USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 828 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 13 GLN : amide:sc= -4.79 K(o=-3.6,f=-10!) USER MOD Set 1.2: A 115 THR OG1 : rot -65:sc= 1.2 USER MOD Set 2.1: A 69 SER OG : rot 130:sc= -0.0933 USER MOD Set 2.2: A 76 ASN : amide:sc= -2.52! K(o=-2.6!,f=-1.4) USER MOD Set 3.1: A 42 MET CE :methyl -150:sc= -0.0242 (180deg=-0.738) USER MOD Set 3.2: A 56 ASN : amide:sc= -6.38! C(o=-6.4!,f=-22!) USER MOD Single : A 10 GLN : amide:sc= -3.09! X(o=-3.1!,f=-3.3) USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0246) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0176 USER MOD Single : A 25 SER OG : rot 26:sc= 0.202 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 165:sc= -0.157 (180deg=-0.211) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.288 K(o=-0.29,f=-2.3) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -1.94! X(o=-1.9!,f=-2.1) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 34:sc= 0.555 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -72:sc= 1.1 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.667 X(o=-0.67,f=-0.84) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -29:sc= 0.457 USER MOD Single : A 94 TYR OH : rot -37:sc= 1.04 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.918 USER MOD Single : A 98 LYS NZ :NH3+ -146:sc= -1.87 (180deg=-4.49!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -144:sc= 0.605 (180deg=0.106) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 111:sc= 1.19 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -6.636 26.872 -4.366 1.00 0.00 N ATOM 67 CA GLU A 8 -7.210 26.112 -3.262 1.00 0.00 C ATOM 68 C GLU A 8 -6.588 24.721 -3.177 1.00 0.00 C ATOM 69 O GLU A 8 -6.527 23.994 -4.170 1.00 0.00 O ATOM 70 CB GLU A 8 -8.727 25.995 -3.427 1.00 0.00 C ATOM 71 CG GLU A 8 -9.380 25.066 -2.418 1.00 0.00 C ATOM 72 CD GLU A 8 -10.894 25.111 -2.477 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.460 24.699 -3.511 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.513 25.559 -1.489 1.00 0.00 O ATOM 0 HA GLU A 8 -6.993 26.646 -2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.171 26.986 -3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.948 25.638 -4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.043 24.045 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.051 25.337 -1.415 1.00 0.00 H new ATOM 81 N LEU A 9 -6.128 24.357 -1.985 1.00 0.00 N ATOM 82 CA LEU A 9 -5.509 23.054 -1.770 1.00 0.00 C ATOM 83 C LEU A 9 -6.326 21.948 -2.431 1.00 0.00 C ATOM 84 O LEU A 9 -7.552 22.024 -2.496 1.00 0.00 O ATOM 85 CB LEU A 9 -5.371 22.775 -0.272 1.00 0.00 C ATOM 86 CG LEU A 9 -4.956 21.353 0.110 1.00 0.00 C ATOM 87 CD1 LEU A 9 -4.204 21.354 1.432 1.00 0.00 C ATOM 88 CD2 LEU A 9 -6.174 20.445 0.188 1.00 0.00 C ATOM 0 H LEU A 9 -6.172 24.946 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.518 23.070 -2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.639 23.469 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.325 22.995 0.208 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.290 20.969 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.917 20.334 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.310 21.971 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.846 21.758 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.860 19.438 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.864 20.826 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.672 20.420 -0.781 1.00 0.00 H new ATOM 100 N GLN A 10 -5.636 20.921 -2.917 1.00 0.00 N ATOM 101 CA GLN A 10 -6.298 19.798 -3.572 1.00 0.00 C ATOM 102 C GLN A 10 -5.469 18.525 -3.440 1.00 0.00 C ATOM 103 O GLN A 10 -4.243 18.558 -3.537 1.00 0.00 O ATOM 104 CB GLN A 10 -6.540 20.113 -5.049 1.00 0.00 C ATOM 105 CG GLN A 10 -6.557 18.880 -5.938 1.00 0.00 C ATOM 106 CD GLN A 10 -7.718 17.954 -5.631 1.00 0.00 C ATOM 107 OE1 GLN A 10 -8.707 18.362 -5.021 1.00 0.00 O ATOM 108 NE2 GLN A 10 -7.603 16.700 -6.052 1.00 0.00 N ATOM 0 H GLN A 10 -4.620 20.843 -2.870 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.257 19.637 -3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.491 20.637 -5.149 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.763 20.793 -5.399 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.611 19.190 -6.982 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.621 18.335 -5.815 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.765 16.405 -6.554 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.352 16.031 -5.874 1.00 0.00 H new ATOM 117 N VAL A 11 -6.147 17.403 -3.217 1.00 0.00 N ATOM 118 CA VAL A 11 -5.474 16.119 -3.073 1.00 0.00 C ATOM 119 C VAL A 11 -5.094 15.541 -4.432 1.00 0.00 C ATOM 120 O VAL A 11 -5.954 15.088 -5.187 1.00 0.00 O ATOM 121 CB VAL A 11 -6.357 15.103 -2.325 1.00 0.00 C ATOM 122 CG1 VAL A 11 -5.706 13.728 -2.322 1.00 0.00 C ATOM 123 CG2 VAL A 11 -6.627 15.576 -0.905 1.00 0.00 C ATOM 0 H VAL A 11 -7.162 17.358 -3.132 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.569 16.300 -2.493 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.311 15.025 -2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.345 13.024 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.569 13.388 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.737 13.785 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.252 14.846 -0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.683 15.684 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.140 16.537 -0.933 1.00 0.00 H new ATOM 133 N ILE A 12 -3.800 15.561 -4.736 1.00 0.00 N ATOM 134 CA ILE A 12 -3.306 15.038 -6.003 1.00 0.00 C ATOM 135 C ILE A 12 -2.895 13.575 -5.872 1.00 0.00 C ATOM 136 O ILE A 12 -1.756 13.270 -5.523 1.00 0.00 O ATOM 137 CB ILE A 12 -2.105 15.852 -6.518 1.00 0.00 C ATOM 138 CG1 ILE A 12 -2.550 17.259 -6.922 1.00 0.00 C ATOM 139 CG2 ILE A 12 -1.447 15.142 -7.692 1.00 0.00 C ATOM 140 CD1 ILE A 12 -3.574 17.273 -8.035 1.00 0.00 C ATOM 0 H ILE A 12 -3.076 15.934 -4.122 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.124 15.120 -6.718 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.373 15.939 -5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.966 17.764 -6.050 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.677 17.831 -7.235 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.600 15.730 -8.044 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.099 14.159 -7.374 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.170 15.027 -8.500 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.843 18.303 -8.269 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.154 16.797 -8.921 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.464 16.729 -7.718 1.00 0.00 H new ATOM 152 N GLN A 13 -3.832 12.676 -6.155 1.00 0.00 N ATOM 153 CA GLN A 13 -3.567 11.245 -6.070 1.00 0.00 C ATOM 154 C GLN A 13 -3.412 10.635 -7.459 1.00 0.00 C ATOM 155 O GLN A 13 -4.383 10.223 -8.094 1.00 0.00 O ATOM 156 CB GLN A 13 -4.694 10.540 -5.313 1.00 0.00 C ATOM 157 CG GLN A 13 -4.730 10.869 -3.830 1.00 0.00 C ATOM 158 CD GLN A 13 -3.905 9.906 -2.998 1.00 0.00 C ATOM 159 OE1 GLN A 13 -2.825 10.250 -2.518 1.00 0.00 O ATOM 160 NE2 GLN A 13 -4.411 8.691 -2.824 1.00 0.00 N ATOM 0 H GLN A 13 -4.781 12.913 -6.445 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.632 11.107 -5.527 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.649 10.815 -5.761 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.584 9.462 -5.435 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.361 11.883 -3.678 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.763 10.850 -3.483 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.310 8.449 -3.240 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.901 8.000 -2.274 1.00 0.00 H new ATOM 169 N PRO A 14 -2.163 10.577 -7.945 1.00 0.00 N ATOM 170 CA PRO A 14 -1.852 10.019 -9.264 1.00 0.00 C ATOM 171 C PRO A 14 -2.048 8.508 -9.316 1.00 0.00 C ATOM 172 O PRO A 14 -2.528 7.969 -10.313 1.00 0.00 O ATOM 173 CB PRO A 14 -0.376 10.374 -9.461 1.00 0.00 C ATOM 174 CG PRO A 14 0.168 10.510 -8.080 1.00 0.00 C ATOM 175 CD PRO A 14 -0.958 11.050 -7.243 1.00 0.00 C ATOM 0 HA PRO A 14 -2.507 10.417 -10.039 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.147 9.597 -10.018 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.263 11.300 -10.024 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.511 9.548 -7.699 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.025 11.183 -8.063 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.915 10.674 -6.221 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.929 12.138 -7.184 1.00 0.00 H new ATOM 183 N GLU A 15 -1.673 7.830 -8.236 1.00 0.00 N ATOM 184 CA GLU A 15 -1.808 6.380 -8.160 1.00 0.00 C ATOM 185 C GLU A 15 -3.258 5.981 -7.899 1.00 0.00 C ATOM 186 O GLU A 15 -3.678 5.838 -6.751 1.00 0.00 O ATOM 187 CB GLU A 15 -0.907 5.819 -7.057 1.00 0.00 C ATOM 188 CG GLU A 15 0.533 5.613 -7.494 1.00 0.00 C ATOM 189 CD GLU A 15 1.272 4.620 -6.618 1.00 0.00 C ATOM 190 OE1 GLU A 15 1.562 4.958 -5.452 1.00 0.00 O ATOM 191 OE2 GLU A 15 1.559 3.504 -7.100 1.00 0.00 O ATOM 0 H GLU A 15 -1.274 8.261 -7.402 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.501 5.962 -9.119 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.926 6.498 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.314 4.867 -6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.549 5.263 -8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.055 6.569 -7.473 1.00 0.00 H new ATOM 198 N LYS A 16 -4.018 5.804 -8.974 1.00 0.00 N ATOM 199 CA LYS A 16 -5.421 5.421 -8.865 1.00 0.00 C ATOM 200 C LYS A 16 -5.568 4.103 -8.111 1.00 0.00 C ATOM 201 O LYS A 16 -6.573 3.870 -7.440 1.00 0.00 O ATOM 202 CB LYS A 16 -6.047 5.298 -10.256 1.00 0.00 C ATOM 203 CG LYS A 16 -7.527 4.956 -10.228 1.00 0.00 C ATOM 204 CD LYS A 16 -8.182 5.208 -11.576 1.00 0.00 C ATOM 205 CE LYS A 16 -8.683 6.639 -11.694 1.00 0.00 C ATOM 206 NZ LYS A 16 -9.939 6.853 -10.922 1.00 0.00 N ATOM 0 H LYS A 16 -3.686 5.920 -9.931 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.942 6.199 -8.307 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.910 6.237 -10.792 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.516 4.530 -10.818 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.655 3.910 -9.950 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.025 5.552 -9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.466 5.005 -12.373 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.015 4.518 -11.712 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.915 7.323 -11.334 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.857 6.878 -12.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.330 7.790 -11.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.631 6.119 -11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.734 6.800 -9.904 1.00 0.00 H new ATOM 220 N SER A 17 -4.559 3.245 -8.227 1.00 0.00 N ATOM 221 CA SER A 17 -4.578 1.949 -7.558 1.00 0.00 C ATOM 222 C SER A 17 -3.175 1.354 -7.487 1.00 0.00 C ATOM 223 O SER A 17 -2.262 1.802 -8.181 1.00 0.00 O ATOM 224 CB SER A 17 -5.516 0.987 -8.290 1.00 0.00 C ATOM 225 OG SER A 17 -5.245 0.971 -9.681 1.00 0.00 O ATOM 0 H SER A 17 -3.719 3.424 -8.777 1.00 0.00 H new ATOM 0 HA SER A 17 -4.943 2.098 -6.542 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.402 -0.018 -7.882 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.551 1.284 -8.121 1.00 0.00 H new ATOM 0 HG SER A 17 -5.856 0.348 -10.126 1.00 0.00 H new ATOM 231 N VAL A 18 -3.010 0.341 -6.642 1.00 0.00 N ATOM 232 CA VAL A 18 -1.720 -0.317 -6.480 1.00 0.00 C ATOM 233 C VAL A 18 -1.879 -1.832 -6.423 1.00 0.00 C ATOM 234 O VAL A 18 -2.996 -2.349 -6.404 1.00 0.00 O ATOM 235 CB VAL A 18 -1.002 0.161 -5.203 1.00 0.00 C ATOM 236 CG1 VAL A 18 -0.717 1.653 -5.278 1.00 0.00 C ATOM 237 CG2 VAL A 18 -1.831 -0.171 -3.971 1.00 0.00 C ATOM 0 H VAL A 18 -3.754 -0.042 -6.059 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.118 -0.050 -7.348 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.049 -0.363 -5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.210 1.973 -4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.081 1.859 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.655 2.198 -5.381 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.310 0.173 -3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.799 0.325 -4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.979 -1.249 -3.912 1.00 0.00 H new ATOM 247 N SER A 19 -0.754 -2.540 -6.396 1.00 0.00 N ATOM 248 CA SER A 19 -0.768 -3.997 -6.345 1.00 0.00 C ATOM 249 C SER A 19 0.443 -4.525 -5.581 1.00 0.00 C ATOM 250 O SER A 19 1.579 -4.136 -5.849 1.00 0.00 O ATOM 251 CB SER A 19 -0.785 -4.578 -7.760 1.00 0.00 C ATOM 252 OG SER A 19 -1.306 -5.896 -7.764 1.00 0.00 O ATOM 0 H SER A 19 0.179 -2.128 -6.409 1.00 0.00 H new ATOM 0 HA SER A 19 -1.671 -4.309 -5.821 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.388 -3.943 -8.410 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.226 -4.582 -8.167 1.00 0.00 H new ATOM 0 HG SER A 19 -1.308 -6.244 -8.680 1.00 0.00 H new ATOM 258 N VAL A 20 0.189 -5.415 -4.626 1.00 0.00 N ATOM 259 CA VAL A 20 1.257 -5.999 -3.823 1.00 0.00 C ATOM 260 C VAL A 20 0.936 -7.442 -3.448 1.00 0.00 C ATOM 261 O VAL A 20 -0.082 -7.991 -3.866 1.00 0.00 O ATOM 262 CB VAL A 20 1.498 -5.188 -2.536 1.00 0.00 C ATOM 263 CG1 VAL A 20 2.539 -4.104 -2.775 1.00 0.00 C ATOM 264 CG2 VAL A 20 0.195 -4.585 -2.034 1.00 0.00 C ATOM 0 H VAL A 20 -0.746 -5.747 -4.390 1.00 0.00 H new ATOM 0 HA VAL A 20 2.160 -5.977 -4.433 1.00 0.00 H new ATOM 0 HB VAL A 20 1.879 -5.862 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.696 -3.541 -1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.478 -4.563 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.190 -3.430 -3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.384 -4.016 -1.124 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.218 -3.924 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.517 -5.383 -1.821 1.00 0.00 H new ATOM 274 N ALA A 21 1.814 -8.050 -2.657 1.00 0.00 N ATOM 275 CA ALA A 21 1.623 -9.429 -2.223 1.00 0.00 C ATOM 276 C ALA A 21 1.688 -9.541 -0.704 1.00 0.00 C ATOM 277 O ALA A 21 2.458 -8.835 -0.052 1.00 0.00 O ATOM 278 CB ALA A 21 2.665 -10.333 -2.866 1.00 0.00 C ATOM 0 H ALA A 21 2.664 -7.610 -2.304 1.00 0.00 H new ATOM 0 HA ALA A 21 0.632 -9.750 -2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.511 -11.360 -2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.569 -10.285 -3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.662 -10.003 -2.575 1.00 0.00 H new ATOM 284 N ALA A 22 0.874 -10.431 -0.145 1.00 0.00 N ATOM 285 CA ALA A 22 0.840 -10.635 1.298 1.00 0.00 C ATOM 286 C ALA A 22 2.250 -10.693 1.877 1.00 0.00 C ATOM 287 O ALA A 22 2.971 -11.671 1.684 1.00 0.00 O ATOM 288 CB ALA A 22 0.077 -11.908 1.633 1.00 0.00 C ATOM 0 H ALA A 22 0.229 -11.022 -0.670 1.00 0.00 H new ATOM 0 HA ALA A 22 0.325 -9.787 1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.059 -12.048 2.714 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.944 -11.829 1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.569 -12.761 1.165 1.00 0.00 H new ATOM 294 N GLY A 23 2.637 -9.638 2.588 1.00 0.00 N ATOM 295 CA GLY A 23 3.959 -9.589 3.183 1.00 0.00 C ATOM 296 C GLY A 23 4.871 -8.596 2.490 1.00 0.00 C ATOM 297 O GLY A 23 6.057 -8.510 2.805 1.00 0.00 O ATOM 0 H GLY A 23 2.058 -8.817 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.870 -9.322 4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.409 -10.581 3.142 1.00 0.00 H new ATOM 301 N GLU A 24 4.316 -7.847 1.543 1.00 0.00 N ATOM 302 CA GLU A 24 5.089 -6.857 0.802 1.00 0.00 C ATOM 303 C GLU A 24 4.777 -5.446 1.290 1.00 0.00 C ATOM 304 O GLU A 24 3.974 -5.257 2.204 1.00 0.00 O ATOM 305 CB GLU A 24 4.798 -6.967 -0.696 1.00 0.00 C ATOM 306 CG GLU A 24 5.168 -8.315 -1.291 1.00 0.00 C ATOM 307 CD GLU A 24 6.655 -8.601 -1.208 1.00 0.00 C ATOM 308 OE1 GLU A 24 7.108 -9.081 -0.147 1.00 0.00 O ATOM 309 OE2 GLU A 24 7.366 -8.345 -2.202 1.00 0.00 O ATOM 0 H GLU A 24 3.335 -7.907 1.271 1.00 0.00 H new ATOM 0 HA GLU A 24 6.147 -7.056 0.975 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.737 -6.783 -0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.345 -6.185 -1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.621 -9.101 -0.770 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.853 -8.346 -2.334 1.00 0.00 H new ATOM 316 N SER A 25 5.417 -4.457 0.674 1.00 0.00 N ATOM 317 CA SER A 25 5.212 -3.063 1.047 1.00 0.00 C ATOM 318 C SER A 25 4.364 -2.341 0.005 1.00 0.00 C ATOM 319 O SER A 25 4.721 -2.286 -1.172 1.00 0.00 O ATOM 320 CB SER A 25 6.557 -2.353 1.209 1.00 0.00 C ATOM 321 OG SER A 25 7.341 -2.471 0.034 1.00 0.00 O ATOM 0 H SER A 25 6.082 -4.596 -0.086 1.00 0.00 H new ATOM 0 HA SER A 25 4.682 -3.041 1.999 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.391 -1.300 1.435 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.097 -2.779 2.055 1.00 0.00 H new ATOM 0 HG SER A 25 6.753 -2.597 -0.740 1.00 0.00 H new ATOM 327 N ALA A 26 3.239 -1.787 0.446 1.00 0.00 N ATOM 328 CA ALA A 26 2.341 -1.066 -0.447 1.00 0.00 C ATOM 329 C ALA A 26 2.662 0.424 -0.463 1.00 0.00 C ATOM 330 O ALA A 26 2.718 1.070 0.584 1.00 0.00 O ATOM 331 CB ALA A 26 0.893 -1.291 -0.034 1.00 0.00 C ATOM 0 H ALA A 26 2.928 -1.824 1.417 1.00 0.00 H new ATOM 0 HA ALA A 26 2.485 -1.453 -1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.233 -0.747 -0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.662 -2.355 -0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.745 -0.932 0.985 1.00 0.00 H new ATOM 337 N THR A 27 2.875 0.966 -1.659 1.00 0.00 N ATOM 338 CA THR A 27 3.193 2.380 -1.811 1.00 0.00 C ATOM 339 C THR A 27 1.957 3.183 -2.200 1.00 0.00 C ATOM 340 O THR A 27 1.398 2.995 -3.281 1.00 0.00 O ATOM 341 CB THR A 27 4.288 2.598 -2.872 1.00 0.00 C ATOM 342 OG1 THR A 27 5.453 1.835 -2.538 1.00 0.00 O ATOM 343 CG2 THR A 27 4.654 4.071 -2.978 1.00 0.00 C ATOM 0 H THR A 27 2.833 0.447 -2.536 1.00 0.00 H new ATOM 0 HA THR A 27 3.559 2.727 -0.845 1.00 0.00 H new ATOM 0 HB THR A 27 3.900 2.266 -3.835 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.144 1.978 -3.218 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.429 4.200 -3.733 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.772 4.646 -3.261 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.023 4.424 -2.015 1.00 0.00 H new ATOM 351 N LEU A 28 1.536 4.078 -1.314 1.00 0.00 N ATOM 352 CA LEU A 28 0.365 4.911 -1.565 1.00 0.00 C ATOM 353 C LEU A 28 0.774 6.355 -1.839 1.00 0.00 C ATOM 354 O LEU A 28 0.954 7.146 -0.912 1.00 0.00 O ATOM 355 CB LEU A 28 -0.590 4.856 -0.372 1.00 0.00 C ATOM 356 CG LEU A 28 -0.994 3.459 0.100 1.00 0.00 C ATOM 357 CD1 LEU A 28 -1.970 3.551 1.264 1.00 0.00 C ATOM 358 CD2 LEU A 28 -1.601 2.664 -1.046 1.00 0.00 C ATOM 0 H LEU A 28 1.988 4.246 -0.415 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.145 4.523 -2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.126 5.380 0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.495 5.406 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.100 2.939 0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.247 2.547 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.500 4.082 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.863 4.090 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.883 1.672 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.485 3.181 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.871 2.568 -1.849 1.00 0.00 H new ATOM 370 N ARG A 29 0.915 6.693 -3.116 1.00 0.00 N ATOM 371 CA ARG A 29 1.300 8.043 -3.511 1.00 0.00 C ATOM 372 C ARG A 29 0.254 9.060 -3.066 1.00 0.00 C ATOM 373 O ARG A 29 -0.947 8.787 -3.101 1.00 0.00 O ATOM 374 CB ARG A 29 1.488 8.119 -5.028 1.00 0.00 C ATOM 375 CG ARG A 29 2.902 7.796 -5.483 1.00 0.00 C ATOM 376 CD ARG A 29 3.185 8.363 -6.866 1.00 0.00 C ATOM 377 NE ARG A 29 4.195 7.586 -7.580 1.00 0.00 N ATOM 378 CZ ARG A 29 5.472 7.533 -7.219 1.00 0.00 C ATOM 379 NH1 ARG A 29 5.893 8.208 -6.159 1.00 0.00 N ATOM 380 NH2 ARG A 29 6.331 6.804 -7.920 1.00 0.00 N ATOM 0 H ARG A 29 0.769 6.051 -3.895 1.00 0.00 H new ATOM 0 HA ARG A 29 2.244 8.282 -3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.794 7.428 -5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.226 9.121 -5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.617 8.203 -4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.044 6.715 -5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.263 8.379 -7.447 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.521 9.396 -6.773 1.00 0.00 H new ATOM 0 HE ARG A 29 3.904 7.055 -8.401 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.236 8.770 -5.618 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.874 8.165 -5.884 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.011 6.284 -8.737 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.312 6.764 -7.642 1.00 0.00 H new ATOM 394 N CYS A 30 0.717 10.232 -2.647 1.00 0.00 N ATOM 395 CA CYS A 30 -0.178 11.290 -2.193 1.00 0.00 C ATOM 396 C CYS A 30 0.564 12.619 -2.081 1.00 0.00 C ATOM 397 O CYS A 30 1.743 12.656 -1.732 1.00 0.00 O ATOM 398 CB CYS A 30 -0.794 10.922 -0.842 1.00 0.00 C ATOM 399 SG CYS A 30 -1.970 12.156 -0.200 1.00 0.00 S ATOM 0 H CYS A 30 1.707 10.474 -2.612 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.974 11.399 -2.930 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.305 9.964 -0.937 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.006 10.786 -0.115 1.00 0.00 H new ATOM 404 N ALA A 31 -0.137 13.709 -2.378 1.00 0.00 N ATOM 405 CA ALA A 31 0.454 15.039 -2.309 1.00 0.00 C ATOM 406 C ALA A 31 -0.591 16.118 -2.572 1.00 0.00 C ATOM 407 O ALA A 31 -1.547 15.901 -3.316 1.00 0.00 O ATOM 408 CB ALA A 31 1.602 15.160 -3.300 1.00 0.00 C ATOM 0 H ALA A 31 -1.115 13.696 -2.669 1.00 0.00 H new ATOM 0 HA ALA A 31 0.843 15.184 -1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.033 16.159 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.366 14.419 -3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.230 14.989 -4.310 1.00 0.00 H new ATOM 414 N MET A 32 -0.402 17.281 -1.957 1.00 0.00 N ATOM 415 CA MET A 32 -1.329 18.394 -2.126 1.00 0.00 C ATOM 416 C MET A 32 -0.726 19.473 -3.020 1.00 0.00 C ATOM 417 O MET A 32 0.459 19.428 -3.352 1.00 0.00 O ATOM 418 CB MET A 32 -1.698 18.990 -0.766 1.00 0.00 C ATOM 419 CG MET A 32 -1.866 17.948 0.328 1.00 0.00 C ATOM 420 SD MET A 32 -3.462 17.112 0.252 1.00 0.00 S ATOM 421 CE MET A 32 -2.989 15.440 0.686 1.00 0.00 C ATOM 0 H MET A 32 0.384 17.477 -1.337 1.00 0.00 H new ATOM 0 HA MET A 32 -2.231 18.013 -2.604 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.925 19.698 -0.467 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.626 19.554 -0.865 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.069 17.209 0.246 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.757 18.427 1.301 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.879 14.865 0.942 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.486 14.973 -0.161 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.313 15.463 1.541 1.00 0.00 H new ATOM 431 N THR A 33 -1.549 20.443 -3.407 1.00 0.00 N ATOM 432 CA THR A 33 -1.097 21.532 -4.264 1.00 0.00 C ATOM 433 C THR A 33 -0.794 22.784 -3.448 1.00 0.00 C ATOM 434 O THR A 33 -0.444 23.827 -4.000 1.00 0.00 O ATOM 435 CB THR A 33 -2.146 21.874 -5.338 1.00 0.00 C ATOM 436 OG1 THR A 33 -3.209 22.639 -4.759 1.00 0.00 O ATOM 437 CG2 THR A 33 -2.709 20.609 -5.967 1.00 0.00 C ATOM 0 H THR A 33 -2.532 20.496 -3.140 1.00 0.00 H new ATOM 0 HA THR A 33 -0.185 21.191 -4.754 1.00 0.00 H new ATOM 0 HB THR A 33 -1.658 22.461 -6.116 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.871 22.854 -5.449 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.448 20.876 -6.723 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.902 20.044 -6.433 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.182 19.999 -5.197 1.00 0.00 H new ATOM 445 N SER A 34 -0.932 22.673 -2.130 1.00 0.00 N ATOM 446 CA SER A 34 -0.676 23.798 -1.238 1.00 0.00 C ATOM 447 C SER A 34 -0.724 23.356 0.221 1.00 0.00 C ATOM 448 O SER A 34 -1.279 22.305 0.545 1.00 0.00 O ATOM 449 CB SER A 34 -1.697 24.911 -1.480 1.00 0.00 C ATOM 450 OG SER A 34 -1.167 26.176 -1.126 1.00 0.00 O ATOM 0 H SER A 34 -1.219 21.816 -1.657 1.00 0.00 H new ATOM 0 HA SER A 34 0.323 24.179 -1.451 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.991 24.917 -2.530 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.598 24.715 -0.898 1.00 0.00 H new ATOM 0 HG SER A 34 -1.839 26.870 -1.292 1.00 0.00 H new ATOM 456 N LEU A 35 -0.141 24.165 1.098 1.00 0.00 N ATOM 457 CA LEU A 35 -0.116 23.859 2.524 1.00 0.00 C ATOM 458 C LEU A 35 -1.231 24.597 3.258 1.00 0.00 C ATOM 459 O LEU A 35 -1.366 24.483 4.477 1.00 0.00 O ATOM 460 CB LEU A 35 1.240 24.235 3.123 1.00 0.00 C ATOM 461 CG LEU A 35 2.469 23.840 2.303 1.00 0.00 C ATOM 462 CD1 LEU A 35 3.683 24.646 2.739 1.00 0.00 C ATOM 463 CD2 LEU A 35 2.741 22.349 2.433 1.00 0.00 C ATOM 0 H LEU A 35 0.321 25.039 0.847 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.274 22.787 2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.261 25.314 3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.321 23.773 4.107 1.00 0.00 H new ATOM 0 HG LEU A 35 2.269 24.062 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.548 24.351 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.487 25.708 2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.886 24.457 3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.619 22.087 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.920 22.102 3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.879 21.789 2.070 1.00 0.00 H new ATOM 475 N ILE A 36 -2.029 25.350 2.508 1.00 0.00 N ATOM 476 CA ILE A 36 -3.134 26.103 3.088 1.00 0.00 C ATOM 477 C ILE A 36 -4.474 25.614 2.550 1.00 0.00 C ATOM 478 O ILE A 36 -4.640 25.370 1.354 1.00 0.00 O ATOM 479 CB ILE A 36 -2.999 27.611 2.803 1.00 0.00 C ATOM 480 CG1 ILE A 36 -1.664 28.135 3.338 1.00 0.00 C ATOM 481 CG2 ILE A 36 -4.160 28.373 3.423 1.00 0.00 C ATOM 482 CD1 ILE A 36 -1.370 27.703 4.757 1.00 0.00 C ATOM 0 H ILE A 36 -1.931 25.455 1.498 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.096 25.940 4.165 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.023 27.766 1.724 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.860 27.789 2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.665 29.224 3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.050 29.437 3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.098 28.014 3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.165 28.215 4.501 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.409 28.111 5.070 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.153 28.072 5.419 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.336 26.615 4.806 1.00 0.00 H new ATOM 494 N PRO A 37 -5.457 25.469 3.451 1.00 0.00 N ATOM 495 CA PRO A 37 -5.271 25.757 4.877 1.00 0.00 C ATOM 496 C PRO A 37 -4.362 24.741 5.560 1.00 0.00 C ATOM 497 O PRO A 37 -4.374 23.557 5.224 1.00 0.00 O ATOM 498 CB PRO A 37 -6.691 25.669 5.444 1.00 0.00 C ATOM 499 CG PRO A 37 -7.417 24.766 4.508 1.00 0.00 C ATOM 500 CD PRO A 37 -6.824 25.013 3.149 1.00 0.00 C ATOM 0 HA PRO A 37 -4.791 26.722 5.039 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.688 25.269 6.458 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.160 26.652 5.490 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.298 23.723 4.802 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.486 24.979 4.512 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.821 24.108 2.542 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.386 25.766 2.596 1.00 0.00 H new ATOM 508 N VAL A 38 -3.572 25.212 6.520 1.00 0.00 N ATOM 509 CA VAL A 38 -2.657 24.345 7.251 1.00 0.00 C ATOM 510 C VAL A 38 -3.387 23.136 7.826 1.00 0.00 C ATOM 511 O VAL A 38 -4.553 23.225 8.208 1.00 0.00 O ATOM 512 CB VAL A 38 -1.960 25.102 8.397 1.00 0.00 C ATOM 513 CG1 VAL A 38 -2.934 25.359 9.537 1.00 0.00 C ATOM 514 CG2 VAL A 38 -0.746 24.328 8.887 1.00 0.00 C ATOM 0 H VAL A 38 -3.548 26.190 6.809 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.905 24.007 6.538 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.619 26.065 8.018 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.424 25.895 10.338 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.769 25.958 9.174 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.308 24.408 9.917 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.266 24.878 9.697 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.060 23.349 9.250 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.040 24.201 8.066 1.00 0.00 H new ATOM 524 N GLY A 39 -2.691 22.004 7.885 1.00 0.00 N ATOM 525 CA GLY A 39 -3.289 20.793 8.415 1.00 0.00 C ATOM 526 C GLY A 39 -2.417 19.572 8.196 1.00 0.00 C ATOM 527 O GLY A 39 -1.716 19.456 7.191 1.00 0.00 O ATOM 0 H GLY A 39 -1.724 21.905 7.575 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.472 20.919 9.482 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.258 20.633 7.942 1.00 0.00 H new ATOM 531 N PRO A 40 -2.452 18.635 9.155 1.00 0.00 N ATOM 532 CA PRO A 40 -1.663 17.401 9.086 1.00 0.00 C ATOM 533 C PRO A 40 -2.167 16.452 8.004 1.00 0.00 C ATOM 534 O PRO A 40 -2.923 16.852 7.117 1.00 0.00 O ATOM 535 CB PRO A 40 -1.853 16.780 10.472 1.00 0.00 C ATOM 536 CG PRO A 40 -3.154 17.322 10.955 1.00 0.00 C ATOM 537 CD PRO A 40 -3.264 18.708 10.381 1.00 0.00 C ATOM 0 HA PRO A 40 -0.621 17.597 8.831 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.873 15.691 10.419 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.038 17.051 11.143 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.984 16.696 10.626 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.186 17.347 12.044 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.299 18.971 10.162 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.883 19.460 11.071 1.00 0.00 H new ATOM 545 N ILE A 41 -1.743 15.195 8.082 1.00 0.00 N ATOM 546 CA ILE A 41 -2.153 14.190 7.109 1.00 0.00 C ATOM 547 C ILE A 41 -2.576 12.897 7.800 1.00 0.00 C ATOM 548 O ILE A 41 -1.930 12.447 8.746 1.00 0.00 O ATOM 549 CB ILE A 41 -1.022 13.878 6.111 1.00 0.00 C ATOM 550 CG1 ILE A 41 -0.534 15.165 5.442 1.00 0.00 C ATOM 551 CG2 ILE A 41 -1.498 12.880 5.066 1.00 0.00 C ATOM 552 CD1 ILE A 41 -1.551 15.784 4.508 1.00 0.00 C ATOM 0 H ILE A 41 -1.116 14.849 8.808 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.002 14.605 6.566 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.189 13.435 6.656 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.273 15.889 6.213 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.377 14.952 4.884 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.688 12.670 4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.803 11.956 5.557 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.345 13.298 4.523 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.137 16.692 4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.794 15.077 3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.455 16.029 5.065 1.00 0.00 H new ATOM 564 N MET A 42 -3.664 12.305 7.319 1.00 0.00 N ATOM 565 CA MET A 42 -4.172 11.062 7.888 1.00 0.00 C ATOM 566 C MET A 42 -4.841 10.207 6.817 1.00 0.00 C ATOM 567 O MET A 42 -5.764 10.657 6.138 1.00 0.00 O ATOM 568 CB MET A 42 -5.165 11.360 9.013 1.00 0.00 C ATOM 569 CG MET A 42 -4.508 11.889 10.278 1.00 0.00 C ATOM 570 SD MET A 42 -5.708 12.347 11.544 1.00 0.00 S ATOM 571 CE MET A 42 -5.080 13.948 12.043 1.00 0.00 C ATOM 0 H MET A 42 -4.211 12.666 6.537 1.00 0.00 H new ATOM 0 HA MET A 42 -3.328 10.506 8.296 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.894 12.089 8.660 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.715 10.450 9.252 1.00 0.00 H new ATOM 0 HG2 MET A 42 -3.835 11.130 10.678 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.898 12.757 10.030 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.324 14.124 13.091 1.00 0.00 H new ATOM 0 HE2 MET A 42 -3.998 13.971 11.914 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.535 14.725 11.429 1.00 0.00 H new ATOM 581 N TRP A 43 -4.370 8.974 6.671 1.00 0.00 N ATOM 582 CA TRP A 43 -4.923 8.057 5.681 1.00 0.00 C ATOM 583 C TRP A 43 -6.103 7.281 6.258 1.00 0.00 C ATOM 584 O TRP A 43 -6.215 7.114 7.472 1.00 0.00 O ATOM 585 CB TRP A 43 -3.846 7.085 5.197 1.00 0.00 C ATOM 586 CG TRP A 43 -2.854 7.715 4.266 1.00 0.00 C ATOM 587 CD1 TRP A 43 -1.771 8.472 4.613 1.00 0.00 C ATOM 588 CD2 TRP A 43 -2.854 7.642 2.836 1.00 0.00 C ATOM 589 NE1 TRP A 43 -1.099 8.875 3.484 1.00 0.00 N ATOM 590 CE2 TRP A 43 -1.743 8.378 2.381 1.00 0.00 C ATOM 591 CE3 TRP A 43 -3.685 7.026 1.896 1.00 0.00 C ATOM 592 CZ2 TRP A 43 -1.444 8.514 1.029 1.00 0.00 C ATOM 593 CZ3 TRP A 43 -3.386 7.162 0.554 1.00 0.00 C ATOM 594 CH2 TRP A 43 -2.273 7.900 0.130 1.00 0.00 C ATOM 0 H TRP A 43 -3.607 8.586 7.225 1.00 0.00 H new ATOM 0 HA TRP A 43 -5.277 8.646 4.835 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.318 6.680 6.060 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -4.324 6.245 4.693 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.485 8.717 5.625 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.257 9.451 3.469 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.545 6.454 2.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.588 9.084 0.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.022 6.691 -0.181 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.065 7.986 -0.926 1.00 0.00 H new ATOM 605 N PHE A 44 -6.980 6.807 5.379 1.00 0.00 N ATOM 606 CA PHE A 44 -8.152 6.049 5.802 1.00 0.00 C ATOM 607 C PHE A 44 -8.650 5.146 4.677 1.00 0.00 C ATOM 608 O PHE A 44 -8.804 5.584 3.537 1.00 0.00 O ATOM 609 CB PHE A 44 -9.269 6.998 6.241 1.00 0.00 C ATOM 610 CG PHE A 44 -8.859 7.940 7.337 1.00 0.00 C ATOM 611 CD1 PHE A 44 -8.127 9.081 7.051 1.00 0.00 C ATOM 612 CD2 PHE A 44 -9.206 7.684 8.654 1.00 0.00 C ATOM 613 CE1 PHE A 44 -7.748 9.948 8.058 1.00 0.00 C ATOM 614 CE2 PHE A 44 -8.830 8.548 9.665 1.00 0.00 C ATOM 615 CZ PHE A 44 -8.101 9.682 9.367 1.00 0.00 C ATOM 0 H PHE A 44 -6.901 6.934 4.370 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.864 5.423 6.647 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.602 7.578 5.380 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -10.123 6.410 6.578 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -7.849 9.295 6.029 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.777 6.799 8.893 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.176 10.833 7.822 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.106 8.336 10.687 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.807 10.359 10.155 1.00 0.00 H new ATOM 625 N ARG A 45 -8.899 3.883 5.008 1.00 0.00 N ATOM 626 CA ARG A 45 -9.378 2.917 4.026 1.00 0.00 C ATOM 627 C ARG A 45 -10.894 2.761 4.111 1.00 0.00 C ATOM 628 O ARG A 45 -11.422 2.258 5.101 1.00 0.00 O ATOM 629 CB ARG A 45 -8.703 1.561 4.242 1.00 0.00 C ATOM 630 CG ARG A 45 -8.893 0.594 3.085 1.00 0.00 C ATOM 631 CD ARG A 45 -8.829 -0.852 3.551 1.00 0.00 C ATOM 632 NE ARG A 45 -9.582 -1.064 4.784 1.00 0.00 N ATOM 633 CZ ARG A 45 -10.906 -1.166 4.828 1.00 0.00 C ATOM 634 NH1 ARG A 45 -11.619 -1.076 3.713 1.00 0.00 N ATOM 635 NH2 ARG A 45 -11.520 -1.359 5.988 1.00 0.00 N ATOM 0 H ARG A 45 -8.777 3.505 5.948 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.123 3.289 3.034 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.636 1.717 4.402 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.099 1.108 5.151 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.855 0.781 2.607 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.124 0.769 2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.223 -1.502 2.770 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.789 -1.136 3.708 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.063 -1.138 5.659 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.151 -0.928 2.819 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.635 -1.155 3.750 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.976 -1.429 6.848 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.536 -1.437 6.020 1.00 0.00 H new ATOM 649 N GLY A 46 -11.588 3.198 3.064 1.00 0.00 N ATOM 650 CA GLY A 46 -13.035 3.099 3.040 1.00 0.00 C ATOM 651 C GLY A 46 -13.712 4.415 3.371 1.00 0.00 C ATOM 652 O GLY A 46 -14.770 4.435 3.999 1.00 0.00 O ATOM 0 H GLY A 46 -11.173 3.619 2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.357 2.766 2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.356 2.339 3.753 1.00 0.00 H new ATOM 656 N ALA A 47 -13.099 5.516 2.950 1.00 0.00 N ATOM 657 CA ALA A 47 -13.649 6.841 3.205 1.00 0.00 C ATOM 658 C ALA A 47 -15.160 6.857 3.003 1.00 0.00 C ATOM 659 O ALA A 47 -15.680 6.223 2.086 1.00 0.00 O ATOM 660 CB ALA A 47 -12.983 7.871 2.304 1.00 0.00 C ATOM 0 H ALA A 47 -12.221 5.516 2.431 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.446 7.098 4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.403 8.856 2.505 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.911 7.887 2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.157 7.608 1.261 1.00 0.00 H new ATOM 690 N ARG A 51 -14.598 4.636 6.965 1.00 0.00 N ATOM 691 CA ARG A 51 -13.202 5.055 6.939 1.00 0.00 C ATOM 692 C ARG A 51 -12.428 4.439 8.102 1.00 0.00 C ATOM 693 O ARG A 51 -12.770 4.645 9.265 1.00 0.00 O ATOM 694 CB ARG A 51 -13.103 6.580 6.999 1.00 0.00 C ATOM 695 CG ARG A 51 -13.562 7.169 8.323 1.00 0.00 C ATOM 696 CD ARG A 51 -13.661 8.685 8.255 1.00 0.00 C ATOM 697 NE ARG A 51 -14.292 9.246 9.446 1.00 0.00 N ATOM 698 CZ ARG A 51 -14.195 10.524 9.796 1.00 0.00 C ATOM 699 NH1 ARG A 51 -13.497 11.368 9.049 1.00 0.00 N ATOM 700 NH2 ARG A 51 -14.797 10.960 10.895 1.00 0.00 N ATOM 0 HA ARG A 51 -12.762 4.706 6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.070 6.876 6.818 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.702 7.006 6.194 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -14.533 6.752 8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.864 6.884 9.110 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.663 9.109 8.140 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.233 8.972 7.373 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.837 8.623 10.042 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.033 11.037 8.203 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.424 12.349 9.320 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.335 10.314 11.472 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.722 11.941 11.163 1.00 0.00 H new ATOM 714 N GLU A 52 -11.385 3.681 7.776 1.00 0.00 N ATOM 715 CA GLU A 52 -10.565 3.034 8.794 1.00 0.00 C ATOM 716 C GLU A 52 -9.165 3.640 8.830 1.00 0.00 C ATOM 717 O GLU A 52 -8.302 3.288 8.024 1.00 0.00 O ATOM 718 CB GLU A 52 -10.475 1.530 8.527 1.00 0.00 C ATOM 719 CG GLU A 52 -9.583 0.790 9.510 1.00 0.00 C ATOM 720 CD GLU A 52 -9.947 -0.676 9.639 1.00 0.00 C ATOM 721 OE1 GLU A 52 -9.714 -1.431 8.671 1.00 0.00 O ATOM 722 OE2 GLU A 52 -10.464 -1.068 10.705 1.00 0.00 O ATOM 0 H GLU A 52 -11.089 3.500 6.817 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.038 3.196 9.763 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.477 1.102 8.565 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.099 1.371 7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.545 0.876 9.188 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.654 1.266 10.488 1.00 0.00 H new ATOM 729 N LEU A 53 -8.946 4.553 9.769 1.00 0.00 N ATOM 730 CA LEU A 53 -7.651 5.210 9.912 1.00 0.00 C ATOM 731 C LEU A 53 -6.513 4.237 9.623 1.00 0.00 C ATOM 732 O LEU A 53 -6.437 3.161 10.217 1.00 0.00 O ATOM 733 CB LEU A 53 -7.501 5.784 11.321 1.00 0.00 C ATOM 734 CG LEU A 53 -6.185 6.505 11.616 1.00 0.00 C ATOM 735 CD1 LEU A 53 -6.068 7.768 10.777 1.00 0.00 C ATOM 736 CD2 LEU A 53 -6.077 6.834 13.097 1.00 0.00 C ATOM 0 H LEU A 53 -9.649 4.856 10.444 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.602 6.024 9.188 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.321 6.480 11.497 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.615 4.970 12.037 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.362 5.841 11.351 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.125 8.267 11.001 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.098 7.506 9.719 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.897 8.437 11.009 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.134 7.347 13.288 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.906 7.479 13.388 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.113 5.912 13.678 1.00 0.00 H new ATOM 748 N ILE A 54 -5.629 4.623 8.709 1.00 0.00 N ATOM 749 CA ILE A 54 -4.492 3.786 8.345 1.00 0.00 C ATOM 750 C ILE A 54 -3.200 4.317 8.955 1.00 0.00 C ATOM 751 O ILE A 54 -2.379 3.551 9.461 1.00 0.00 O ATOM 752 CB ILE A 54 -4.326 3.697 6.816 1.00 0.00 C ATOM 753 CG1 ILE A 54 -5.598 3.137 6.175 1.00 0.00 C ATOM 754 CG2 ILE A 54 -3.124 2.833 6.464 1.00 0.00 C ATOM 755 CD1 ILE A 54 -5.835 1.675 6.480 1.00 0.00 C ATOM 0 H ILE A 54 -5.678 5.510 8.207 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.694 2.790 8.740 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.156 4.700 6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.455 3.715 6.521 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.539 3.270 5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.019 2.779 5.380 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.223 3.270 6.894 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.267 1.830 6.865 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.753 1.346 5.994 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.997 1.085 6.109 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.926 1.538 7.558 1.00 0.00 H new ATOM 767 N TYR A 55 -3.027 5.633 8.907 1.00 0.00 N ATOM 768 CA TYR A 55 -1.834 6.267 9.455 1.00 0.00 C ATOM 769 C TYR A 55 -2.096 7.735 9.777 1.00 0.00 C ATOM 770 O TYR A 55 -3.105 8.303 9.360 1.00 0.00 O ATOM 771 CB TYR A 55 -0.670 6.150 8.469 1.00 0.00 C ATOM 772 CG TYR A 55 0.528 6.995 8.843 1.00 0.00 C ATOM 773 CD1 TYR A 55 1.505 6.507 9.702 1.00 0.00 C ATOM 774 CD2 TYR A 55 0.681 8.280 8.338 1.00 0.00 C ATOM 775 CE1 TYR A 55 2.600 7.275 10.047 1.00 0.00 C ATOM 776 CE2 TYR A 55 1.774 9.054 8.676 1.00 0.00 C ATOM 777 CZ TYR A 55 2.731 8.547 9.531 1.00 0.00 C ATOM 778 OH TYR A 55 3.820 9.316 9.872 1.00 0.00 O ATOM 0 H TYR A 55 -3.698 6.281 8.494 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.572 5.752 10.379 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.362 5.106 8.405 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.014 6.442 7.477 1.00 0.00 H new ATOM 0 HD1 TYR A 55 1.407 5.511 10.107 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.067 8.681 7.670 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.350 6.881 10.717 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.879 10.051 8.273 1.00 0.00 H new ATOM 0 HH TYR A 55 3.761 10.185 9.422 1.00 0.00 H new ATOM 788 N ASN A 56 -1.179 8.344 10.522 1.00 0.00 N ATOM 789 CA ASN A 56 -1.311 9.746 10.901 1.00 0.00 C ATOM 790 C ASN A 56 0.054 10.426 10.953 1.00 0.00 C ATOM 791 O ASN A 56 1.059 9.796 11.282 1.00 0.00 O ATOM 792 CB ASN A 56 -2.005 9.866 12.259 1.00 0.00 C ATOM 793 CG ASN A 56 -1.863 11.251 12.860 1.00 0.00 C ATOM 794 OD1 ASN A 56 -0.760 11.788 12.958 1.00 0.00 O ATOM 795 ND2 ASN A 56 -2.984 11.837 13.267 1.00 0.00 N ATOM 0 H ASN A 56 -0.337 7.889 10.875 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.918 10.245 10.145 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.063 9.629 12.146 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.585 9.130 12.945 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.951 12.769 13.680 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.877 11.355 13.166 1.00 0.00 H new ATOM 802 N GLN A 57 0.081 11.714 10.627 1.00 0.00 N ATOM 803 CA GLN A 57 1.323 12.478 10.637 1.00 0.00 C ATOM 804 C GLN A 57 1.569 13.099 12.009 1.00 0.00 C ATOM 805 O GLN A 57 2.643 12.942 12.589 1.00 0.00 O ATOM 806 CB GLN A 57 1.281 13.572 9.569 1.00 0.00 C ATOM 807 CG GLN A 57 2.644 14.172 9.259 1.00 0.00 C ATOM 808 CD GLN A 57 2.560 15.349 8.308 1.00 0.00 C ATOM 809 OE1 GLN A 57 1.481 15.702 7.832 1.00 0.00 O ATOM 810 NE2 GLN A 57 3.702 15.965 8.026 1.00 0.00 N ATOM 0 H GLN A 57 -0.742 12.250 10.353 1.00 0.00 H new ATOM 0 HA GLN A 57 2.143 11.795 10.416 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.858 13.158 8.653 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.611 14.365 9.899 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.115 14.493 10.188 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.285 13.404 8.825 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.574 15.639 8.443 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.707 16.764 7.392 1.00 0.00 H new ATOM 819 N LYS A 58 0.567 13.805 12.521 1.00 0.00 N ATOM 820 CA LYS A 58 0.673 14.450 13.825 1.00 0.00 C ATOM 821 C LYS A 58 1.292 13.505 14.850 1.00 0.00 C ATOM 822 O LYS A 58 2.384 13.757 15.358 1.00 0.00 O ATOM 823 CB LYS A 58 -0.707 14.907 14.305 1.00 0.00 C ATOM 824 CG LYS A 58 -0.718 15.402 15.740 1.00 0.00 C ATOM 825 CD LYS A 58 -1.975 16.199 16.045 1.00 0.00 C ATOM 826 CE LYS A 58 -1.875 17.622 15.516 1.00 0.00 C ATOM 827 NZ LYS A 58 -3.198 18.305 15.507 1.00 0.00 N ATOM 0 H LYS A 58 -0.328 13.945 12.053 1.00 0.00 H new ATOM 0 HA LYS A 58 1.321 15.320 13.721 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.064 15.703 13.652 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.408 14.078 14.210 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.651 14.552 16.419 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.160 16.023 15.918 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.838 15.704 15.600 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.141 16.221 17.122 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.177 18.190 16.131 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.468 17.606 14.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.087 19.272 15.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.857 17.777 14.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.575 18.344 16.475 1.00 0.00 H new ATOM 841 N GLU A 59 0.588 12.418 15.147 1.00 0.00 N ATOM 842 CA GLU A 59 1.071 11.436 16.111 1.00 0.00 C ATOM 843 C GLU A 59 0.619 10.030 15.728 1.00 0.00 C ATOM 844 O GLU A 59 -0.060 9.837 14.721 1.00 0.00 O ATOM 845 CB GLU A 59 0.571 11.779 17.516 1.00 0.00 C ATOM 846 CG GLU A 59 -0.943 11.777 17.641 1.00 0.00 C ATOM 847 CD GLU A 59 -1.411 11.608 19.073 1.00 0.00 C ATOM 848 OE1 GLU A 59 -1.256 12.562 19.864 1.00 0.00 O ATOM 849 OE2 GLU A 59 -1.931 10.522 19.403 1.00 0.00 O ATOM 0 H GLU A 59 -0.318 12.195 14.735 1.00 0.00 H new ATOM 0 HA GLU A 59 2.161 11.463 16.104 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.987 11.063 18.225 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.949 12.762 17.797 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.338 12.711 17.242 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.353 10.972 17.032 1.00 0.00 H new ATOM 856 N GLY A 60 1.002 9.049 16.541 1.00 0.00 N ATOM 857 CA GLY A 60 0.629 7.673 16.271 1.00 0.00 C ATOM 858 C GLY A 60 1.821 6.809 15.912 1.00 0.00 C ATOM 859 O GLY A 60 2.520 7.077 14.935 1.00 0.00 O ATOM 0 H GLY A 60 1.564 9.183 17.382 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.133 7.256 17.147 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.092 7.649 15.454 1.00 0.00 H new ATOM 863 N HIS A 61 2.055 5.768 16.706 1.00 0.00 N ATOM 864 CA HIS A 61 3.173 4.861 16.467 1.00 0.00 C ATOM 865 C HIS A 61 2.869 3.918 15.307 1.00 0.00 C ATOM 866 O HIS A 61 2.184 2.909 15.477 1.00 0.00 O ATOM 867 CB HIS A 61 3.480 4.054 17.729 1.00 0.00 C ATOM 868 CG HIS A 61 4.369 2.874 17.483 1.00 0.00 C ATOM 869 ND1 HIS A 61 5.430 2.901 16.603 1.00 0.00 N ATOM 870 CD2 HIS A 61 4.350 1.627 18.009 1.00 0.00 C ATOM 871 CE1 HIS A 61 6.024 1.721 16.597 1.00 0.00 C ATOM 872 NE2 HIS A 61 5.389 0.930 17.442 1.00 0.00 N ATOM 0 H HIS A 61 1.486 5.532 17.519 1.00 0.00 H new ATOM 0 HA HIS A 61 4.046 5.460 16.206 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.952 4.708 18.463 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.543 3.708 18.166 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.649 1.250 18.739 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.883 1.449 16.002 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.631 -0.041 17.641 1.00 0.00 H new ATOM 881 N PHE A 62 3.382 4.254 14.128 1.00 0.00 N ATOM 882 CA PHE A 62 3.164 3.439 12.939 1.00 0.00 C ATOM 883 C PHE A 62 4.492 2.975 12.346 1.00 0.00 C ATOM 884 O PHE A 62 5.080 3.633 11.488 1.00 0.00 O ATOM 885 CB PHE A 62 2.373 4.226 11.892 1.00 0.00 C ATOM 886 CG PHE A 62 0.985 4.588 12.338 1.00 0.00 C ATOM 887 CD1 PHE A 62 -0.037 3.652 12.296 1.00 0.00 C ATOM 888 CD2 PHE A 62 0.701 5.863 12.799 1.00 0.00 C ATOM 889 CE1 PHE A 62 -1.315 3.983 12.705 1.00 0.00 C ATOM 890 CE2 PHE A 62 -0.575 6.200 13.209 1.00 0.00 C ATOM 891 CZ PHE A 62 -1.584 5.258 13.163 1.00 0.00 C ATOM 0 H PHE A 62 3.952 5.085 13.971 1.00 0.00 H new ATOM 0 HA PHE A 62 2.590 2.560 13.233 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.917 5.138 11.647 1.00 0.00 H new ATOM 0 HB3 PHE A 62 2.310 3.637 10.977 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.168 2.653 11.940 1.00 0.00 H new ATOM 0 HD2 PHE A 62 1.487 6.603 12.839 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.103 3.245 12.667 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.783 7.198 13.565 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.582 5.518 13.485 1.00 0.00 H new ATOM 901 N PRO A 63 4.976 1.816 12.816 1.00 0.00 N ATOM 902 CA PRO A 63 6.239 1.238 12.347 1.00 0.00 C ATOM 903 C PRO A 63 6.147 0.732 10.911 1.00 0.00 C ATOM 904 O PRO A 63 7.000 1.041 10.079 1.00 0.00 O ATOM 905 CB PRO A 63 6.475 0.072 13.311 1.00 0.00 C ATOM 906 CG PRO A 63 5.116 -0.300 13.795 1.00 0.00 C ATOM 907 CD PRO A 63 4.327 0.979 13.839 1.00 0.00 C ATOM 0 HA PRO A 63 7.045 1.972 12.339 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.959 -0.765 12.809 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.123 0.366 14.137 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.649 -1.024 13.127 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.166 -0.762 14.781 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.275 0.810 13.611 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.369 1.443 14.824 1.00 0.00 H new ATOM 915 N ARG A 64 5.108 -0.047 10.628 1.00 0.00 N ATOM 916 CA ARG A 64 4.907 -0.597 9.293 1.00 0.00 C ATOM 917 C ARG A 64 5.001 0.499 8.235 1.00 0.00 C ATOM 918 O ARG A 64 5.682 0.340 7.221 1.00 0.00 O ATOM 919 CB ARG A 64 3.546 -1.290 9.204 1.00 0.00 C ATOM 920 CG ARG A 64 2.521 -0.750 10.188 1.00 0.00 C ATOM 921 CD ARG A 64 2.446 -1.607 11.441 1.00 0.00 C ATOM 922 NE ARG A 64 1.755 -2.871 11.199 1.00 0.00 N ATOM 923 CZ ARG A 64 1.147 -3.570 12.151 1.00 0.00 C ATOM 924 NH1 ARG A 64 1.144 -3.130 13.402 1.00 0.00 N ATOM 925 NH2 ARG A 64 0.540 -4.712 11.853 1.00 0.00 N ATOM 0 H ARG A 64 4.393 -0.311 11.305 1.00 0.00 H new ATOM 0 HA ARG A 64 5.693 -1.329 9.106 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.158 -1.180 8.191 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.679 -2.357 9.381 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.781 0.273 10.461 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.541 -0.714 9.711 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.454 -1.809 11.803 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.929 -1.056 12.227 1.00 0.00 H new ATOM 0 HE ARG A 64 1.738 -3.237 10.247 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.609 -2.253 13.635 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.676 -3.669 14.131 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.540 -5.054 10.892 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.074 -5.248 12.585 1.00 0.00 H new ATOM 939 N VAL A 65 4.313 1.610 8.477 1.00 0.00 N ATOM 940 CA VAL A 65 4.319 2.731 7.546 1.00 0.00 C ATOM 941 C VAL A 65 5.656 3.464 7.577 1.00 0.00 C ATOM 942 O VAL A 65 6.058 4.002 8.610 1.00 0.00 O ATOM 943 CB VAL A 65 3.191 3.731 7.863 1.00 0.00 C ATOM 944 CG1 VAL A 65 3.072 4.770 6.759 1.00 0.00 C ATOM 945 CG2 VAL A 65 1.872 2.999 8.062 1.00 0.00 C ATOM 0 H VAL A 65 3.744 1.757 9.311 1.00 0.00 H new ATOM 0 HA VAL A 65 4.158 2.316 6.551 1.00 0.00 H new ATOM 0 HB VAL A 65 3.437 4.248 8.790 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.270 5.468 7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.012 5.315 6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.849 4.274 5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.086 3.720 8.285 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.617 2.454 7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.967 2.297 8.891 1.00 0.00 H new ATOM 955 N THR A 66 6.342 3.483 6.439 1.00 0.00 N ATOM 956 CA THR A 66 7.634 4.149 6.335 1.00 0.00 C ATOM 957 C THR A 66 7.568 5.329 5.373 1.00 0.00 C ATOM 958 O THR A 66 7.638 5.156 4.155 1.00 0.00 O ATOM 959 CB THR A 66 8.731 3.176 5.863 1.00 0.00 C ATOM 960 OG1 THR A 66 8.998 2.207 6.882 1.00 0.00 O ATOM 961 CG2 THR A 66 10.009 3.927 5.522 1.00 0.00 C ATOM 0 H THR A 66 6.024 3.044 5.575 1.00 0.00 H new ATOM 0 HA THR A 66 7.885 4.511 7.332 1.00 0.00 H new ATOM 0 HB THR A 66 8.376 2.669 4.966 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.695 1.591 6.573 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.769 3.220 5.191 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.809 4.643 4.725 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.366 4.457 6.405 1.00 0.00 H new ATOM 969 N THR A 67 7.435 6.531 5.926 1.00 0.00 N ATOM 970 CA THR A 67 7.359 7.740 5.116 1.00 0.00 C ATOM 971 C THR A 67 8.292 7.656 3.914 1.00 0.00 C ATOM 972 O THR A 67 9.508 7.537 4.065 1.00 0.00 O ATOM 973 CB THR A 67 7.716 8.992 5.941 1.00 0.00 C ATOM 974 OG1 THR A 67 9.042 8.871 6.466 1.00 0.00 O ATOM 975 CG2 THR A 67 6.729 9.186 7.083 1.00 0.00 C ATOM 0 H THR A 67 7.378 6.693 6.931 1.00 0.00 H new ATOM 0 HA THR A 67 6.329 7.823 4.769 1.00 0.00 H new ATOM 0 HB THR A 67 7.664 9.860 5.284 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.604 8.387 5.826 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.001 10.075 7.652 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.724 9.307 6.679 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.754 8.315 7.738 1.00 0.00 H new ATOM 983 N VAL A 68 7.716 7.720 2.718 1.00 0.00 N ATOM 984 CA VAL A 68 8.497 7.653 1.488 1.00 0.00 C ATOM 985 C VAL A 68 9.310 8.926 1.283 1.00 0.00 C ATOM 986 O VAL A 68 10.477 8.873 0.897 1.00 0.00 O ATOM 987 CB VAL A 68 7.593 7.430 0.261 1.00 0.00 C ATOM 988 CG1 VAL A 68 8.413 7.462 -1.020 1.00 0.00 C ATOM 989 CG2 VAL A 68 6.837 6.117 0.387 1.00 0.00 C ATOM 0 H VAL A 68 6.711 7.818 2.574 1.00 0.00 H new ATOM 0 HA VAL A 68 9.175 6.806 1.589 1.00 0.00 H new ATOM 0 HB VAL A 68 6.864 8.239 0.218 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.757 7.303 -1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.903 8.431 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.167 6.675 -0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.204 5.976 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.547 5.293 0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.217 6.139 1.283 1.00 0.00 H new ATOM 999 N SER A 69 8.684 10.069 1.545 1.00 0.00 N ATOM 1000 CA SER A 69 9.349 11.357 1.386 1.00 0.00 C ATOM 1001 C SER A 69 9.694 11.962 2.743 1.00 0.00 C ATOM 1002 O SER A 69 9.154 11.553 3.771 1.00 0.00 O ATOM 1003 CB SER A 69 8.459 12.320 0.597 1.00 0.00 C ATOM 1004 OG SER A 69 9.109 13.563 0.392 1.00 0.00 O ATOM 0 H SER A 69 7.718 10.129 1.868 1.00 0.00 H new ATOM 0 HA SER A 69 10.275 11.194 0.835 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.202 11.877 -0.365 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.524 12.479 1.134 1.00 0.00 H new ATOM 0 HG SER A 69 9.059 13.806 -0.556 1.00 0.00 H new ATOM 1010 N GLU A 70 10.596 12.938 2.738 1.00 0.00 N ATOM 1011 CA GLU A 70 11.013 13.599 3.969 1.00 0.00 C ATOM 1012 C GLU A 70 10.040 14.712 4.346 1.00 0.00 C ATOM 1013 O GLU A 70 10.087 15.809 3.788 1.00 0.00 O ATOM 1014 CB GLU A 70 12.424 14.171 3.813 1.00 0.00 C ATOM 1015 CG GLU A 70 13.184 14.281 5.125 1.00 0.00 C ATOM 1016 CD GLU A 70 14.685 14.180 4.939 1.00 0.00 C ATOM 1017 OE1 GLU A 70 15.164 13.089 4.563 1.00 0.00 O ATOM 1018 OE2 GLU A 70 15.382 15.190 5.169 1.00 0.00 O ATOM 0 H GLU A 70 11.052 13.288 1.896 1.00 0.00 H new ATOM 0 HA GLU A 70 11.015 12.857 4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.989 13.540 3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.358 15.159 3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.944 15.232 5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.851 13.493 5.801 1.00 0.00 H new ATOM 1025 N LEU A 71 9.157 14.421 5.295 1.00 0.00 N ATOM 1026 CA LEU A 71 8.171 15.396 5.748 1.00 0.00 C ATOM 1027 C LEU A 71 8.820 16.457 6.631 1.00 0.00 C ATOM 1028 O LEU A 71 8.321 17.577 6.745 1.00 0.00 O ATOM 1029 CB LEU A 71 7.047 14.697 6.514 1.00 0.00 C ATOM 1030 CG LEU A 71 6.329 13.570 5.771 1.00 0.00 C ATOM 1031 CD1 LEU A 71 5.302 12.904 6.674 1.00 0.00 C ATOM 1032 CD2 LEU A 71 5.666 14.101 4.508 1.00 0.00 C ATOM 0 H LEU A 71 9.104 13.518 5.766 1.00 0.00 H new ATOM 0 HA LEU A 71 7.753 15.887 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.461 14.291 7.437 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.308 15.446 6.799 1.00 0.00 H new ATOM 0 HG LEU A 71 7.068 12.823 5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.801 12.105 6.128 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.802 12.488 7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.566 13.642 6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.160 13.285 3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.939 14.869 4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.424 14.530 3.852 1.00 0.00 H new ATOM 1118 N ASN A 76 6.861 20.464 1.933 1.00 0.00 N ATOM 1119 CA ASN A 76 6.836 19.433 0.902 1.00 0.00 C ATOM 1120 C ASN A 76 5.464 18.772 0.826 1.00 0.00 C ATOM 1121 O ASN A 76 5.017 18.134 1.780 1.00 0.00 O ATOM 1122 CB ASN A 76 7.909 18.378 1.180 1.00 0.00 C ATOM 1123 CG ASN A 76 7.557 17.493 2.359 1.00 0.00 C ATOM 1124 OD1 ASN A 76 7.141 17.978 3.412 1.00 0.00 O ATOM 1125 ND2 ASN A 76 7.723 16.186 2.189 1.00 0.00 N ATOM 0 HA ASN A 76 7.043 19.908 -0.057 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.045 17.760 0.293 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.861 18.873 1.372 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.503 15.541 2.948 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.070 15.827 1.299 1.00 0.00 H new ATOM 1132 N LEU A 77 4.800 18.928 -0.314 1.00 0.00 N ATOM 1133 CA LEU A 77 3.478 18.345 -0.515 1.00 0.00 C ATOM 1134 C LEU A 77 3.552 16.822 -0.541 1.00 0.00 C ATOM 1135 O LEU A 77 2.595 16.137 -0.179 1.00 0.00 O ATOM 1136 CB LEU A 77 2.865 18.859 -1.819 1.00 0.00 C ATOM 1137 CG LEU A 77 2.502 20.344 -1.849 1.00 0.00 C ATOM 1138 CD1 LEU A 77 1.304 20.619 -0.954 1.00 0.00 C ATOM 1139 CD2 LEU A 77 3.692 21.193 -1.427 1.00 0.00 C ATOM 0 H LEU A 77 5.155 19.453 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 77 2.845 18.645 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.566 18.660 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.965 18.281 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 77 2.235 20.612 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.060 21.681 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.449 20.039 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.542 20.334 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.415 22.247 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.991 20.923 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.524 21.019 -2.110 1.00 0.00 H new ATOM 1151 N ASP A 78 4.695 16.298 -0.970 1.00 0.00 N ATOM 1152 CA ASP A 78 4.897 14.855 -1.040 1.00 0.00 C ATOM 1153 C ASP A 78 4.507 14.187 0.275 1.00 0.00 C ATOM 1154 O ASP A 78 5.234 14.272 1.265 1.00 0.00 O ATOM 1155 CB ASP A 78 6.355 14.538 -1.375 1.00 0.00 C ATOM 1156 CG ASP A 78 6.536 13.124 -1.892 1.00 0.00 C ATOM 1157 OD1 ASP A 78 6.045 12.184 -1.232 1.00 0.00 O ATOM 1158 OD2 ASP A 78 7.169 12.957 -2.956 1.00 0.00 O ATOM 0 H ASP A 78 5.496 16.851 -1.275 1.00 0.00 H new ATOM 0 HA ASP A 78 4.257 14.462 -1.830 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.715 15.244 -2.123 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.968 14.677 -0.485 1.00 0.00 H new ATOM 1163 N PHE A 79 3.355 13.525 0.277 1.00 0.00 N ATOM 1164 CA PHE A 79 2.867 12.844 1.471 1.00 0.00 C ATOM 1165 C PHE A 79 2.669 11.355 1.206 1.00 0.00 C ATOM 1166 O PHE A 79 1.772 10.727 1.768 1.00 0.00 O ATOM 1167 CB PHE A 79 1.552 13.469 1.939 1.00 0.00 C ATOM 1168 CG PHE A 79 1.731 14.779 2.652 1.00 0.00 C ATOM 1169 CD1 PHE A 79 2.468 14.851 3.823 1.00 0.00 C ATOM 1170 CD2 PHE A 79 1.162 15.939 2.151 1.00 0.00 C ATOM 1171 CE1 PHE A 79 2.634 16.055 4.481 1.00 0.00 C ATOM 1172 CE2 PHE A 79 1.324 17.146 2.805 1.00 0.00 C ATOM 1173 CZ PHE A 79 2.062 17.204 3.971 1.00 0.00 C ATOM 0 H PHE A 79 2.742 13.445 -0.534 1.00 0.00 H new ATOM 0 HA PHE A 79 3.615 12.959 2.255 1.00 0.00 H new ATOM 0 HB2 PHE A 79 0.903 13.620 1.076 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.043 12.770 2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 79 2.918 13.956 4.226 1.00 0.00 H new ATOM 0 HD2 PHE A 79 0.585 15.900 1.239 1.00 0.00 H new ATOM 0 HE1 PHE A 79 3.211 16.097 5.393 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.874 18.043 2.405 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.192 18.146 4.483 1.00 0.00 H new ATOM 1183 N SER A 80 3.513 10.796 0.344 1.00 0.00 N ATOM 1184 CA SER A 80 3.429 9.382 -0.001 1.00 0.00 C ATOM 1185 C SER A 80 3.969 8.513 1.132 1.00 0.00 C ATOM 1186 O SER A 80 4.986 8.837 1.746 1.00 0.00 O ATOM 1187 CB SER A 80 4.207 9.101 -1.288 1.00 0.00 C ATOM 1188 OG SER A 80 4.267 7.711 -1.555 1.00 0.00 O ATOM 0 H SER A 80 4.263 11.301 -0.128 1.00 0.00 H new ATOM 0 HA SER A 80 2.379 9.134 -0.158 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.731 9.615 -2.124 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.217 9.502 -1.201 1.00 0.00 H new ATOM 0 HG SER A 80 4.768 7.558 -2.383 1.00 0.00 H new ATOM 1194 N ILE A 81 3.280 7.410 1.403 1.00 0.00 N ATOM 1195 CA ILE A 81 3.690 6.494 2.460 1.00 0.00 C ATOM 1196 C ILE A 81 3.848 5.074 1.927 1.00 0.00 C ATOM 1197 O ILE A 81 3.442 4.773 0.805 1.00 0.00 O ATOM 1198 CB ILE A 81 2.678 6.485 3.621 1.00 0.00 C ATOM 1199 CG1 ILE A 81 1.266 6.221 3.093 1.00 0.00 C ATOM 1200 CG2 ILE A 81 2.728 7.804 4.377 1.00 0.00 C ATOM 1201 CD1 ILE A 81 0.365 5.535 4.095 1.00 0.00 C ATOM 0 H ILE A 81 2.435 7.129 0.905 1.00 0.00 H new ATOM 0 HA ILE A 81 4.652 6.850 2.830 1.00 0.00 H new ATOM 0 HB ILE A 81 2.944 5.683 4.310 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.814 7.168 2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.332 5.607 2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.007 7.782 5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.729 7.955 4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.483 8.622 3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.619 5.380 3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.795 4.572 4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.269 6.158 4.984 1.00 0.00 H new ATOM 1213 N SER A 82 4.439 4.205 2.741 1.00 0.00 N ATOM 1214 CA SER A 82 4.653 2.816 2.351 1.00 0.00 C ATOM 1215 C SER A 82 4.318 1.871 3.501 1.00 0.00 C ATOM 1216 O SER A 82 5.014 1.840 4.516 1.00 0.00 O ATOM 1217 CB SER A 82 6.102 2.606 1.908 1.00 0.00 C ATOM 1218 OG SER A 82 7.008 3.003 2.923 1.00 0.00 O ATOM 0 H SER A 82 4.778 4.438 3.674 1.00 0.00 H new ATOM 0 HA SER A 82 3.990 2.593 1.516 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.262 1.556 1.663 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.295 3.178 1.000 1.00 0.00 H new ATOM 0 HG SER A 82 7.013 3.981 2.993 1.00 0.00 H new ATOM 1224 N ILE A 83 3.246 1.103 3.334 1.00 0.00 N ATOM 1225 CA ILE A 83 2.819 0.157 4.357 1.00 0.00 C ATOM 1226 C ILE A 83 3.484 -1.202 4.161 1.00 0.00 C ATOM 1227 O ILE A 83 3.153 -1.938 3.232 1.00 0.00 O ATOM 1228 CB ILE A 83 1.290 -0.027 4.350 1.00 0.00 C ATOM 1229 CG1 ILE A 83 0.591 1.327 4.482 1.00 0.00 C ATOM 1230 CG2 ILE A 83 0.864 -0.960 5.473 1.00 0.00 C ATOM 1231 CD1 ILE A 83 -0.883 1.282 4.146 1.00 0.00 C ATOM 0 H ILE A 83 2.658 1.118 2.501 1.00 0.00 H new ATOM 0 HA ILE A 83 3.123 0.573 5.318 1.00 0.00 H new ATOM 0 HB ILE A 83 0.997 -0.475 3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 83 0.712 1.691 5.502 1.00 0.00 H new ATOM 0 HG13 ILE A 83 1.083 2.046 3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.219 -1.080 5.455 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.339 -1.932 5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.166 -0.538 6.431 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.313 2.277 4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.011 0.948 3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.388 0.588 4.818 1.00 0.00 H new ATOM 1243 N SER A 84 4.422 -1.528 5.044 1.00 0.00 N ATOM 1244 CA SER A 84 5.136 -2.797 4.968 1.00 0.00 C ATOM 1245 C SER A 84 4.335 -3.912 5.634 1.00 0.00 C ATOM 1246 O SER A 84 3.480 -3.655 6.481 1.00 0.00 O ATOM 1247 CB SER A 84 6.509 -2.675 5.631 1.00 0.00 C ATOM 1248 OG SER A 84 7.364 -1.830 4.880 1.00 0.00 O ATOM 0 H SER A 84 4.705 -0.931 5.821 1.00 0.00 H new ATOM 0 HA SER A 84 5.270 -3.047 3.916 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.395 -2.279 6.640 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.960 -3.663 5.725 1.00 0.00 H new ATOM 0 HG SER A 84 8.235 -1.767 5.325 1.00 0.00 H new ATOM 1254 N ASN A 85 4.618 -5.150 5.244 1.00 0.00 N ATOM 1255 CA ASN A 85 3.924 -6.305 5.802 1.00 0.00 C ATOM 1256 C ASN A 85 2.440 -6.271 5.448 1.00 0.00 C ATOM 1257 O ASN A 85 1.581 -6.422 6.317 1.00 0.00 O ATOM 1258 CB ASN A 85 4.096 -6.344 7.321 1.00 0.00 C ATOM 1259 CG ASN A 85 3.439 -7.560 7.946 1.00 0.00 C ATOM 1260 OD1 ASN A 85 2.463 -7.440 8.686 1.00 0.00 O ATOM 1261 ND2 ASN A 85 3.974 -8.739 7.651 1.00 0.00 N ATOM 0 H ASN A 85 5.323 -5.380 4.544 1.00 0.00 H new ATOM 0 HA ASN A 85 4.362 -7.205 5.370 1.00 0.00 H new ATOM 0 HB2 ASN A 85 5.159 -6.343 7.564 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.669 -5.440 7.756 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.575 -9.592 8.043 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.783 -8.791 7.033 1.00 0.00 H new ATOM 1268 N ILE A 86 2.148 -6.073 4.167 1.00 0.00 N ATOM 1269 CA ILE A 86 0.768 -6.021 3.698 1.00 0.00 C ATOM 1270 C ILE A 86 0.028 -7.313 4.026 1.00 0.00 C ATOM 1271 O ILE A 86 0.629 -8.386 4.100 1.00 0.00 O ATOM 1272 CB ILE A 86 0.699 -5.774 2.179 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.099 -4.333 1.856 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.699 -6.071 1.658 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.057 -3.313 2.256 1.00 0.00 C ATOM 0 H ILE A 86 2.848 -5.946 3.436 1.00 0.00 H new ATOM 0 HA ILE A 86 0.289 -5.189 4.215 1.00 0.00 H new ATOM 0 HB ILE A 86 1.401 -6.445 1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.036 -4.102 2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.287 -4.248 0.786 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.732 -5.892 0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.949 -7.112 1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.419 -5.422 2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.408 -2.314 1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.875 -3.518 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.114 -3.370 3.331 1.00 0.00 H new ATOM 1287 N THR A 87 -1.283 -7.205 4.220 1.00 0.00 N ATOM 1288 CA THR A 87 -2.107 -8.364 4.539 1.00 0.00 C ATOM 1289 C THR A 87 -3.345 -8.419 3.651 1.00 0.00 C ATOM 1290 O THR A 87 -3.847 -7.399 3.180 1.00 0.00 O ATOM 1291 CB THR A 87 -2.548 -8.350 6.015 1.00 0.00 C ATOM 1292 OG1 THR A 87 -3.168 -7.098 6.329 1.00 0.00 O ATOM 1293 CG2 THR A 87 -1.360 -8.580 6.937 1.00 0.00 C ATOM 0 H THR A 87 -1.797 -6.326 4.162 1.00 0.00 H new ATOM 0 HA THR A 87 -1.494 -9.247 4.359 1.00 0.00 H new ATOM 0 HB THR A 87 -3.265 -9.157 6.165 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.447 -7.098 7.268 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.696 -8.566 7.974 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.909 -9.547 6.715 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.623 -7.792 6.784 1.00 0.00 H new ATOM 1301 N PRO A 88 -3.851 -9.639 3.416 1.00 0.00 N ATOM 1302 CA PRO A 88 -5.038 -9.857 2.583 1.00 0.00 C ATOM 1303 C PRO A 88 -6.313 -9.349 3.248 1.00 0.00 C ATOM 1304 O PRO A 88 -7.397 -9.427 2.671 1.00 0.00 O ATOM 1305 CB PRO A 88 -5.086 -11.379 2.426 1.00 0.00 C ATOM 1306 CG PRO A 88 -4.373 -11.906 3.623 1.00 0.00 C ATOM 1307 CD PRO A 88 -3.303 -10.900 3.945 1.00 0.00 C ATOM 0 HA PRO A 88 -4.977 -9.319 1.637 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.113 -11.741 2.386 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.600 -11.697 1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.058 -12.029 4.462 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.939 -12.885 3.419 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.118 -10.839 5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.355 -11.156 3.472 1.00 0.00 H new ATOM 1315 N ALA A 89 -6.174 -8.829 4.463 1.00 0.00 N ATOM 1316 CA ALA A 89 -7.315 -8.306 5.204 1.00 0.00 C ATOM 1317 C ALA A 89 -7.251 -6.786 5.310 1.00 0.00 C ATOM 1318 O ALA A 89 -8.102 -6.162 5.945 1.00 0.00 O ATOM 1319 CB ALA A 89 -7.376 -8.931 6.589 1.00 0.00 C ATOM 0 H ALA A 89 -5.283 -8.759 4.955 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.222 -8.568 4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.233 -8.531 7.131 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.478 -10.012 6.496 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.461 -8.698 7.134 1.00 0.00 H new ATOM 1325 N ASP A 90 -6.237 -6.196 4.686 1.00 0.00 N ATOM 1326 CA ASP A 90 -6.062 -4.749 4.711 1.00 0.00 C ATOM 1327 C ASP A 90 -6.424 -4.135 3.362 1.00 0.00 C ATOM 1328 O ASP A 90 -6.512 -2.915 3.228 1.00 0.00 O ATOM 1329 CB ASP A 90 -4.620 -4.394 5.076 1.00 0.00 C ATOM 1330 CG ASP A 90 -4.415 -4.268 6.573 1.00 0.00 C ATOM 1331 OD1 ASP A 90 -5.167 -4.917 7.330 1.00 0.00 O ATOM 1332 OD2 ASP A 90 -3.505 -3.521 6.987 1.00 0.00 O ATOM 0 H ASP A 90 -5.524 -6.698 4.157 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.731 -4.340 5.468 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.950 -5.159 4.684 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.347 -3.455 4.595 1.00 0.00 H new ATOM 1337 N ALA A 91 -6.631 -4.989 2.365 1.00 0.00 N ATOM 1338 CA ALA A 91 -6.985 -4.531 1.027 1.00 0.00 C ATOM 1339 C ALA A 91 -8.248 -3.678 1.055 1.00 0.00 C ATOM 1340 O ALA A 91 -8.921 -3.580 2.080 1.00 0.00 O ATOM 1341 CB ALA A 91 -7.167 -5.718 0.094 1.00 0.00 C ATOM 0 H ALA A 91 -6.560 -6.002 2.459 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.169 -3.912 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.431 -5.361 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.238 -6.285 0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.963 -6.360 0.472 1.00 0.00 H new ATOM 1347 N GLY A 92 -8.565 -3.061 -0.079 1.00 0.00 N ATOM 1348 CA GLY A 92 -9.747 -2.223 -0.163 1.00 0.00 C ATOM 1349 C GLY A 92 -9.511 -0.966 -0.976 1.00 0.00 C ATOM 1350 O GLY A 92 -9.356 -1.026 -2.197 1.00 0.00 O ATOM 0 H GLY A 92 -8.024 -3.126 -0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.562 -2.793 -0.610 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.065 -1.947 0.842 1.00 0.00 H new ATOM 1354 N THR A 93 -9.485 0.179 -0.301 1.00 0.00 N ATOM 1355 CA THR A 93 -9.269 1.456 -0.968 1.00 0.00 C ATOM 1356 C THR A 93 -8.818 2.524 0.021 1.00 0.00 C ATOM 1357 O THR A 93 -9.585 2.944 0.888 1.00 0.00 O ATOM 1358 CB THR A 93 -10.546 1.939 -1.682 1.00 0.00 C ATOM 1359 OG1 THR A 93 -11.138 0.858 -2.411 1.00 0.00 O ATOM 1360 CG2 THR A 93 -10.233 3.086 -2.632 1.00 0.00 C ATOM 0 H THR A 93 -9.611 0.247 0.709 1.00 0.00 H new ATOM 0 HA THR A 93 -8.485 1.297 -1.709 1.00 0.00 H new ATOM 0 HB THR A 93 -11.247 2.294 -0.926 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.440 0.226 -2.683 1.00 0.00 H new ATOM 0 HG21 THR A 93 -11.149 3.411 -3.125 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.809 3.918 -2.070 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.516 2.752 -3.382 1.00 0.00 H new ATOM 1368 N TYR A 94 -7.571 2.961 -0.114 1.00 0.00 N ATOM 1369 CA TYR A 94 -7.018 3.980 0.769 1.00 0.00 C ATOM 1370 C TYR A 94 -7.243 5.376 0.199 1.00 0.00 C ATOM 1371 O TYR A 94 -6.809 5.683 -0.912 1.00 0.00 O ATOM 1372 CB TYR A 94 -5.522 3.740 0.985 1.00 0.00 C ATOM 1373 CG TYR A 94 -5.213 2.437 1.687 1.00 0.00 C ATOM 1374 CD1 TYR A 94 -5.584 1.220 1.129 1.00 0.00 C ATOM 1375 CD2 TYR A 94 -4.551 2.422 2.908 1.00 0.00 C ATOM 1376 CE1 TYR A 94 -5.305 0.026 1.766 1.00 0.00 C ATOM 1377 CE2 TYR A 94 -4.266 1.234 3.552 1.00 0.00 C ATOM 1378 CZ TYR A 94 -4.645 0.039 2.977 1.00 0.00 C ATOM 1379 OH TYR A 94 -4.364 -1.147 3.616 1.00 0.00 O ATOM 0 H TYR A 94 -6.924 2.625 -0.827 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.533 3.912 1.727 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.018 3.751 0.019 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.111 4.564 1.569 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.100 1.207 0.180 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.254 3.356 3.362 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.602 -0.911 1.319 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.749 1.241 4.500 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.108 -1.772 3.488 1.00 0.00 H new ATOM 1389 N TYR A 95 -7.924 6.219 0.967 1.00 0.00 N ATOM 1390 CA TYR A 95 -8.209 7.584 0.539 1.00 0.00 C ATOM 1391 C TYR A 95 -7.414 8.591 1.364 1.00 0.00 C ATOM 1392 O TYR A 95 -7.635 8.739 2.566 1.00 0.00 O ATOM 1393 CB TYR A 95 -9.706 7.876 0.660 1.00 0.00 C ATOM 1394 CG TYR A 95 -10.578 6.893 -0.088 1.00 0.00 C ATOM 1395 CD1 TYR A 95 -10.933 5.676 0.481 1.00 0.00 C ATOM 1396 CD2 TYR A 95 -11.047 7.182 -1.363 1.00 0.00 C ATOM 1397 CE1 TYR A 95 -11.729 4.775 -0.200 1.00 0.00 C ATOM 1398 CE2 TYR A 95 -11.844 6.287 -2.051 1.00 0.00 C ATOM 1399 CZ TYR A 95 -12.182 5.085 -1.465 1.00 0.00 C ATOM 1400 OH TYR A 95 -12.976 4.191 -2.146 1.00 0.00 O ATOM 0 H TYR A 95 -8.289 5.981 1.889 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.910 7.681 -0.505 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -9.985 7.868 1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -9.903 8.881 0.286 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.581 5.430 1.472 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.784 8.122 -1.825 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -11.995 3.833 0.256 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.200 6.527 -3.042 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.210 4.563 -3.022 1.00 0.00 H new ATOM 1410 N CYS A 96 -6.488 9.282 0.708 1.00 0.00 N ATOM 1411 CA CYS A 96 -5.658 10.277 1.378 1.00 0.00 C ATOM 1412 C CYS A 96 -6.502 11.453 1.861 1.00 0.00 C ATOM 1413 O CYS A 96 -6.944 12.282 1.066 1.00 0.00 O ATOM 1414 CB CYS A 96 -4.562 10.775 0.435 1.00 0.00 C ATOM 1415 SG CYS A 96 -3.033 11.291 1.280 1.00 0.00 S ATOM 0 H CYS A 96 -6.293 9.171 -0.287 1.00 0.00 H new ATOM 0 HA CYS A 96 -5.195 9.804 2.245 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -4.322 9.984 -0.276 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.948 11.616 -0.141 1.00 0.00 H new ATOM 1420 N VAL A 97 -6.722 11.518 3.170 1.00 0.00 N ATOM 1421 CA VAL A 97 -7.512 12.592 3.760 1.00 0.00 C ATOM 1422 C VAL A 97 -6.620 13.738 4.225 1.00 0.00 C ATOM 1423 O VAL A 97 -5.688 13.538 5.004 1.00 0.00 O ATOM 1424 CB VAL A 97 -8.343 12.087 4.954 1.00 0.00 C ATOM 1425 CG1 VAL A 97 -9.088 13.239 5.612 1.00 0.00 C ATOM 1426 CG2 VAL A 97 -9.311 11.002 4.508 1.00 0.00 C ATOM 0 H VAL A 97 -6.364 10.839 3.842 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.187 12.952 2.983 1.00 0.00 H new ATOM 0 HB VAL A 97 -7.664 11.657 5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.670 12.863 6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.372 13.979 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.757 13.701 4.886 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.890 10.657 5.364 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -9.986 11.404 3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.752 10.166 4.087 1.00 0.00 H new ATOM 1436 N LYS A 98 -6.912 14.941 3.741 1.00 0.00 N ATOM 1437 CA LYS A 98 -6.139 16.122 4.107 1.00 0.00 C ATOM 1438 C LYS A 98 -6.806 16.876 5.252 1.00 0.00 C ATOM 1439 O LYS A 98 -7.572 17.814 5.028 1.00 0.00 O ATOM 1440 CB LYS A 98 -5.978 17.046 2.898 1.00 0.00 C ATOM 1441 CG LYS A 98 -5.329 18.378 3.233 1.00 0.00 C ATOM 1442 CD LYS A 98 -3.883 18.200 3.666 1.00 0.00 C ATOM 1443 CE LYS A 98 -3.459 19.280 4.650 1.00 0.00 C ATOM 1444 NZ LYS A 98 -2.932 20.487 3.956 1.00 0.00 N ATOM 0 H LYS A 98 -7.679 15.124 3.094 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.154 15.793 4.438 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.379 16.539 2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.958 17.229 2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.371 19.033 2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.891 18.868 4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.757 17.219 4.124 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.234 18.228 2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.310 19.561 5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.695 18.883 5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.175 20.913 4.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.552 20.215 3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.700 21.177 3.828 1.00 0.00 H new ATOM 1458 N PHE A 99 -6.510 16.462 6.480 1.00 0.00 N ATOM 1459 CA PHE A 99 -7.082 17.100 7.660 1.00 0.00 C ATOM 1460 C PHE A 99 -6.590 18.538 7.794 1.00 0.00 C ATOM 1461 O PHE A 99 -5.426 18.835 7.523 1.00 0.00 O ATOM 1462 CB PHE A 99 -6.722 16.307 8.919 1.00 0.00 C ATOM 1463 CG PHE A 99 -7.729 15.250 9.270 1.00 0.00 C ATOM 1464 CD1 PHE A 99 -7.727 14.028 8.617 1.00 0.00 C ATOM 1465 CD2 PHE A 99 -8.679 15.478 10.253 1.00 0.00 C ATOM 1466 CE1 PHE A 99 -8.652 13.053 8.937 1.00 0.00 C ATOM 1467 CE2 PHE A 99 -9.606 14.507 10.578 1.00 0.00 C ATOM 1468 CZ PHE A 99 -9.594 13.293 9.919 1.00 0.00 C ATOM 0 H PHE A 99 -5.878 15.688 6.684 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.166 17.115 7.545 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.749 15.837 8.777 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.624 16.997 9.757 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.993 13.835 7.848 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.695 16.426 10.771 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.639 12.105 8.420 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.340 14.697 11.347 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.319 12.533 10.171 1.00 0.00 H new ATOM 1478 N ARG A 100 -7.485 19.427 8.211 1.00 0.00 N ATOM 1479 CA ARG A 100 -7.144 20.835 8.379 1.00 0.00 C ATOM 1480 C ARG A 100 -7.002 21.187 9.857 1.00 0.00 C ATOM 1481 O ARG A 100 -7.818 20.780 10.684 1.00 0.00 O ATOM 1482 CB ARG A 100 -8.210 21.720 7.732 1.00 0.00 C ATOM 1483 CG ARG A 100 -9.431 21.943 8.609 1.00 0.00 C ATOM 1484 CD ARG A 100 -10.560 22.605 7.835 1.00 0.00 C ATOM 1485 NE ARG A 100 -11.685 22.955 8.698 1.00 0.00 N ATOM 1486 CZ ARG A 100 -12.792 23.544 8.261 1.00 0.00 C ATOM 1487 NH1 ARG A 100 -12.922 23.847 6.977 1.00 0.00 N ATOM 1488 NH2 ARG A 100 -13.772 23.831 9.108 1.00 0.00 N ATOM 0 H ARG A 100 -8.452 19.197 8.439 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.187 21.013 7.888 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -7.768 22.686 7.487 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -8.526 21.266 6.793 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.773 20.988 9.008 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -9.159 22.565 9.462 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -10.185 23.504 7.346 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.902 21.933 7.048 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.617 22.735 9.692 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -12.171 23.628 6.323 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -13.773 24.299 6.643 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -13.676 23.599 10.097 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -14.622 24.283 8.771 1.00 0.00 H new ATOM 1502 N LYS A 101 -5.961 21.947 10.181 1.00 0.00 N ATOM 1503 CA LYS A 101 -5.712 22.356 11.558 1.00 0.00 C ATOM 1504 C LYS A 101 -6.860 23.208 12.089 1.00 0.00 C ATOM 1505 O LYS A 101 -7.034 24.356 11.681 1.00 0.00 O ATOM 1506 CB LYS A 101 -4.398 23.136 11.650 1.00 0.00 C ATOM 1507 CG LYS A 101 -3.724 23.035 13.007 1.00 0.00 C ATOM 1508 CD LYS A 101 -2.372 23.727 13.011 1.00 0.00 C ATOM 1509 CE LYS A 101 -1.875 23.973 14.428 1.00 0.00 C ATOM 1510 NZ LYS A 101 -0.545 24.643 14.441 1.00 0.00 N ATOM 0 H LYS A 101 -5.276 22.292 9.508 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.638 21.457 12.170 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.713 22.769 10.885 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.592 24.185 11.427 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.365 23.482 13.767 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.598 21.986 13.274 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.648 23.116 12.471 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.447 24.676 12.481 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.597 24.589 14.964 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.809 23.024 14.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.241 24.793 15.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.150 24.044 13.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.614 25.561 13.956 1.00 0.00 H new ATOM 1524 N GLY A 102 -7.640 22.639 13.003 1.00 0.00 N ATOM 1525 CA GLY A 102 -8.761 23.362 13.575 1.00 0.00 C ATOM 1526 C GLY A 102 -9.023 22.977 15.018 1.00 0.00 C ATOM 1527 O GLY A 102 -8.378 22.075 15.554 1.00 0.00 O ATOM 0 H GLY A 102 -7.516 21.691 13.357 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.566 24.433 13.517 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.655 23.168 12.982 1.00 0.00 H new ATOM 1531 N SER A 103 -9.971 23.662 15.649 1.00 0.00 N ATOM 1532 CA SER A 103 -10.314 23.390 17.040 1.00 0.00 C ATOM 1533 C SER A 103 -11.772 22.960 17.167 1.00 0.00 C ATOM 1534 O SER A 103 -12.617 23.286 16.332 1.00 0.00 O ATOM 1535 CB SER A 103 -10.059 24.629 17.901 1.00 0.00 C ATOM 1536 OG SER A 103 -8.697 24.711 18.286 1.00 0.00 O ATOM 0 H SER A 103 -10.515 24.410 15.219 1.00 0.00 H new ATOM 0 HA SER A 103 -9.682 22.575 17.391 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.338 25.525 17.346 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.690 24.595 18.789 1.00 0.00 H new ATOM 0 HG SER A 103 -8.560 25.512 18.834 1.00 0.00 H new ATOM 1542 N PRO A 104 -12.076 22.210 18.236 1.00 0.00 N ATOM 1543 CA PRO A 104 -11.078 21.816 19.235 1.00 0.00 C ATOM 1544 C PRO A 104 -10.077 20.804 18.688 1.00 0.00 C ATOM 1545 O PRO A 104 -9.167 20.372 19.395 1.00 0.00 O ATOM 1546 CB PRO A 104 -11.920 21.186 20.348 1.00 0.00 C ATOM 1547 CG PRO A 104 -13.156 20.711 19.665 1.00 0.00 C ATOM 1548 CD PRO A 104 -13.416 21.688 18.552 1.00 0.00 C ATOM 0 HA PRO A 104 -10.475 22.662 19.564 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -11.391 20.362 20.827 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -12.152 21.911 21.128 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -13.023 19.702 19.275 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -13.996 20.677 20.358 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.872 21.202 17.689 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -14.093 22.483 18.865 1.00 0.00 H new ATOM 1556 N ASP A 105 -10.251 20.431 17.425 1.00 0.00 N ATOM 1557 CA ASP A 105 -9.362 19.471 16.781 1.00 0.00 C ATOM 1558 C ASP A 105 -9.455 19.577 15.262 1.00 0.00 C ATOM 1559 O ASP A 105 -10.379 20.191 14.729 1.00 0.00 O ATOM 1560 CB ASP A 105 -9.703 18.049 17.228 1.00 0.00 C ATOM 1561 CG ASP A 105 -8.492 17.136 17.230 1.00 0.00 C ATOM 1562 OD1 ASP A 105 -7.382 17.625 17.524 1.00 0.00 O ATOM 1563 OD2 ASP A 105 -8.655 15.933 16.936 1.00 0.00 O ATOM 0 H ASP A 105 -11.000 20.779 16.826 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.340 19.702 17.080 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -10.133 18.079 18.229 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -10.464 17.636 16.566 1.00 0.00 H new ATOM 1568 N ASP A 106 -8.492 18.976 14.573 1.00 0.00 N ATOM 1569 CA ASP A 106 -8.465 19.003 13.115 1.00 0.00 C ATOM 1570 C ASP A 106 -9.832 18.647 12.539 1.00 0.00 C ATOM 1571 O ASP A 106 -10.742 18.255 13.270 1.00 0.00 O ATOM 1572 CB ASP A 106 -7.407 18.034 12.585 1.00 0.00 C ATOM 1573 CG ASP A 106 -7.474 16.678 13.260 1.00 0.00 C ATOM 1574 OD1 ASP A 106 -8.541 16.033 13.190 1.00 0.00 O ATOM 1575 OD2 ASP A 106 -6.459 16.262 13.857 1.00 0.00 O ATOM 0 H ASP A 106 -7.720 18.464 15.000 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.210 20.015 12.800 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.539 17.909 11.510 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -6.417 18.463 12.736 1.00 0.00 H new ATOM 1580 N VAL A 107 -9.970 18.786 11.225 1.00 0.00 N ATOM 1581 CA VAL A 107 -11.226 18.479 10.551 1.00 0.00 C ATOM 1582 C VAL A 107 -10.987 18.073 9.101 1.00 0.00 C ATOM 1583 O VAL A 107 -10.175 18.678 8.403 1.00 0.00 O ATOM 1584 CB VAL A 107 -12.189 19.681 10.583 1.00 0.00 C ATOM 1585 CG1 VAL A 107 -13.437 19.388 9.765 1.00 0.00 C ATOM 1586 CG2 VAL A 107 -12.552 20.034 12.018 1.00 0.00 C ATOM 0 H VAL A 107 -9.227 19.109 10.605 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.678 17.646 11.089 1.00 0.00 H new ATOM 0 HB VAL A 107 -11.686 20.539 10.138 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -14.105 20.249 9.800 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -13.156 19.188 8.731 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.946 18.517 10.177 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -13.233 20.885 12.022 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -13.036 19.180 12.492 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -11.647 20.290 12.570 1.00 0.00 H new ATOM 1596 N GLU A 108 -11.701 17.043 8.655 1.00 0.00 N ATOM 1597 CA GLU A 108 -11.565 16.556 7.288 1.00 0.00 C ATOM 1598 C GLU A 108 -11.894 17.656 6.283 1.00 0.00 C ATOM 1599 O GLU A 108 -13.030 18.126 6.210 1.00 0.00 O ATOM 1600 CB GLU A 108 -12.480 15.351 7.059 1.00 0.00 C ATOM 1601 CG GLU A 108 -12.468 14.841 5.628 1.00 0.00 C ATOM 1602 CD GLU A 108 -13.698 14.020 5.292 1.00 0.00 C ATOM 1603 OE1 GLU A 108 -14.769 14.287 5.876 1.00 0.00 O ATOM 1604 OE2 GLU A 108 -13.590 13.110 4.443 1.00 0.00 O ATOM 0 H GLU A 108 -12.378 16.531 9.220 1.00 0.00 H new ATOM 0 HA GLU A 108 -10.529 16.250 7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.177 14.544 7.726 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.500 15.623 7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.403 15.688 4.945 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.576 14.234 5.470 1.00 0.00 H new ATOM 1611 N PHE A 109 -10.893 18.063 5.510 1.00 0.00 N ATOM 1612 CA PHE A 109 -11.074 19.109 4.510 1.00 0.00 C ATOM 1613 C PHE A 109 -11.220 18.508 3.115 1.00 0.00 C ATOM 1614 O PHE A 109 -12.212 18.743 2.425 1.00 0.00 O ATOM 1615 CB PHE A 109 -9.894 20.081 4.539 1.00 0.00 C ATOM 1616 CG PHE A 109 -9.960 21.135 3.471 1.00 0.00 C ATOM 1617 CD1 PHE A 109 -10.755 22.258 3.636 1.00 0.00 C ATOM 1618 CD2 PHE A 109 -9.226 21.004 2.303 1.00 0.00 C ATOM 1619 CE1 PHE A 109 -10.818 23.229 2.654 1.00 0.00 C ATOM 1620 CE2 PHE A 109 -9.285 21.972 1.318 1.00 0.00 C ATOM 1621 CZ PHE A 109 -10.081 23.087 1.494 1.00 0.00 C ATOM 0 H PHE A 109 -9.947 17.684 5.557 1.00 0.00 H new ATOM 0 HA PHE A 109 -11.988 19.652 4.749 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.856 20.565 5.515 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.967 19.518 4.427 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.332 22.376 4.542 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -8.600 20.135 2.161 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -11.443 24.098 2.794 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -8.709 21.857 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 109 -10.127 23.846 0.727 1.00 0.00 H new ATOM 1631 N LYS A 110 -10.223 17.731 2.706 1.00 0.00 N ATOM 1632 CA LYS A 110 -10.237 17.095 1.394 1.00 0.00 C ATOM 1633 C LYS A 110 -10.022 15.590 1.517 1.00 0.00 C ATOM 1634 O LYS A 110 -9.499 15.108 2.521 1.00 0.00 O ATOM 1635 CB LYS A 110 -9.157 17.703 0.497 1.00 0.00 C ATOM 1636 CG LYS A 110 -9.504 17.671 -0.981 1.00 0.00 C ATOM 1637 CD LYS A 110 -10.402 18.835 -1.368 1.00 0.00 C ATOM 1638 CE LYS A 110 -9.589 20.056 -1.769 1.00 0.00 C ATOM 1639 NZ LYS A 110 -10.403 21.303 -1.723 1.00 0.00 N ATOM 0 H LYS A 110 -9.394 17.526 3.265 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.214 17.270 0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.985 18.736 0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.222 17.166 0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.588 17.705 -1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -10.002 16.731 -1.219 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -11.048 18.539 -2.195 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -11.052 19.088 -0.531 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.732 20.157 -1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.195 19.916 -2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.115 21.934 -2.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.410 21.064 -1.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.253 21.782 -0.812 1.00 0.00 H new ATOM 1653 N SER A 111 -10.429 14.852 0.488 1.00 0.00 N ATOM 1654 CA SER A 111 -10.282 13.402 0.482 1.00 0.00 C ATOM 1655 C SER A 111 -9.665 12.923 -0.829 1.00 0.00 C ATOM 1656 O SER A 111 -10.051 13.367 -1.909 1.00 0.00 O ATOM 1657 CB SER A 111 -11.641 12.730 0.694 1.00 0.00 C ATOM 1658 OG SER A 111 -11.560 11.333 0.469 1.00 0.00 O ATOM 0 H SER A 111 -10.863 15.235 -0.352 1.00 0.00 H new ATOM 0 HA SER A 111 -9.616 13.126 1.299 1.00 0.00 H new ATOM 0 HB2 SER A 111 -11.989 12.918 1.710 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.376 13.168 0.019 1.00 0.00 H new ATOM 0 HG SER A 111 -12.440 10.927 0.612 1.00 0.00 H new ATOM 1664 N GLY A 112 -8.701 12.013 -0.724 1.00 0.00 N ATOM 1665 CA GLY A 112 -8.045 11.488 -1.907 1.00 0.00 C ATOM 1666 C GLY A 112 -8.982 10.673 -2.777 1.00 0.00 C ATOM 1667 O GLY A 112 -9.969 10.122 -2.290 1.00 0.00 O ATOM 0 H GLY A 112 -8.363 11.630 0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.639 12.314 -2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.202 10.867 -1.605 1.00 0.00 H new ATOM 1671 N ALA A 113 -8.673 10.597 -4.067 1.00 0.00 N ATOM 1672 CA ALA A 113 -9.494 9.843 -5.006 1.00 0.00 C ATOM 1673 C ALA A 113 -9.769 8.435 -4.487 1.00 0.00 C ATOM 1674 O ALA A 113 -10.895 7.945 -4.560 1.00 0.00 O ATOM 1675 CB ALA A 113 -8.819 9.783 -6.368 1.00 0.00 C ATOM 0 H ALA A 113 -7.860 11.048 -4.486 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.449 10.357 -5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -9.444 9.217 -7.059 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -8.680 10.794 -6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -7.849 9.295 -6.272 1.00 0.00 H new ATOM 1681 N GLY A 114 -8.732 7.789 -3.964 1.00 0.00 N ATOM 1682 CA GLY A 114 -8.883 6.443 -3.442 1.00 0.00 C ATOM 1683 C GLY A 114 -7.995 5.442 -4.154 1.00 0.00 C ATOM 1684 O GLY A 114 -8.346 4.938 -5.222 1.00 0.00 O ATOM 0 H GLY A 114 -7.790 8.173 -3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.647 6.441 -2.378 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.924 6.134 -3.538 1.00 0.00 H new ATOM 1688 N THR A 115 -6.840 5.152 -3.564 1.00 0.00 N ATOM 1689 CA THR A 115 -5.898 4.207 -4.150 1.00 0.00 C ATOM 1690 C THR A 115 -6.258 2.772 -3.783 1.00 0.00 C ATOM 1691 O THR A 115 -5.892 2.286 -2.714 1.00 0.00 O ATOM 1692 CB THR A 115 -4.455 4.495 -3.693 1.00 0.00 C ATOM 1693 OG1 THR A 115 -4.093 5.839 -4.032 1.00 0.00 O ATOM 1694 CG2 THR A 115 -3.479 3.523 -4.339 1.00 0.00 C ATOM 0 H THR A 115 -6.534 5.558 -2.680 1.00 0.00 H new ATOM 0 HA THR A 115 -5.960 4.329 -5.231 1.00 0.00 H new ATOM 0 HB THR A 115 -4.407 4.368 -2.611 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.070 5.936 -5.007 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.467 3.746 -4.002 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.740 2.503 -4.056 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.530 3.623 -5.423 1.00 0.00 H new ATOM 1702 N GLU A 116 -6.977 2.101 -4.677 1.00 0.00 N ATOM 1703 CA GLU A 116 -7.387 0.720 -4.445 1.00 0.00 C ATOM 1704 C GLU A 116 -6.172 -0.186 -4.270 1.00 0.00 C ATOM 1705 O GLU A 116 -5.235 -0.149 -5.070 1.00 0.00 O ATOM 1706 CB GLU A 116 -8.248 0.219 -5.606 1.00 0.00 C ATOM 1707 CG GLU A 116 -8.631 -1.247 -5.491 1.00 0.00 C ATOM 1708 CD GLU A 116 -9.413 -1.742 -6.692 1.00 0.00 C ATOM 1709 OE1 GLU A 116 -10.432 -1.107 -7.038 1.00 0.00 O ATOM 1710 OE2 GLU A 116 -9.008 -2.764 -7.285 1.00 0.00 O ATOM 0 H GLU A 116 -7.287 2.490 -5.567 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.975 0.691 -3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.156 0.820 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.708 0.373 -6.540 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.728 -1.847 -5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.226 -1.394 -4.589 1.00 0.00 H new ATOM 1717 N LEU A 117 -6.194 -0.999 -3.220 1.00 0.00 N ATOM 1718 CA LEU A 117 -5.094 -1.915 -2.938 1.00 0.00 C ATOM 1719 C LEU A 117 -5.412 -3.319 -3.443 1.00 0.00 C ATOM 1720 O LEU A 117 -6.526 -3.813 -3.271 1.00 0.00 O ATOM 1721 CB LEU A 117 -4.807 -1.953 -1.436 1.00 0.00 C ATOM 1722 CG LEU A 117 -3.695 -2.902 -0.989 1.00 0.00 C ATOM 1723 CD1 LEU A 117 -2.357 -2.464 -1.563 1.00 0.00 C ATOM 1724 CD2 LEU A 117 -3.629 -2.968 0.530 1.00 0.00 C ATOM 0 H LEU A 117 -6.961 -1.043 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.209 -1.553 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -4.550 -0.945 -1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -5.725 -2.231 -0.918 1.00 0.00 H new ATOM 0 HG LEU A 117 -3.921 -3.899 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.577 -3.151 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -2.409 -2.469 -2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -2.124 -1.458 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.832 -3.648 0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -3.427 -1.974 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.580 -3.329 0.920 1.00 0.00 H new ATOM 1736 N SER A 118 -4.425 -3.957 -4.064 1.00 0.00 N ATOM 1737 CA SER A 118 -4.601 -5.304 -4.595 1.00 0.00 C ATOM 1738 C SER A 118 -3.620 -6.275 -3.945 1.00 0.00 C ATOM 1739 O SER A 118 -2.538 -6.529 -4.474 1.00 0.00 O ATOM 1740 CB SER A 118 -4.409 -5.306 -6.112 1.00 0.00 C ATOM 1741 OG SER A 118 -4.770 -4.056 -6.674 1.00 0.00 O ATOM 0 H SER A 118 -3.496 -3.563 -4.212 1.00 0.00 H new ATOM 0 HA SER A 118 -5.615 -5.630 -4.365 1.00 0.00 H new ATOM 0 HB2 SER A 118 -3.369 -5.528 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 118 -5.013 -6.096 -6.557 1.00 0.00 H new ATOM 0 HG SER A 118 -3.966 -3.597 -6.995 1.00 0.00 H new ATOM 1747 N VAL A 119 -4.007 -6.816 -2.794 1.00 0.00 N ATOM 1748 CA VAL A 119 -3.164 -7.761 -2.071 1.00 0.00 C ATOM 1749 C VAL A 119 -3.149 -9.121 -2.759 1.00 0.00 C ATOM 1750 O VAL A 119 -4.197 -9.729 -2.977 1.00 0.00 O ATOM 1751 CB VAL A 119 -3.638 -7.938 -0.617 1.00 0.00 C ATOM 1752 CG1 VAL A 119 -5.090 -8.390 -0.580 1.00 0.00 C ATOM 1753 CG2 VAL A 119 -2.744 -8.925 0.118 1.00 0.00 C ATOM 0 H VAL A 119 -4.899 -6.616 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.155 -7.348 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 119 -3.570 -6.975 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -5.407 -8.510 0.456 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -5.716 -7.643 -1.067 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -5.188 -9.342 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.093 -9.038 1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.778 -9.891 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -1.719 -8.554 0.123 1.00 0.00 H new ATOM 1763 N ARG A 120 -1.954 -9.594 -3.097 1.00 0.00 N ATOM 1764 CA ARG A 120 -1.802 -10.884 -3.761 1.00 0.00 C ATOM 1765 C ARG A 120 -1.268 -11.934 -2.792 1.00 0.00 C ATOM 1766 O ARG A 120 -0.160 -11.807 -2.272 1.00 0.00 O ATOM 1767 CB ARG A 120 -0.862 -10.756 -4.961 1.00 0.00 C ATOM 1768 CG ARG A 120 -1.515 -10.130 -6.182 1.00 0.00 C ATOM 1769 CD ARG A 120 -0.729 -10.431 -7.449 1.00 0.00 C ATOM 1770 NE ARG A 120 -1.238 -9.687 -8.598 1.00 0.00 N ATOM 1771 CZ ARG A 120 -2.397 -9.953 -9.190 1.00 0.00 C ATOM 1772 NH1 ARG A 120 -3.163 -10.938 -8.744 1.00 0.00 N ATOM 1773 NH2 ARG A 120 -2.793 -9.231 -10.231 1.00 0.00 N ATOM 0 H ARG A 120 -1.077 -9.104 -2.922 1.00 0.00 H new ATOM 0 HA ARG A 120 -2.784 -11.203 -4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 120 0.001 -10.156 -4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -0.488 -11.745 -5.226 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -2.533 -10.507 -6.285 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -1.587 -9.051 -6.045 1.00 0.00 H new ATOM 0 HD2 ARG A 120 0.321 -10.182 -7.292 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -0.776 -11.499 -7.659 1.00 0.00 H new ATOM 0 HE ARG A 120 -0.673 -8.922 -8.966 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -2.863 -11.495 -7.944 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -4.052 -11.139 -9.201 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -2.207 -8.471 -10.577 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -3.683 -9.436 -10.685 1.00 0.00 H new ATOM 1787 N ALA A 121 -2.064 -12.971 -2.553 1.00 0.00 N ATOM 1788 CA ALA A 121 -1.671 -14.044 -1.648 1.00 0.00 C ATOM 1789 C ALA A 121 -0.207 -14.420 -1.845 1.00 0.00 C ATOM 1790 O ALA A 121 0.342 -14.272 -2.938 1.00 0.00 O ATOM 1791 CB ALA A 121 -2.562 -15.260 -1.853 1.00 0.00 C ATOM 0 H ALA A 121 -2.985 -13.091 -2.974 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.793 -13.686 -0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.257 -16.054 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.599 -14.989 -1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.469 -15.610 -2.881 1.00 0.00 H new ATOM 1797 N LYS A 122 0.423 -14.905 -0.781 1.00 0.00 N ATOM 1798 CA LYS A 122 1.825 -15.303 -0.836 1.00 0.00 C ATOM 1799 C LYS A 122 2.165 -15.911 -2.193 1.00 0.00 C ATOM 1800 O LYS A 122 1.330 -16.538 -2.845 1.00 0.00 O ATOM 1801 CB LYS A 122 2.136 -16.305 0.277 1.00 0.00 C ATOM 1802 CG LYS A 122 1.555 -17.687 0.031 1.00 0.00 C ATOM 1803 CD LYS A 122 1.474 -18.494 1.316 1.00 0.00 C ATOM 1804 CE LYS A 122 1.576 -19.987 1.043 1.00 0.00 C ATOM 1805 NZ LYS A 122 0.383 -20.501 0.316 1.00 0.00 N ATOM 0 H LYS A 122 -0.015 -15.032 0.131 1.00 0.00 H new ATOM 0 HA LYS A 122 2.436 -14.412 -0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 122 3.217 -16.389 0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 122 1.748 -15.920 1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.560 -17.592 -0.404 1.00 0.00 H new ATOM 0 HG3 LYS A 122 2.171 -18.218 -0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.276 -18.190 1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.534 -18.279 1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 122 2.473 -20.189 0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 122 1.685 -20.522 1.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.491 -21.522 0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -0.470 -20.332 0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 0.293 -20.009 -0.596 1.00 0.00 H new