.310 1.00 0.00 H new ATOM 0 HB VAL A 85 4.261 -2.437 0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.123 -3.610 2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.110 -4.653 1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.640 -3.949 1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.457 -1.180 2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.982 -1.400 1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.667 -0.437 0.726 1.00 0.00 H new ATOM 1158 N PHE A 86 8.192 -2.000 -1.261 1.00 0.00 N ATOM 1159 CA PHE A 86 9.652 -2.015 -1.256 1.00 0.00 C ATOM 1160 C PHE A 86 10.209 -0.827 -0.470 1.00 0.00 C ATOM 1161 O PHE A 86 9.468 0.089 -0.106 1.00 0.00 O ATOM 1162 CB PHE A 86 10.171 -1.989 -2.697 1.00 0.00 C ATOM 1163 CG PHE A 86 10.286 -3.351 -3.328 1.00 0.00 C ATOM 1164 CD1 PHE A 86 9.255 -4.276 -3.220 1.00 0.00 C ATOM 1165 CD2 PHE A 86 11.425 -3.706 -4.030 1.00 0.00 C ATOM 1166 CE1 PHE A 86 9.364 -5.526 -3.799 1.00 0.00 C ATOM 1167 CE2 PHE A 86 11.539 -4.954 -4.611 1.00 0.00 C ATOM 1168 CZ PHE A 86 10.508 -5.865 -4.496 1.00 0.00 C ATOM 0 H PHE A 86 7.784 -1.243 -1.809 1.00 0.00 H new ATOM 0 HA PHE A 86 9.990 -2.929 -0.767 1.00 0.00 H new ATOM 0 HB2 PHE A 86 9.505 -1.374 -3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.149 -1.509 -2.712 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.358 -4.015 -2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 86 12.235 -2.998 -4.125 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.556 -6.237 -3.707 1.00 0.00 H new ATOM 0 HE2 PHE A 86 12.434 -5.217 -5.155 1.00 0.00 H new ATOM 0 HZ PHE A 86 10.595 -6.841 -4.950 1.00 0.00 H new ATOM 1178 N GLN A 87 11.518 -0.848 -0.207 1.00 0.00 N ATOM 1179 CA GLN A 87 12.170 0.230 0.540 1.00 0.00 C ATOM 1180 C GLN A 87 13.417 0.735 -0.186 1.00 0.00 C ATOM 1181 O GLN A 87 14.008 0.019 -0.997 1.00 0.00 O ATOM 1182 CB GLN A 87 12.542 -0.244 1.950 1.00 0.00 C ATOM 1183 CG GLN A 87 11.368 -0.805 2.741 1.00 0.00 C ATOM 1184 CD GLN A 87 10.260 0.212 2.953 1.00 0.00 C ATOM 1185 OE1 GLN A 87 10.507 1.418 3.002 1.00 0.00 O ATOM 1186 NE2 GLN A 87 9.027 -0.269 3.078 1.00 0.00 N ATOM 0 H GLN A 87 12.145 -1.597 -0.499 1.00 0.00 H new ATOM 0 HA GLN A 87 11.462 1.055 0.615 1.00 0.00 H new ATOM 0 HB2 GLN A 87 13.315 -1.009 1.874 1.00 0.00 H new ATOM 0 HB3 GLN A 87 12.973 0.591 2.502 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.964 -1.671 2.217 1.00 0.00 H new ATOM 0 HG3 GLN A 87 11.723 -1.155 3.710 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.865 -1.275 3.032 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.243 0.368 3.220 1.00 0.00 H new ATOM 1195 N GLN A 88 13.810 1.977 0.110 1.00 0.00 N ATOM 1196 CA GLN A 88 14.986 2.584 -0.515 1.00 0.00 C ATOM 1197 C GLN A 88 15.929 3.172 0.535 1.00 0.00 C ATOM 1198 O GLN A 88 15.486 3.790 1.502 1.00 0.00 O ATOM 1199 CB GLN A 88 14.556 3.680 -1.497 1.00 0.00 C ATOM 1200 CG GLN A 88 15.691 4.214 -2.362 1.00 0.00 C ATOM 1201 CD GLN A 88 15.908 5.708 -2.191 1.00 0.00 C ATOM 1202 OE1 GLN A 88 15.483 6.507 -3.024 1.00 0.00 O ATOM 1203 NE2 GLN A 88 16.574 6.093 -1.107 1.00 0.00 N ATOM 0 H GLN A 88 13.331 2.581 0.778 1.00 0.00 H new ATOM 0 HA GLN A 88 15.520 1.802 -1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.773 3.287 -2.145 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.120 4.507 -0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.612 3.687 -2.112 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.476 4.000 -3.409 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.909 5.397 -0.441 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.750 7.084 -0.941 1.00 0.00 H new ATOM 1212 N GLN A 89 17.233 2.984 0.329 1.00 0.00 N ATOM 1213 CA GLN A 89 18.240 3.504 1.251 1.00 0.00 C ATOM 1214 C GLN A 89 19.369 4.195 0.488 1.00 0.00 C ATOM 1215 O GLN A 89 19.977 3.605 -0.405 1.00 0.00 O ATOM 1216 CB GLN A 89 18.799 2.376 2.120 1.00 0.00 C ATOM 1217 CG GLN A 89 17.913 2.038 3.310 1.00 0.00 C ATOM 1218 CD GLN A 89 18.130 0.628 3.827 1.00 0.00 C ATOM 1219 OE1 GLN A 89 18.557 0.432 4.965 1.00 0.00 O ATOM 1220 NE2 GLN A 89 17.835 -0.363 2.994 1.00 0.00 N ATOM 0 H GLN A 89 17.615 2.475 -0.468 1.00 0.00 H new ATOM 0 HA GLN A 89 17.763 4.241 1.897 1.00 0.00 H new ATOM 0 HB2 GLN A 89 18.928 1.484 1.507 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.787 2.660 2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 89 18.107 2.748 4.114 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.868 2.158 3.024 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.483 -0.156 2.059 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.960 -1.331 3.289 1.00 0.00 H new ATOM 1229 N THR A 90 19.637 5.451 0.845 1.00 0.00 N ATOM 1230 CA THR A 90 20.687 6.234 0.193 1.00 0.00 C ATOM 1231 C THR A 90 22.082 5.768 0.619 1.00 0.00 C ATOM 1232 O THR A 90 22.885 5.352 -0.219 1.00 0.00 O ATOM 1233 CB THR A 90 20.517 7.726 0.505 1.00 0.00 C ATOM 1234 OG1 THR A 90 19.153 8.047 0.715 1.00 0.00 O ATOM 1235 CG2 THR A 90 21.035 8.632 -0.591 1.00 0.00 C ATOM 0 H THR A 90 19.140 5.949 1.584 1.00 0.00 H new ATOM 0 HA THR A 90 20.591 6.079 -0.882 1.00 0.00 H new ATOM 0 HB THR A 90 21.106 7.897 1.406 1.00 0.00 H new ATOM 0 HG1 THR A 90 19.069 9.003 0.914 1.00 0.00 H new ATOM 0 HG21 THR A 90 20.883 9.673 -0.305 1.00 0.00 H new ATOM 0 HG22 THR A 90 22.099 8.449 -0.742 1.00 0.00 H new ATOM 0 HG23 THR A 90 20.497 8.428 -1.517 1.00 0.00 H new ATOM 1243 N GLY A 91 22.366 5.846 1.922 1.00 0.00 N ATOM 1244 CA GLY A 91 23.666 5.435 2.431 1.00 0.00 C ATOM 1245 C GLY A 91 24.370 6.539 3.204 1.00 0.00 C ATOM 1246 O GLY A 91 24.959 6.285 4.256 1.00 0.00 O ATOM 0 H GLY A 91 21.718 6.187 2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.540 4.567 3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 91 24.295 5.122 1.598 1.00 0.00 H new ATOM 1250 N GLY A 92 24.310 7.767 2.682 1.00 0.00 N ATOM 1251 CA GLY A 92 24.949 8.894 3.344 1.00 0.00 C ATOM 1252 C GLY A 92 24.492 10.233 2.795 1.00 0.00 C ATOM 1253 O GLY A 92 23.988 11.059 3.584 1.00 0.00 O ATOM 0 H GLY A 92 23.830 7.999 1.813 1.00 0.00 H new ATOM 0 HA2 GLY A 92 24.735 8.852 4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 92 26.030 8.810 3.232 1.00 0.00 H new TER 1257 GLY A 92