USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 705 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 107 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.355) USER MOD Set 1.2: A 109 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 19 THR OG1 : rot 171:sc= 0.551 USER MOD Set 2.2: A 77 THR OG1 : rot -29:sc= 0.903 USER MOD Set 3.1: A 37 TYR OH : rot 67:sc= 0.285 USER MOD Set 3.2: A 47 THR OG1 : rot -21:sc= -0.127 USER MOD Set 4.1: A 35 GLN : amide:sc= -0.443 K(o=0.21,f=-14!) USER MOD Set 4.2: A 92 GLN : amide:sc= 0.497 K(o=0.21,f=-4.3!) USER MOD Set 4.3: A 94 TYR OH : rot -179:sc= 0.156! USER MOD Set 5.1: A 28 SER OG : rot 78:sc= 0.86 USER MOD Set 5.2: A 32 ASN : amide:sc= -3.51! C(o=-2.6!,f=-7.5!) USER MOD Set 6.1: A 3 MET CE :methyl -121:sc= 0 (180deg=-0.14) USER MOD Set 6.2: A 25 SER OG : rot -110:sc= -0.516 USER MOD Set 7.1: A 8 HIS : no HD1:sc= -0.612 K(o=-0.61,f=-4.7!) USER MOD Set 7.2: A 9 SER OG : rot 180:sc= 0 USER MOD Set 8.1: A 6 GLN : amide:sc= -9.2! C(o=-11!,f=-12!) USER MOD Set 8.2: A 106 THR OG1 : rot -55:sc= -1.92! USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.654 USER MOD Single : A 11 SER OG : rot -160:sc=-0.00886 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0532 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -2.01 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -5.89! C(o=-5.9!,f=-7!) USER MOD Single : A 39 GLN : amide:sc= -2.7 X(o=-2.7,f=-2.5!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0017 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -2.53! K(o=-2.5!,f=-0.53) USER MOD Single : A 54 GLN : amide:sc= -10.4! C(o=-10!,f=-5.1!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -37:sc= 0.449 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 96:sc= -0.241! USER MOD Single : A 72 ASN : amide:sc= -0.29 K(o=-0.29,f=-1.1!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 131:sc= 0.162 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0253 USER MOD Single : A 89 TYR OH : rot 71:sc= -1.12 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.429 USER MOD Single : A 93 SER OG : rot 58:sc= -1.51! USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 3 82.212 14.196 7.158 1.00 0.00 N ATOM 38 CA MET A 3 83.294 13.325 6.714 1.00 0.00 C ATOM 39 C MET A 3 82.844 11.870 6.762 1.00 0.00 C ATOM 40 O MET A 3 81.774 11.568 7.290 1.00 0.00 O ATOM 41 CB MET A 3 84.519 13.511 7.612 1.00 0.00 C ATOM 42 CG MET A 3 85.037 14.945 7.486 1.00 0.00 C ATOM 43 SD MET A 3 86.613 15.103 8.362 1.00 0.00 S ATOM 44 CE MET A 3 85.967 15.165 10.053 1.00 0.00 C ATOM 0 HA MET A 3 83.557 13.587 5.689 1.00 0.00 H new ATOM 0 HB2 MET A 3 84.258 13.298 8.649 1.00 0.00 H new ATOM 0 HB3 MET A 3 85.300 12.806 7.329 1.00 0.00 H new ATOM 0 HG2 MET A 3 85.166 15.204 6.435 1.00 0.00 H new ATOM 0 HG3 MET A 3 84.309 15.643 7.899 1.00 0.00 H new ATOM 0 HE1 MET A 3 86.273 16.099 10.525 1.00 0.00 H new ATOM 0 HE2 MET A 3 84.879 15.110 10.029 1.00 0.00 H new ATOM 0 HE3 MET A 3 86.361 14.324 10.624 1.00 0.00 H new ATOM 54 N LEU A 4 83.613 10.987 6.131 1.00 0.00 N ATOM 55 CA LEU A 4 83.300 9.562 6.147 1.00 0.00 C ATOM 56 C LEU A 4 84.504 8.787 6.668 1.00 0.00 C ATOM 57 O LEU A 4 85.484 8.583 5.951 1.00 0.00 O ATOM 58 CB LEU A 4 82.938 9.066 4.742 1.00 0.00 C ATOM 59 CG LEU A 4 81.504 9.463 4.360 1.00 0.00 C ATOM 60 CD1 LEU A 4 81.488 10.840 3.692 1.00 0.00 C ATOM 61 CD2 LEU A 4 80.914 8.439 3.387 1.00 0.00 C ATOM 0 H LEU A 4 84.452 11.231 5.605 1.00 0.00 H new ATOM 0 HA LEU A 4 82.442 9.401 6.800 1.00 0.00 H new ATOM 0 HB2 LEU A 4 83.638 9.481 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 4 83.041 7.982 4.700 1.00 0.00 H new ATOM 0 HG LEU A 4 80.908 9.494 5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 4 80.464 11.105 3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 4 81.889 11.583 4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 4 82.100 10.814 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 4 79.897 8.731 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 4 81.525 8.399 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 4 80.899 7.456 3.858 1.00 0.00 H new ATOM 73 N THR A 5 84.416 8.338 7.916 1.00 0.00 N ATOM 74 CA THR A 5 85.516 7.599 8.525 1.00 0.00 C ATOM 75 C THR A 5 85.369 6.109 8.239 1.00 0.00 C ATOM 76 O THR A 5 84.403 5.474 8.662 1.00 0.00 O ATOM 77 CB THR A 5 85.534 7.833 10.038 1.00 0.00 C ATOM 78 OG1 THR A 5 84.265 7.509 10.584 1.00 0.00 O ATOM 79 CG2 THR A 5 85.856 9.298 10.354 1.00 0.00 C ATOM 0 H THR A 5 83.604 8.471 8.519 1.00 0.00 H new ATOM 0 HA THR A 5 86.453 7.954 8.097 1.00 0.00 H new ATOM 0 HB THR A 5 86.303 7.198 10.477 1.00 0.00 H new ATOM 0 HG1 THR A 5 84.278 7.658 11.553 1.00 0.00 H new ATOM 0 HG21 THR A 5 85.864 9.444 11.434 1.00 0.00 H new ATOM 0 HG22 THR A 5 86.835 9.552 9.946 1.00 0.00 H new ATOM 0 HG23 THR A 5 85.099 9.942 9.907 1.00 0.00 H new ATOM 87 N GLN A 6 86.356 5.547 7.547 1.00 0.00 N ATOM 88 CA GLN A 6 86.344 4.128 7.206 1.00 0.00 C ATOM 89 C GLN A 6 87.779 3.606 7.229 1.00 0.00 C ATOM 90 O GLN A 6 88.720 4.375 7.033 1.00 0.00 O ATOM 91 CB GLN A 6 85.658 3.947 5.842 1.00 0.00 C ATOM 92 CG GLN A 6 86.614 3.434 4.761 1.00 0.00 C ATOM 93 CD GLN A 6 85.888 3.313 3.426 1.00 0.00 C ATOM 94 OE1 GLN A 6 86.467 2.826 2.455 1.00 0.00 O ATOM 95 NE2 GLN A 6 84.620 3.611 3.351 1.00 0.00 N ATOM 0 H GLN A 6 87.175 6.053 7.211 1.00 0.00 H new ATOM 0 HA GLN A 6 85.775 3.546 7.931 1.00 0.00 H new ATOM 0 HB2 GLN A 6 84.828 3.249 5.948 1.00 0.00 H new ATOM 0 HB3 GLN A 6 85.235 4.900 5.524 1.00 0.00 H new ATOM 0 HG2 GLN A 6 87.460 4.114 4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 6 87.017 2.464 5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 6 84.142 4.014 4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 6 84.106 3.440 2.486 1.00 0.00 H new ATOM 104 N PRO A 7 87.953 2.311 7.238 1.00 0.00 N ATOM 105 CA PRO A 7 89.307 1.693 7.279 1.00 0.00 C ATOM 106 C PRO A 7 90.203 2.244 6.174 1.00 0.00 C ATOM 107 O PRO A 7 89.716 2.668 5.127 1.00 0.00 O ATOM 108 CB PRO A 7 89.043 0.190 7.097 1.00 0.00 C ATOM 109 CG PRO A 7 87.560 0.015 6.989 1.00 0.00 C ATOM 110 CD PRO A 7 86.915 1.303 7.504 1.00 0.00 C ATOM 0 HA PRO A 7 89.834 1.908 8.208 1.00 0.00 H new ATOM 0 HB2 PRO A 7 89.541 -0.183 6.202 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.437 -0.376 7.941 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.269 -0.175 5.956 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.230 -0.842 7.576 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.987 1.529 6.979 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.674 1.239 8.565 1.00 0.00 H new ATOM 118 N HIS A 8 91.496 2.346 6.461 1.00 0.00 N ATOM 119 CA HIS A 8 92.450 2.860 5.484 1.00 0.00 C ATOM 120 C HIS A 8 92.812 1.778 4.470 1.00 0.00 C ATOM 121 O HIS A 8 92.692 1.986 3.263 1.00 0.00 O ATOM 122 CB HIS A 8 93.705 3.369 6.200 1.00 0.00 C ATOM 123 CG HIS A 8 93.959 2.545 7.433 1.00 0.00 C ATOM 124 ND1 HIS A 8 94.627 1.332 7.390 1.00 0.00 N ATOM 125 CD2 HIS A 8 93.614 2.737 8.750 1.00 0.00 C ATOM 126 CE1 HIS A 8 94.675 0.849 8.643 1.00 0.00 C ATOM 127 NE2 HIS A 8 94.067 1.661 9.511 1.00 0.00 N ATOM 0 H HIS A 8 91.906 2.081 7.357 1.00 0.00 H new ATOM 0 HA HIS A 8 91.992 3.690 4.946 1.00 0.00 H new ATOM 0 HB2 HIS A 8 94.564 3.313 5.531 1.00 0.00 H new ATOM 0 HB3 HIS A 8 93.580 4.417 6.472 1.00 0.00 H new ATOM 0 HD2 HIS A 8 93.075 3.590 9.135 1.00 0.00 H new ATOM 0 HE1 HIS A 8 95.148 -0.083 8.915 1.00 0.00 H new ATOM 0 HE2 HIS A 8 93.958 1.523 10.516 1.00 0.00 H new ATOM 135 N SER A 9 93.292 0.639 4.960 1.00 0.00 N ATOM 136 CA SER A 9 93.682 -0.457 4.079 1.00 0.00 C ATOM 137 C SER A 9 93.599 -1.791 4.812 1.00 0.00 C ATOM 138 O SER A 9 93.953 -1.891 5.987 1.00 0.00 O ATOM 139 CB SER A 9 95.107 -0.231 3.569 1.00 0.00 C ATOM 140 OG SER A 9 95.942 0.160 4.648 1.00 0.00 O ATOM 0 H SER A 9 93.420 0.451 5.954 1.00 0.00 H new ATOM 0 HA SER A 9 92.996 -0.484 3.233 1.00 0.00 H new ATOM 0 HB2 SER A 9 95.490 -1.144 3.112 1.00 0.00 H new ATOM 0 HB3 SER A 9 95.110 0.538 2.796 1.00 0.00 H new ATOM 0 HG SER A 9 96.854 0.303 4.320 1.00 0.00 H new ATOM 146 N VAL A 10 93.172 -2.823 4.093 1.00 0.00 N ATOM 147 CA VAL A 10 93.059 -4.156 4.671 1.00 0.00 C ATOM 148 C VAL A 10 93.039 -5.205 3.565 1.00 0.00 C ATOM 149 O VAL A 10 92.492 -4.965 2.489 1.00 0.00 O ATOM 150 CB VAL A 10 91.778 -4.256 5.502 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.559 -4.018 4.607 1.00 0.00 C ATOM 152 CG2 VAL A 10 91.690 -5.648 6.133 1.00 0.00 C ATOM 0 H VAL A 10 92.899 -2.762 3.112 1.00 0.00 H new ATOM 0 HA VAL A 10 93.919 -4.336 5.316 1.00 0.00 H new ATOM 0 HB VAL A 10 91.796 -3.500 6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.650 -4.090 5.204 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.623 -3.025 4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.535 -4.769 3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 10 90.778 -5.722 6.726 1.00 0.00 H new ATOM 0 HG22 VAL A 10 91.674 -6.403 5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 10 92.555 -5.811 6.776 1.00 0.00 H new ATOM 162 N SER A 11 93.605 -6.376 3.843 1.00 0.00 N ATOM 163 CA SER A 11 93.658 -7.454 2.859 1.00 0.00 C ATOM 164 C SER A 11 93.076 -8.737 3.442 1.00 0.00 C ATOM 165 O SER A 11 93.254 -9.028 4.625 1.00 0.00 O ATOM 166 CB SER A 11 95.107 -7.698 2.432 1.00 0.00 C ATOM 167 OG SER A 11 95.803 -8.368 3.474 1.00 0.00 O ATOM 0 H SER A 11 94.033 -6.603 4.741 1.00 0.00 H new ATOM 0 HA SER A 11 93.067 -7.160 1.991 1.00 0.00 H new ATOM 0 HB2 SER A 11 95.133 -8.295 1.521 1.00 0.00 H new ATOM 0 HB3 SER A 11 95.595 -6.750 2.206 1.00 0.00 H new ATOM 0 HG SER A 11 96.768 -8.247 3.354 1.00 0.00 H new ATOM 173 N GLU A 12 92.433 -9.531 2.590 1.00 0.00 N ATOM 174 CA GLU A 12 91.807 -10.777 3.021 1.00 0.00 C ATOM 175 C GLU A 12 92.181 -11.911 2.072 1.00 0.00 C ATOM 176 O GLU A 12 92.533 -11.673 0.917 1.00 0.00 O ATOM 177 CB GLU A 12 90.284 -10.605 3.053 1.00 0.00 C ATOM 178 CG GLU A 12 89.666 -11.542 4.093 1.00 0.00 C ATOM 179 CD GLU A 12 90.008 -11.043 5.492 1.00 0.00 C ATOM 180 OE1 GLU A 12 90.372 -9.885 5.613 1.00 0.00 O ATOM 181 OE2 GLU A 12 89.941 -11.836 6.417 1.00 0.00 O ATOM 0 H GLU A 12 92.332 -9.333 1.595 1.00 0.00 H new ATOM 0 HA GLU A 12 92.163 -11.025 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 12 90.033 -9.571 3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 12 89.866 -10.817 2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 12 88.584 -11.583 3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 12 90.042 -12.556 3.954 1.00 0.00 H new ATOM 188 N SER A 13 92.232 -13.128 2.606 1.00 0.00 N ATOM 189 CA SER A 13 92.653 -14.279 1.816 1.00 0.00 C ATOM 190 C SER A 13 91.537 -14.698 0.859 1.00 0.00 C ATOM 191 O SER A 13 90.385 -14.799 1.282 1.00 0.00 O ATOM 192 CB SER A 13 93.025 -15.434 2.752 1.00 0.00 C ATOM 193 OG SER A 13 93.372 -14.904 4.023 1.00 0.00 O ATOM 0 H SER A 13 91.989 -13.341 3.574 1.00 0.00 H new ATOM 0 HA SER A 13 93.527 -14.010 1.223 1.00 0.00 H new ATOM 0 HB2 SER A 13 92.188 -16.126 2.848 1.00 0.00 H new ATOM 0 HB3 SER A 13 93.860 -16.000 2.339 1.00 0.00 H new ATOM 0 HG SER A 13 93.610 -15.637 4.629 1.00 0.00 H new ATOM 199 N PRO A 14 91.834 -15.056 -0.363 1.00 0.00 N ATOM 200 CA PRO A 14 90.775 -15.486 -1.319 1.00 0.00 C ATOM 201 C PRO A 14 90.028 -16.707 -0.792 1.00 0.00 C ATOM 202 O PRO A 14 90.622 -17.767 -0.595 1.00 0.00 O ATOM 203 CB PRO A 14 91.510 -15.796 -2.630 1.00 0.00 C ATOM 204 CG PRO A 14 92.970 -15.560 -2.401 1.00 0.00 C ATOM 205 CD PRO A 14 93.148 -14.928 -1.017 1.00 0.00 C ATOM 0 HA PRO A 14 90.019 -14.714 -1.463 1.00 0.00 H new ATOM 0 HB2 PRO A 14 91.332 -16.828 -2.933 1.00 0.00 H new ATOM 0 HB3 PRO A 14 91.141 -15.160 -3.435 1.00 0.00 H new ATOM 0 HG2 PRO A 14 93.520 -16.499 -2.462 1.00 0.00 H new ATOM 0 HG3 PRO A 14 93.373 -14.904 -3.172 1.00 0.00 H new ATOM 0 HD2 PRO A 14 93.923 -15.440 -0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 14 93.448 -13.883 -1.097 1.00 0.00 H new ATOM 213 N GLY A 15 88.707 -16.590 -0.691 1.00 0.00 N ATOM 214 CA GLY A 15 87.868 -17.698 -0.242 1.00 0.00 C ATOM 215 C GLY A 15 87.175 -17.338 1.068 1.00 0.00 C ATOM 216 O GLY A 15 86.416 -18.138 1.616 1.00 0.00 O ATOM 0 H GLY A 15 88.193 -15.738 -0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 15 87.124 -17.931 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 15 88.476 -18.592 -0.106 1.00 0.00 H new ATOM 220 N LYS A 16 87.623 -16.242 1.673 1.00 0.00 N ATOM 221 CA LYS A 16 87.043 -15.759 2.922 1.00 0.00 C ATOM 222 C LYS A 16 86.074 -14.608 2.667 1.00 0.00 C ATOM 223 O LYS A 16 85.650 -14.381 1.534 1.00 0.00 O ATOM 224 CB LYS A 16 88.166 -15.296 3.852 1.00 0.00 C ATOM 225 CG LYS A 16 88.856 -16.511 4.476 1.00 0.00 C ATOM 226 CD LYS A 16 89.893 -16.035 5.496 1.00 0.00 C ATOM 227 CE LYS A 16 90.423 -17.220 6.308 1.00 0.00 C ATOM 228 NZ LYS A 16 91.447 -17.954 5.512 1.00 0.00 N ATOM 0 H LYS A 16 88.389 -15.670 1.317 1.00 0.00 H new ATOM 0 HA LYS A 16 86.486 -16.573 3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 16 88.890 -14.701 3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 16 87.761 -14.654 4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 16 88.120 -17.152 4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 16 89.338 -17.108 3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 16 90.717 -15.540 4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 16 89.445 -15.299 6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 16 90.859 -16.867 7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 16 89.604 -17.889 6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 91.806 -18.758 6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 91.017 -18.303 4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 92.233 -17.313 5.283 1.00 0.00 H new ATOM 242 N THR A 17 85.622 -13.979 3.748 1.00 0.00 N ATOM 243 CA THR A 17 84.676 -12.869 3.665 1.00 0.00 C ATOM 244 C THR A 17 85.226 -11.648 4.394 1.00 0.00 C ATOM 245 O THR A 17 86.109 -11.766 5.244 1.00 0.00 O ATOM 246 CB THR A 17 83.343 -13.279 4.293 1.00 0.00 C ATOM 247 OG1 THR A 17 83.535 -13.555 5.673 1.00 0.00 O ATOM 248 CG2 THR A 17 82.814 -14.532 3.591 1.00 0.00 C ATOM 0 H THR A 17 85.898 -14.221 4.700 1.00 0.00 H new ATOM 0 HA THR A 17 84.524 -12.617 2.615 1.00 0.00 H new ATOM 0 HB THR A 17 82.623 -12.468 4.182 1.00 0.00 H new ATOM 0 HG1 THR A 17 82.681 -13.816 6.076 1.00 0.00 H new ATOM 0 HG21 THR A 17 81.864 -14.826 4.038 1.00 0.00 H new ATOM 0 HG22 THR A 17 82.667 -14.321 2.532 1.00 0.00 H new ATOM 0 HG23 THR A 17 83.534 -15.343 3.703 1.00 0.00 H new ATOM 256 N VAL A 18 84.700 -10.474 4.059 1.00 0.00 N ATOM 257 CA VAL A 18 85.112 -9.239 4.717 1.00 0.00 C ATOM 258 C VAL A 18 83.944 -8.262 4.805 1.00 0.00 C ATOM 259 O VAL A 18 83.031 -8.290 3.980 1.00 0.00 O ATOM 260 CB VAL A 18 86.274 -8.607 3.946 1.00 0.00 C ATOM 261 CG1 VAL A 18 85.804 -8.136 2.567 1.00 0.00 C ATOM 262 CG2 VAL A 18 86.830 -7.418 4.732 1.00 0.00 C ATOM 0 H VAL A 18 83.989 -10.352 3.338 1.00 0.00 H new ATOM 0 HA VAL A 18 85.439 -9.473 5.730 1.00 0.00 H new ATOM 0 HB VAL A 18 87.056 -9.355 3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.641 -7.689 2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.424 -8.987 2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 18 85.012 -7.396 2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 18 87.657 -6.971 4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 18 86.044 -6.676 4.873 1.00 0.00 H new ATOM 0 HG23 VAL A 18 87.186 -7.759 5.704 1.00 0.00 H new ATOM 272 N THR A 19 83.988 -7.381 5.801 1.00 0.00 N ATOM 273 CA THR A 19 82.933 -6.394 6.013 1.00 0.00 C ATOM 274 C THR A 19 83.564 -5.011 6.147 1.00 0.00 C ATOM 275 O THR A 19 84.427 -4.796 6.998 1.00 0.00 O ATOM 276 CB THR A 19 82.147 -6.782 7.272 1.00 0.00 C ATOM 277 OG1 THR A 19 81.088 -7.654 6.908 1.00 0.00 O ATOM 278 CG2 THR A 19 81.564 -5.571 8.009 1.00 0.00 C ATOM 0 H THR A 19 84.749 -7.331 6.478 1.00 0.00 H new ATOM 0 HA THR A 19 82.244 -6.369 5.169 1.00 0.00 H new ATOM 0 HB THR A 19 82.846 -7.270 7.951 1.00 0.00 H new ATOM 0 HG1 THR A 19 80.673 -8.020 7.717 1.00 0.00 H new ATOM 0 HG21 THR A 19 81.019 -5.909 8.891 1.00 0.00 H new ATOM 0 HG22 THR A 19 82.373 -4.907 8.315 1.00 0.00 H new ATOM 0 HG23 THR A 19 80.885 -5.034 7.347 1.00 0.00 H new ATOM 286 N ILE A 20 83.013 -4.043 5.420 1.00 0.00 N ATOM 287 CA ILE A 20 83.500 -2.667 5.473 1.00 0.00 C ATOM 288 C ILE A 20 82.619 -1.835 6.400 1.00 0.00 C ATOM 289 O ILE A 20 81.442 -2.143 6.589 1.00 0.00 O ATOM 290 CB ILE A 20 83.481 -2.042 4.074 1.00 0.00 C ATOM 291 CG1 ILE A 20 84.000 -3.040 3.034 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.368 -0.794 4.053 1.00 0.00 C ATOM 293 CD1 ILE A 20 83.897 -2.457 1.621 1.00 0.00 C ATOM 0 H ILE A 20 82.227 -4.186 4.786 1.00 0.00 H new ATOM 0 HA ILE A 20 84.522 -2.679 5.851 1.00 0.00 H new ATOM 0 HB ILE A 20 82.453 -1.772 3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 20 85.037 -3.294 3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 20 83.426 -3.965 3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.352 -0.353 3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.994 -0.070 4.777 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.390 -1.070 4.311 1.00 0.00 H new ATOM 0 HD11 ILE A 20 84.271 -3.183 0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 20 82.855 -2.227 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 20 84.491 -1.545 1.559 1.00 0.00 H new ATOM 305 N SER A 21 83.213 -0.832 7.040 1.00 0.00 N ATOM 306 CA SER A 21 82.479 0.074 7.918 1.00 0.00 C ATOM 307 C SER A 21 82.681 1.529 7.494 1.00 0.00 C ATOM 308 O SER A 21 83.785 2.059 7.620 1.00 0.00 O ATOM 309 CB SER A 21 82.968 -0.133 9.354 1.00 0.00 C ATOM 310 OG SER A 21 82.937 -1.519 9.669 1.00 0.00 O ATOM 0 H SER A 21 84.209 -0.625 6.966 1.00 0.00 H new ATOM 0 HA SER A 21 81.413 -0.145 7.852 1.00 0.00 H new ATOM 0 HB2 SER A 21 83.981 0.253 9.464 1.00 0.00 H new ATOM 0 HB3 SER A 21 82.338 0.423 10.048 1.00 0.00 H new ATOM 0 HG SER A 21 83.251 -1.653 10.587 1.00 0.00 H new ATOM 316 N CYS A 22 81.597 2.199 7.102 1.00 0.00 N ATOM 317 CA CYS A 22 81.621 3.595 6.653 1.00 0.00 C ATOM 318 C CYS A 22 80.718 4.392 7.602 1.00 0.00 C ATOM 319 O CYS A 22 79.676 3.883 8.016 1.00 0.00 O ATOM 320 CB CYS A 22 81.157 3.675 5.180 1.00 0.00 C ATOM 321 SG CYS A 22 81.761 5.122 4.247 1.00 0.00 S ATOM 0 H CYS A 22 80.665 1.784 7.086 1.00 0.00 H new ATOM 0 HA CYS A 22 82.626 4.017 6.683 1.00 0.00 H new ATOM 0 HB2 CYS A 22 81.481 2.771 4.665 1.00 0.00 H new ATOM 0 HB3 CYS A 22 80.067 3.680 5.160 1.00 0.00 H new ATOM 326 N THR A 23 81.285 5.394 8.276 1.00 0.00 N ATOM 327 CA THR A 23 80.539 6.206 9.236 1.00 0.00 C ATOM 328 C THR A 23 80.558 7.656 8.770 1.00 0.00 C ATOM 329 O THR A 23 81.638 8.203 8.553 1.00 0.00 O ATOM 330 CB THR A 23 81.168 6.149 10.630 1.00 0.00 C ATOM 331 OG1 THR A 23 81.143 4.813 11.111 1.00 0.00 O ATOM 332 CG2 THR A 23 80.388 7.057 11.586 1.00 0.00 C ATOM 0 H THR A 23 82.264 5.663 8.173 1.00 0.00 H new ATOM 0 HA THR A 23 79.523 5.815 9.292 1.00 0.00 H new ATOM 0 HB THR A 23 82.201 6.491 10.573 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.548 4.779 12.003 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.839 7.014 12.578 1.00 0.00 H new ATOM 0 HG22 THR A 23 80.417 8.083 11.218 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.353 6.721 11.643 1.00 0.00 H new ATOM 340 N ARG A 24 79.443 8.354 8.955 1.00 0.00 N ATOM 341 CA ARG A 24 79.438 9.797 8.749 1.00 0.00 C ATOM 342 C ARG A 24 79.855 10.506 10.036 1.00 0.00 C ATOM 343 O ARG A 24 79.274 10.281 11.097 1.00 0.00 O ATOM 344 CB ARG A 24 78.046 10.245 8.279 1.00 0.00 C ATOM 345 CG ARG A 24 78.069 10.613 6.793 1.00 0.00 C ATOM 346 CD ARG A 24 76.641 10.784 6.271 1.00 0.00 C ATOM 347 NE ARG A 24 75.850 9.589 6.542 1.00 0.00 N ATOM 348 CZ ARG A 24 76.002 8.480 5.825 1.00 0.00 C ATOM 349 NH1 ARG A 24 77.100 8.276 5.150 1.00 0.00 N ATOM 350 NH2 ARG A 24 75.071 7.566 5.836 1.00 0.00 N ATOM 0 H ARG A 24 78.549 7.955 9.241 1.00 0.00 H new ATOM 0 HA ARG A 24 80.157 10.064 7.975 1.00 0.00 H new ATOM 0 HB2 ARG A 24 77.324 9.446 8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.717 11.102 8.866 1.00 0.00 H new ATOM 0 HG2 ARG A 24 78.630 11.536 6.648 1.00 0.00 H new ATOM 0 HG3 ARG A 24 78.581 9.836 6.226 1.00 0.00 H new ATOM 0 HD2 ARG A 24 76.176 11.649 6.743 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.661 10.979 5.199 1.00 0.00 H new ATOM 0 HE ARG A 24 75.165 9.605 7.298 1.00 0.00 H new ATOM 0 HH11 ARG A 24 77.848 8.970 5.171 1.00 0.00 H new ATOM 0 HH12 ARG A 24 77.211 7.423 4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 24 74.228 7.703 6.394 1.00 0.00 H new ATOM 0 HH22 ARG A 24 75.186 6.714 5.286 1.00 0.00 H new ATOM 364 N SER A 25 80.658 11.551 9.871 1.00 0.00 N ATOM 365 CA SER A 25 81.076 12.385 10.992 1.00 0.00 C ATOM 366 C SER A 25 79.863 13.018 11.666 1.00 0.00 C ATOM 367 O SER A 25 80.001 13.978 12.424 1.00 0.00 O ATOM 368 CB SER A 25 82.087 13.444 10.543 1.00 0.00 C ATOM 369 OG SER A 25 83.399 12.958 10.786 1.00 0.00 O ATOM 0 H SER A 25 81.034 11.842 8.968 1.00 0.00 H new ATOM 0 HA SER A 25 81.575 11.752 11.726 1.00 0.00 H new ATOM 0 HB2 SER A 25 81.957 13.665 9.484 1.00 0.00 H new ATOM 0 HB3 SER A 25 81.923 14.375 11.085 1.00 0.00 H new ATOM 0 HG SER A 25 83.806 13.467 11.518 1.00 0.00 H new ATOM 375 N SER A 26 78.689 12.682 11.139 1.00 0.00 N ATOM 376 CA SER A 26 77.433 13.263 11.599 1.00 0.00 C ATOM 377 C SER A 26 76.697 12.259 12.484 1.00 0.00 C ATOM 378 O SER A 26 75.774 12.619 13.215 1.00 0.00 O ATOM 379 CB SER A 26 76.601 13.650 10.372 1.00 0.00 C ATOM 380 OG SER A 26 76.354 15.048 10.397 1.00 0.00 O ATOM 0 H SER A 26 78.582 12.003 10.385 1.00 0.00 H new ATOM 0 HA SER A 26 77.615 14.156 12.196 1.00 0.00 H new ATOM 0 HB2 SER A 26 77.130 13.378 9.459 1.00 0.00 H new ATOM 0 HB3 SER A 26 75.659 13.102 10.369 1.00 0.00 H new ATOM 0 HG SER A 26 75.823 15.301 9.613 1.00 0.00 H new ATOM 386 N GLY A 27 77.090 10.993 12.381 1.00 0.00 N ATOM 387 CA GLY A 27 76.457 9.925 13.148 1.00 0.00 C ATOM 388 C GLY A 27 75.269 9.337 12.394 1.00 0.00 C ATOM 389 O GLY A 27 75.122 8.118 12.306 1.00 0.00 O ATOM 0 H GLY A 27 77.846 10.681 11.772 1.00 0.00 H new ATOM 0 HA2 GLY A 27 77.185 9.140 13.354 1.00 0.00 H new ATOM 0 HA3 GLY A 27 76.125 10.313 14.111 1.00 0.00 H new ATOM 393 N SER A 28 74.475 10.206 11.778 1.00 0.00 N ATOM 394 CA SER A 28 73.299 9.763 11.038 1.00 0.00 C ATOM 395 C SER A 28 73.701 8.896 9.850 1.00 0.00 C ATOM 396 O SER A 28 74.405 9.354 8.950 1.00 0.00 O ATOM 397 CB SER A 28 72.516 10.977 10.535 1.00 0.00 C ATOM 398 OG SER A 28 73.354 11.765 9.702 1.00 0.00 O ATOM 0 H SER A 28 74.623 11.215 11.776 1.00 0.00 H new ATOM 0 HA SER A 28 72.675 9.172 11.709 1.00 0.00 H new ATOM 0 HB2 SER A 28 71.635 10.652 9.981 1.00 0.00 H new ATOM 0 HB3 SER A 28 72.161 11.570 11.378 1.00 0.00 H new ATOM 0 HG SER A 28 73.425 11.346 8.819 1.00 0.00 H new ATOM 404 N ILE A 29 73.344 7.616 9.904 1.00 0.00 N ATOM 405 CA ILE A 29 73.723 6.664 8.864 1.00 0.00 C ATOM 406 C ILE A 29 72.549 5.782 8.459 1.00 0.00 C ATOM 407 O ILE A 29 72.067 5.864 7.329 1.00 0.00 O ATOM 408 CB ILE A 29 74.844 5.750 9.363 1.00 0.00 C ATOM 409 CG1 ILE A 29 74.501 5.193 10.759 1.00 0.00 C ATOM 410 CG2 ILE A 29 76.190 6.497 9.373 1.00 0.00 C ATOM 411 CD1 ILE A 29 74.044 3.729 10.744 1.00 0.00 C ATOM 0 H ILE A 29 72.791 7.213 10.660 1.00 0.00 H new ATOM 0 HA ILE A 29 74.054 7.247 8.005 1.00 0.00 H new ATOM 0 HB ILE A 29 74.938 4.907 8.678 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.376 5.284 11.402 1.00 0.00 H new ATOM 0 HG13 ILE A 29 73.715 5.805 11.202 1.00 0.00 H new ATOM 0 HG21 ILE A 29 76.974 5.830 9.731 1.00 0.00 H new ATOM 0 HG22 ILE A 29 76.429 6.829 8.363 1.00 0.00 H new ATOM 0 HG23 ILE A 29 76.121 7.362 10.032 1.00 0.00 H new ATOM 0 HD11 ILE A 29 73.820 3.407 11.761 1.00 0.00 H new ATOM 0 HD12 ILE A 29 73.150 3.633 10.128 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.837 3.105 10.332 1.00 0.00 H new ATOM 423 N ALA A 30 72.018 5.032 9.420 1.00 0.00 N ATOM 424 CA ALA A 30 70.885 4.162 9.134 1.00 0.00 C ATOM 425 C ALA A 30 69.724 5.051 8.712 1.00 0.00 C ATOM 426 O ALA A 30 68.608 4.594 8.471 1.00 0.00 O ATOM 427 CB ALA A 30 70.472 3.372 10.381 1.00 0.00 C ATOM 0 H ALA A 30 72.347 5.009 10.385 1.00 0.00 H new ATOM 0 HA ALA A 30 71.156 3.452 8.353 1.00 0.00 H new ATOM 0 HB1 ALA A 30 69.624 2.730 10.141 1.00 0.00 H new ATOM 0 HB2 ALA A 30 71.308 2.758 10.716 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.189 4.065 11.174 1.00 0.00 H new ATOM 433 N SER A 31 70.013 6.347 8.727 1.00 0.00 N ATOM 434 CA SER A 31 69.025 7.373 8.400 1.00 0.00 C ATOM 435 C SER A 31 69.322 8.038 7.059 1.00 0.00 C ATOM 436 O SER A 31 68.643 8.992 6.680 1.00 0.00 O ATOM 437 CB SER A 31 68.959 8.424 9.510 1.00 0.00 C ATOM 438 OG SER A 31 68.588 7.790 10.725 1.00 0.00 O ATOM 0 H SER A 31 70.933 6.717 8.965 1.00 0.00 H new ATOM 0 HA SER A 31 68.056 6.881 8.318 1.00 0.00 H new ATOM 0 HB2 SER A 31 69.926 8.915 9.621 1.00 0.00 H new ATOM 0 HB3 SER A 31 68.236 9.198 9.253 1.00 0.00 H new ATOM 0 HG SER A 31 68.545 8.457 11.442 1.00 0.00 H new ATOM 444 N ASN A 32 70.422 7.652 6.416 1.00 0.00 N ATOM 445 CA ASN A 32 70.824 8.273 5.158 1.00 0.00 C ATOM 446 C ASN A 32 71.197 7.204 4.136 1.00 0.00 C ATOM 447 O ASN A 32 71.693 6.135 4.490 1.00 0.00 O ATOM 448 CB ASN A 32 72.023 9.193 5.397 1.00 0.00 C ATOM 449 CG ASN A 32 71.824 9.982 6.686 1.00 0.00 C ATOM 450 OD1 ASN A 32 72.774 10.193 7.440 1.00 0.00 O ATOM 451 ND2 ASN A 32 70.633 10.419 6.994 1.00 0.00 N ATOM 0 H ASN A 32 71.047 6.916 6.744 1.00 0.00 H new ATOM 0 HA ASN A 32 69.988 8.856 4.771 1.00 0.00 H new ATOM 0 HB2 ASN A 32 72.938 8.604 5.459 1.00 0.00 H new ATOM 0 HB3 ASN A 32 72.141 9.877 4.556 1.00 0.00 H new ATOM 0 HD21 ASN A 32 70.488 10.937 7.861 1.00 0.00 H new ATOM 0 HD22 ASN A 32 69.847 10.243 6.368 1.00 0.00 H new ATOM 458 N TYR A 33 70.982 7.518 2.862 1.00 0.00 N ATOM 459 CA TYR A 33 71.293 6.580 1.790 1.00 0.00 C ATOM 460 C TYR A 33 72.781 6.656 1.465 1.00 0.00 C ATOM 461 O TYR A 33 73.346 7.744 1.355 1.00 0.00 O ATOM 462 CB TYR A 33 70.466 6.923 0.545 1.00 0.00 C ATOM 463 CG TYR A 33 69.110 6.256 0.600 1.00 0.00 C ATOM 464 CD1 TYR A 33 68.447 6.087 1.822 1.00 0.00 C ATOM 465 CD2 TYR A 33 68.523 5.786 -0.581 1.00 0.00 C ATOM 466 CE1 TYR A 33 67.196 5.459 1.861 1.00 0.00 C ATOM 467 CE2 TYR A 33 67.271 5.161 -0.542 1.00 0.00 C ATOM 468 CZ TYR A 33 66.605 5.001 0.678 1.00 0.00 C ATOM 469 OH TYR A 33 65.369 4.389 0.717 1.00 0.00 O ATOM 0 H TYR A 33 70.596 8.409 2.549 1.00 0.00 H new ATOM 0 HA TYR A 33 71.047 5.568 2.110 1.00 0.00 H new ATOM 0 HB2 TYR A 33 70.342 8.003 0.472 1.00 0.00 H new ATOM 0 HB3 TYR A 33 70.998 6.602 -0.350 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.901 6.441 2.735 1.00 0.00 H new ATOM 0 HD2 TYR A 33 69.037 5.906 -1.523 1.00 0.00 H new ATOM 0 HE1 TYR A 33 66.687 5.328 2.804 1.00 0.00 H new ATOM 0 HE2 TYR A 33 66.819 4.802 -1.455 1.00 0.00 H new ATOM 0 HH TYR A 33 65.102 4.132 -0.190 1.00 0.00 H new ATOM 479 N VAL A 34 73.410 5.495 1.311 1.00 0.00 N ATOM 480 CA VAL A 34 74.836 5.435 1.007 1.00 0.00 C ATOM 481 C VAL A 34 75.079 4.561 -0.218 1.00 0.00 C ATOM 482 O VAL A 34 74.584 3.438 -0.307 1.00 0.00 O ATOM 483 CB VAL A 34 75.598 4.869 2.209 1.00 0.00 C ATOM 484 CG1 VAL A 34 77.103 5.033 1.973 1.00 0.00 C ATOM 485 CG2 VAL A 34 75.165 5.570 3.506 1.00 0.00 C ATOM 0 H VAL A 34 72.956 4.585 1.391 1.00 0.00 H new ATOM 0 HA VAL A 34 75.194 6.443 0.795 1.00 0.00 H new ATOM 0 HB VAL A 34 75.367 3.809 2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 34 77.651 4.632 2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 34 77.391 4.494 1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 34 77.340 6.090 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 34 75.718 5.153 4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 34 75.372 6.637 3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 34 74.097 5.418 3.663 1.00 0.00 H new ATOM 495 N GLN A 35 75.988 5.014 -1.076 1.00 0.00 N ATOM 496 CA GLN A 35 76.346 4.269 -2.278 1.00 0.00 C ATOM 497 C GLN A 35 77.814 3.870 -2.201 1.00 0.00 C ATOM 498 O GLN A 35 78.527 4.327 -1.310 1.00 0.00 O ATOM 499 CB GLN A 35 76.143 5.137 -3.520 1.00 0.00 C ATOM 500 CG GLN A 35 76.976 6.417 -3.433 1.00 0.00 C ATOM 501 CD GLN A 35 76.381 7.508 -4.318 1.00 0.00 C ATOM 502 OE1 GLN A 35 76.161 8.628 -3.858 1.00 0.00 O ATOM 503 NE2 GLN A 35 76.094 7.242 -5.563 1.00 0.00 N ATOM 0 H GLN A 35 76.490 5.894 -0.961 1.00 0.00 H new ATOM 0 HA GLN A 35 75.712 3.385 -2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 35 76.424 4.575 -4.411 1.00 0.00 H new ATOM 0 HB3 GLN A 35 75.088 5.391 -3.623 1.00 0.00 H new ATOM 0 HG2 GLN A 35 77.016 6.761 -2.400 1.00 0.00 H new ATOM 0 HG3 GLN A 35 78.001 6.211 -3.740 1.00 0.00 H new ATOM 0 HE21 GLN A 35 76.278 6.313 -5.941 1.00 0.00 H new ATOM 0 HE22 GLN A 35 75.686 7.963 -6.158 1.00 0.00 H new ATOM 512 N TRP A 36 78.223 2.925 -3.042 1.00 0.00 N ATOM 513 CA TRP A 36 79.593 2.421 -3.011 1.00 0.00 C ATOM 514 C TRP A 36 80.157 2.319 -4.423 1.00 0.00 C ATOM 515 O TRP A 36 79.516 1.767 -5.317 1.00 0.00 O ATOM 516 CB TRP A 36 79.641 1.049 -2.334 1.00 0.00 C ATOM 517 CG TRP A 36 78.874 1.095 -1.050 1.00 0.00 C ATOM 518 CD1 TRP A 36 77.539 1.281 -0.952 1.00 0.00 C ATOM 519 CD2 TRP A 36 79.359 0.901 0.312 1.00 0.00 C ATOM 520 NE1 TRP A 36 77.173 1.238 0.379 1.00 0.00 N ATOM 521 CE2 TRP A 36 78.258 1.004 1.199 1.00 0.00 C ATOM 522 CE3 TRP A 36 80.630 0.670 0.863 1.00 0.00 C ATOM 523 CZ2 TRP A 36 78.415 0.874 2.582 1.00 0.00 C ATOM 524 CZ3 TRP A 36 80.790 0.526 2.248 1.00 0.00 C ATOM 525 CH2 TRP A 36 79.690 0.639 3.108 1.00 0.00 C ATOM 0 H TRP A 36 77.629 2.494 -3.750 1.00 0.00 H new ATOM 0 HA TRP A 36 80.201 3.121 -2.438 1.00 0.00 H new ATOM 0 HB2 TRP A 36 79.219 0.292 -2.994 1.00 0.00 H new ATOM 0 HB3 TRP A 36 80.675 0.763 -2.141 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.866 1.438 -1.782 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.218 1.364 0.715 1.00 0.00 H new ATOM 0 HE3 TRP A 36 81.491 0.603 0.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 77.561 0.954 3.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 81.770 0.326 2.656 1.00 0.00 H new ATOM 0 HH2 TRP A 36 79.826 0.545 4.175 1.00 0.00 H new ATOM 536 N TYR A 37 81.301 2.959 -4.641 1.00 0.00 N ATOM 537 CA TYR A 37 81.974 2.955 -5.937 1.00 0.00 C ATOM 538 C TYR A 37 83.270 2.159 -5.849 1.00 0.00 C ATOM 539 O TYR A 37 83.896 2.084 -4.791 1.00 0.00 O ATOM 540 CB TYR A 37 82.270 4.392 -6.378 1.00 0.00 C ATOM 541 CG TYR A 37 81.061 4.994 -7.052 1.00 0.00 C ATOM 542 CD1 TYR A 37 80.876 4.841 -8.431 1.00 0.00 C ATOM 543 CD2 TYR A 37 80.138 5.727 -6.296 1.00 0.00 C ATOM 544 CE1 TYR A 37 79.756 5.406 -9.054 1.00 0.00 C ATOM 545 CE2 TYR A 37 79.027 6.303 -6.921 1.00 0.00 C ATOM 546 CZ TYR A 37 78.837 6.146 -8.300 1.00 0.00 C ATOM 547 OH TYR A 37 77.731 6.701 -8.910 1.00 0.00 O ATOM 0 H TYR A 37 81.789 3.496 -3.924 1.00 0.00 H new ATOM 0 HA TYR A 37 81.321 2.487 -6.673 1.00 0.00 H new ATOM 0 HB2 TYR A 37 82.550 4.994 -5.514 1.00 0.00 H new ATOM 0 HB3 TYR A 37 83.119 4.402 -7.062 1.00 0.00 H new ATOM 0 HD1 TYR A 37 81.597 4.287 -9.014 1.00 0.00 H new ATOM 0 HD2 TYR A 37 80.284 5.847 -5.233 1.00 0.00 H new ATOM 0 HE1 TYR A 37 79.601 5.271 -10.114 1.00 0.00 H new ATOM 0 HE2 TYR A 37 78.315 6.870 -6.340 1.00 0.00 H new ATOM 0 HH TYR A 37 77.136 5.987 -9.221 1.00 0.00 H new ATOM 557 N GLN A 38 83.652 1.540 -6.962 1.00 0.00 N ATOM 558 CA GLN A 38 84.861 0.726 -7.002 1.00 0.00 C ATOM 559 C GLN A 38 85.725 1.152 -8.183 1.00 0.00 C ATOM 560 O GLN A 38 85.321 1.036 -9.340 1.00 0.00 O ATOM 561 CB GLN A 38 84.460 -0.745 -7.151 1.00 0.00 C ATOM 562 CG GLN A 38 85.565 -1.671 -6.629 1.00 0.00 C ATOM 563 CD GLN A 38 85.378 -1.939 -5.139 1.00 0.00 C ATOM 564 OE1 GLN A 38 85.980 -1.263 -4.304 1.00 0.00 O ATOM 565 NE2 GLN A 38 84.491 -2.816 -4.758 1.00 0.00 N ATOM 0 H GLN A 38 83.144 1.586 -7.845 1.00 0.00 H new ATOM 0 HA GLN A 38 85.431 0.859 -6.083 1.00 0.00 H new ATOM 0 HB2 GLN A 38 83.536 -0.931 -6.604 1.00 0.00 H new ATOM 0 HB3 GLN A 38 84.260 -0.967 -8.199 1.00 0.00 H new ATOM 0 HG2 GLN A 38 85.549 -2.612 -7.179 1.00 0.00 H new ATOM 0 HG3 GLN A 38 86.541 -1.217 -6.803 1.00 0.00 H new ATOM 0 HE21 GLN A 38 83.994 -3.374 -5.453 1.00 0.00 H new ATOM 0 HE22 GLN A 38 84.294 -2.944 -3.765 1.00 0.00 H new ATOM 574 N GLN A 39 86.973 1.496 -7.883 1.00 0.00 N ATOM 575 CA GLN A 39 87.935 1.886 -8.905 1.00 0.00 C ATOM 576 C GLN A 39 88.915 0.742 -9.132 1.00 0.00 C ATOM 577 O GLN A 39 89.470 0.198 -8.178 1.00 0.00 O ATOM 578 CB GLN A 39 88.706 3.115 -8.419 1.00 0.00 C ATOM 579 CG GLN A 39 89.629 3.658 -9.518 1.00 0.00 C ATOM 580 CD GLN A 39 88.981 4.827 -10.255 1.00 0.00 C ATOM 581 OE1 GLN A 39 89.147 4.964 -11.467 1.00 0.00 O ATOM 582 NE2 GLN A 39 88.354 5.745 -9.571 1.00 0.00 N ATOM 0 H GLN A 39 87.343 1.512 -6.933 1.00 0.00 H new ATOM 0 HA GLN A 39 87.415 2.116 -9.835 1.00 0.00 H new ATOM 0 HB2 GLN A 39 88.004 3.891 -8.113 1.00 0.00 H new ATOM 0 HB3 GLN A 39 89.296 2.854 -7.540 1.00 0.00 H new ATOM 0 HG2 GLN A 39 90.573 3.980 -9.078 1.00 0.00 H new ATOM 0 HG3 GLN A 39 89.863 2.863 -10.226 1.00 0.00 H new ATOM 0 HE21 GLN A 39 88.218 5.629 -8.567 1.00 0.00 H new ATOM 0 HE22 GLN A 39 88.000 6.578 -10.041 1.00 0.00 H new ATOM 591 N ARG A 40 89.181 0.436 -10.398 1.00 0.00 N ATOM 592 CA ARG A 40 90.119 -0.628 -10.743 1.00 0.00 C ATOM 593 C ARG A 40 91.197 -0.096 -11.683 1.00 0.00 C ATOM 594 O ARG A 40 90.923 0.792 -12.492 1.00 0.00 O ATOM 595 CB ARG A 40 89.357 -1.776 -11.410 1.00 0.00 C ATOM 596 CG ARG A 40 88.550 -2.560 -10.364 1.00 0.00 C ATOM 597 CD ARG A 40 87.127 -2.831 -10.857 1.00 0.00 C ATOM 598 NE ARG A 40 87.149 -3.419 -12.191 1.00 0.00 N ATOM 599 CZ ARG A 40 86.076 -3.387 -12.975 1.00 0.00 C ATOM 600 NH1 ARG A 40 85.140 -2.500 -12.775 1.00 0.00 N ATOM 601 NH2 ARG A 40 85.970 -4.228 -13.968 1.00 0.00 N ATOM 0 H ARG A 40 88.762 0.907 -11.200 1.00 0.00 H new ATOM 0 HA ARG A 40 90.602 -0.992 -9.836 1.00 0.00 H new ATOM 0 HB2 ARG A 40 88.688 -1.381 -12.174 1.00 0.00 H new ATOM 0 HB3 ARG A 40 90.058 -2.443 -11.913 1.00 0.00 H new ATOM 0 HG2 ARG A 40 89.049 -3.504 -10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 40 88.514 -1.997 -9.431 1.00 0.00 H new ATOM 0 HD2 ARG A 40 86.619 -3.503 -10.166 1.00 0.00 H new ATOM 0 HD3 ARG A 40 86.559 -1.901 -10.873 1.00 0.00 H new ATOM 0 HE ARG A 40 88.003 -3.863 -12.529 1.00 0.00 H new ATOM 0 HH11 ARG A 40 85.230 -1.827 -12.014 1.00 0.00 H new ATOM 0 HH12 ARG A 40 84.319 -2.480 -13.380 1.00 0.00 H new ATOM 0 HH21 ARG A 40 86.710 -4.908 -14.141 1.00 0.00 H new ATOM 0 HH22 ARG A 40 85.147 -4.205 -14.570 1.00 0.00 H new ATOM 658 N PRO A 45 85.717 4.602 -11.826 1.00 0.00 N ATOM 659 CA PRO A 45 84.843 4.180 -10.697 1.00 0.00 C ATOM 660 C PRO A 45 83.506 3.646 -11.202 1.00 0.00 C ATOM 661 O PRO A 45 82.938 4.173 -12.159 1.00 0.00 O ATOM 662 CB PRO A 45 84.661 5.434 -9.831 1.00 0.00 C ATOM 663 CG PRO A 45 85.376 6.563 -10.506 1.00 0.00 C ATOM 664 CD PRO A 45 86.072 6.029 -11.763 1.00 0.00 C ATOM 0 HA PRO A 45 85.286 3.364 -10.126 1.00 0.00 H new ATOM 0 HB2 PRO A 45 83.603 5.667 -9.714 1.00 0.00 H new ATOM 0 HB3 PRO A 45 85.064 5.270 -8.831 1.00 0.00 H new ATOM 0 HG2 PRO A 45 84.671 7.351 -10.771 1.00 0.00 H new ATOM 0 HG3 PRO A 45 86.107 7.005 -9.829 1.00 0.00 H new ATOM 0 HD2 PRO A 45 85.735 6.558 -12.654 1.00 0.00 H new ATOM 0 HD3 PRO A 45 87.152 6.163 -11.702 1.00 0.00 H new ATOM 672 N THR A 46 82.980 2.636 -10.516 1.00 0.00 N ATOM 673 CA THR A 46 81.677 2.076 -10.855 1.00 0.00 C ATOM 674 C THR A 46 80.885 1.798 -9.582 1.00 0.00 C ATOM 675 O THR A 46 81.397 1.187 -8.645 1.00 0.00 O ATOM 676 CB THR A 46 81.865 0.779 -11.648 1.00 0.00 C ATOM 677 OG1 THR A 46 82.958 0.937 -12.540 1.00 0.00 O ATOM 678 CG2 THR A 46 80.604 0.448 -12.453 1.00 0.00 C ATOM 0 H THR A 46 83.437 2.189 -9.721 1.00 0.00 H new ATOM 0 HA THR A 46 81.126 2.792 -11.465 1.00 0.00 H new ATOM 0 HB THR A 46 82.058 -0.035 -10.950 1.00 0.00 H new ATOM 0 HG1 THR A 46 83.086 0.110 -13.050 1.00 0.00 H new ATOM 0 HG21 THR A 46 80.759 -0.477 -13.009 1.00 0.00 H new ATOM 0 HG22 THR A 46 79.760 0.326 -11.774 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.394 1.259 -13.150 1.00 0.00 H new ATOM 686 N THR A 47 79.620 2.205 -9.574 1.00 0.00 N ATOM 687 CA THR A 47 78.780 1.984 -8.404 1.00 0.00 C ATOM 688 C THR A 47 78.661 0.487 -8.138 1.00 0.00 C ATOM 689 O THR A 47 78.063 -0.237 -8.934 1.00 0.00 O ATOM 690 CB THR A 47 77.389 2.579 -8.644 1.00 0.00 C ATOM 691 OG1 THR A 47 77.535 3.940 -9.020 1.00 0.00 O ATOM 692 CG2 THR A 47 76.526 2.498 -7.379 1.00 0.00 C ATOM 0 H THR A 47 79.161 2.681 -10.350 1.00 0.00 H new ATOM 0 HA THR A 47 79.231 2.470 -7.539 1.00 0.00 H new ATOM 0 HB THR A 47 76.896 2.010 -9.432 1.00 0.00 H new ATOM 0 HG1 THR A 47 78.409 4.269 -8.723 1.00 0.00 H new ATOM 0 HG21 THR A 47 75.545 2.928 -7.580 1.00 0.00 H new ATOM 0 HG22 THR A 47 76.412 1.455 -7.083 1.00 0.00 H new ATOM 0 HG23 THR A 47 77.007 3.053 -6.574 1.00 0.00 H new ATOM 700 N VAL A 48 79.084 0.053 -6.953 1.00 0.00 N ATOM 701 CA VAL A 48 79.039 -1.372 -6.639 1.00 0.00 C ATOM 702 C VAL A 48 77.764 -1.688 -5.861 1.00 0.00 C ATOM 703 O VAL A 48 77.275 -2.814 -5.930 1.00 0.00 O ATOM 704 CB VAL A 48 80.282 -1.766 -5.823 1.00 0.00 C ATOM 705 CG1 VAL A 48 79.952 -2.727 -4.675 1.00 0.00 C ATOM 706 CG2 VAL A 48 81.316 -2.457 -6.715 1.00 0.00 C ATOM 0 H VAL A 48 79.453 0.650 -6.212 1.00 0.00 H new ATOM 0 HA VAL A 48 79.035 -1.948 -7.565 1.00 0.00 H new ATOM 0 HB VAL A 48 80.675 -0.837 -5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 48 80.865 -2.972 -4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 48 79.242 -2.253 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 48 79.514 -3.640 -5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 48 82.188 -2.728 -6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.879 -3.357 -7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 48 81.619 -1.779 -7.513 1.00 0.00 H new ATOM 716 N ILE A 49 77.211 -0.701 -5.163 1.00 0.00 N ATOM 717 CA ILE A 49 75.958 -0.866 -4.443 1.00 0.00 C ATOM 718 C ILE A 49 75.207 0.458 -4.526 1.00 0.00 C ATOM 719 O ILE A 49 75.783 1.512 -4.255 1.00 0.00 O ATOM 720 CB ILE A 49 76.259 -1.235 -2.986 1.00 0.00 C ATOM 721 CG1 ILE A 49 76.575 -2.729 -2.862 1.00 0.00 C ATOM 722 CG2 ILE A 49 75.049 -0.914 -2.107 1.00 0.00 C ATOM 723 CD1 ILE A 49 77.301 -3.009 -1.546 1.00 0.00 C ATOM 0 H ILE A 49 77.618 0.231 -5.082 1.00 0.00 H new ATOM 0 HA ILE A 49 75.351 -1.662 -4.874 1.00 0.00 H new ATOM 0 HB ILE A 49 77.122 -0.655 -2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 49 75.653 -3.308 -2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 49 77.193 -3.048 -3.701 1.00 0.00 H new ATOM 0 HG21 ILE A 49 75.270 -1.179 -1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.826 0.151 -2.169 1.00 0.00 H new ATOM 0 HG23 ILE A 49 74.187 -1.485 -2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 49 77.520 -4.074 -1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 49 78.233 -2.444 -1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 49 76.669 -2.708 -0.711 1.00 0.00 H new ATOM 735 N TYR A 50 73.883 0.368 -4.587 1.00 0.00 N ATOM 736 CA TYR A 50 73.033 1.553 -4.563 1.00 0.00 C ATOM 737 C TYR A 50 71.912 1.345 -3.551 1.00 0.00 C ATOM 738 O TYR A 50 71.826 0.288 -2.926 1.00 0.00 O ATOM 739 CB TYR A 50 72.462 1.800 -5.964 1.00 0.00 C ATOM 740 CG TYR A 50 72.101 3.256 -6.142 1.00 0.00 C ATOM 741 CD1 TYR A 50 73.053 4.146 -6.652 1.00 0.00 C ATOM 742 CD2 TYR A 50 70.812 3.707 -5.838 1.00 0.00 C ATOM 743 CE1 TYR A 50 72.730 5.497 -6.817 1.00 0.00 C ATOM 744 CE2 TYR A 50 70.488 5.060 -6.003 1.00 0.00 C ATOM 745 CZ TYR A 50 71.446 5.953 -6.497 1.00 0.00 C ATOM 746 OH TYR A 50 71.134 7.289 -6.644 1.00 0.00 O ATOM 0 H TYR A 50 73.375 -0.514 -4.653 1.00 0.00 H new ATOM 0 HA TYR A 50 73.615 2.426 -4.268 1.00 0.00 H new ATOM 0 HB2 TYR A 50 73.193 1.506 -6.717 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.579 1.179 -6.117 1.00 0.00 H new ATOM 0 HD1 TYR A 50 74.037 3.790 -6.918 1.00 0.00 H new ATOM 0 HD2 TYR A 50 70.068 3.013 -5.477 1.00 0.00 H new ATOM 0 HE1 TYR A 50 73.471 6.188 -7.191 1.00 0.00 H new ATOM 0 HE2 TYR A 50 69.500 5.414 -5.749 1.00 0.00 H new ATOM 0 HH TYR A 50 70.202 7.438 -6.380 1.00 0.00 H new ATOM 756 N GLU A 51 71.217 2.428 -3.227 1.00 0.00 N ATOM 757 CA GLU A 51 70.232 2.426 -2.153 1.00 0.00 C ATOM 758 C GLU A 51 70.771 1.708 -0.921 1.00 0.00 C ATOM 759 O GLU A 51 70.025 1.132 -0.131 1.00 0.00 O ATOM 760 CB GLU A 51 69.053 1.593 -2.674 1.00 0.00 C ATOM 761 CG GLU A 51 67.871 1.642 -1.694 1.00 0.00 C ATOM 762 CD GLU A 51 66.614 2.188 -2.365 1.00 0.00 C ATOM 763 OE1 GLU A 51 66.734 3.148 -3.108 1.00 0.00 O ATOM 764 OE2 GLU A 51 65.557 1.619 -2.149 1.00 0.00 O ATOM 0 H GLU A 51 71.319 3.327 -3.698 1.00 0.00 H new ATOM 0 HA GLU A 51 69.968 3.448 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 51 68.739 1.969 -3.648 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.368 0.560 -2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 51 67.674 0.642 -1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.130 2.267 -0.840 1.00 0.00 H new ATOM 771 N ASP A 52 72.094 1.652 -0.860 1.00 0.00 N ATOM 772 CA ASP A 52 72.829 0.978 0.203 1.00 0.00 C ATOM 773 C ASP A 52 72.160 -0.360 0.499 1.00 0.00 C ATOM 774 O ASP A 52 72.505 -1.019 1.480 1.00 0.00 O ATOM 775 CB ASP A 52 72.788 1.837 1.472 1.00 0.00 C ATOM 776 CG ASP A 52 71.453 1.699 2.199 1.00 0.00 C ATOM 777 OD1 ASP A 52 71.206 0.629 2.731 1.00 0.00 O ATOM 778 OD2 ASP A 52 70.644 2.605 2.091 1.00 0.00 O ATOM 0 H ASP A 52 72.698 2.081 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 52 73.862 0.823 -0.109 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.598 1.542 2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 52 72.955 2.882 1.211 1.00 0.00 H new ATOM 783 N ASN A 53 71.333 -0.835 -0.428 1.00 0.00 N ATOM 784 CA ASN A 53 70.758 -2.170 -0.349 1.00 0.00 C ATOM 785 C ASN A 53 70.959 -2.932 -1.652 1.00 0.00 C ATOM 786 O ASN A 53 71.130 -4.151 -1.654 1.00 0.00 O ATOM 787 CB ASN A 53 69.290 -2.015 0.059 1.00 0.00 C ATOM 788 CG ASN A 53 68.465 -3.224 -0.359 1.00 0.00 C ATOM 789 OD1 ASN A 53 68.020 -4.003 0.485 1.00 0.00 O ATOM 790 ND2 ASN A 53 68.197 -3.384 -1.625 1.00 0.00 N ATOM 0 H ASN A 53 71.045 -0.306 -1.251 1.00 0.00 H new ATOM 0 HA ASN A 53 71.263 -2.776 0.404 1.00 0.00 H new ATOM 0 HB2 ASN A 53 69.223 -1.883 1.139 1.00 0.00 H new ATOM 0 HB3 ASN A 53 68.877 -1.116 -0.398 1.00 0.00 H new ATOM 0 HD21 ASN A 53 67.612 -4.162 -1.928 1.00 0.00 H new ATOM 0 HD22 ASN A 53 68.573 -2.731 -2.312 1.00 0.00 H new ATOM 797 N GLN A 54 70.652 -2.235 -2.745 1.00 0.00 N ATOM 798 CA GLN A 54 70.480 -2.899 -4.033 1.00 0.00 C ATOM 799 C GLN A 54 71.836 -2.988 -4.722 1.00 0.00 C ATOM 800 O GLN A 54 72.698 -2.138 -4.496 1.00 0.00 O ATOM 801 CB GLN A 54 69.456 -2.197 -4.931 1.00 0.00 C ATOM 802 CG GLN A 54 70.042 -0.925 -5.546 1.00 0.00 C ATOM 803 CD GLN A 54 70.918 -1.248 -6.753 1.00 0.00 C ATOM 804 OE1 GLN A 54 70.414 -1.669 -7.794 1.00 0.00 O ATOM 805 NE2 GLN A 54 72.213 -1.118 -6.657 1.00 0.00 N ATOM 0 H GLN A 54 70.519 -1.224 -2.764 1.00 0.00 H new ATOM 0 HA GLN A 54 70.083 -3.898 -3.851 1.00 0.00 H new ATOM 0 HB2 GLN A 54 69.138 -2.874 -5.723 1.00 0.00 H new ATOM 0 HB3 GLN A 54 68.568 -1.948 -4.350 1.00 0.00 H new ATOM 0 HG2 GLN A 54 69.234 -0.258 -5.848 1.00 0.00 H new ATOM 0 HG3 GLN A 54 70.631 -0.394 -4.798 1.00 0.00 H new ATOM 0 HE21 GLN A 54 72.628 -0.769 -5.793 1.00 0.00 H new ATOM 0 HE22 GLN A 54 72.810 -1.366 -7.446 1.00 0.00 H new ATOM 814 N ARG A 55 72.051 -4.047 -5.499 1.00 0.00 N ATOM 815 CA ARG A 55 73.308 -4.223 -6.222 1.00 0.00 C ATOM 816 C ARG A 55 73.059 -4.067 -7.723 1.00 0.00 C ATOM 817 O ARG A 55 72.180 -4.741 -8.262 1.00 0.00 O ATOM 818 CB ARG A 55 73.890 -5.611 -5.915 1.00 0.00 C ATOM 819 CG ARG A 55 74.857 -5.585 -4.721 1.00 0.00 C ATOM 820 CD ARG A 55 74.135 -5.908 -3.407 1.00 0.00 C ATOM 821 NE ARG A 55 72.735 -5.499 -3.476 1.00 0.00 N ATOM 822 CZ ARG A 55 71.747 -6.292 -3.072 1.00 0.00 C ATOM 823 NH1 ARG A 55 71.669 -6.655 -1.820 1.00 0.00 N ATOM 824 NH2 ARG A 55 70.874 -6.738 -3.933 1.00 0.00 N ATOM 0 H ARG A 55 71.373 -4.795 -5.644 1.00 0.00 H new ATOM 0 HA ARG A 55 74.024 -3.466 -5.903 1.00 0.00 H new ATOM 0 HB2 ARG A 55 73.077 -6.306 -5.706 1.00 0.00 H new ATOM 0 HB3 ARG A 55 74.412 -5.987 -6.795 1.00 0.00 H new ATOM 0 HG2 ARG A 55 75.658 -6.306 -4.884 1.00 0.00 H new ATOM 0 HG3 ARG A 55 75.323 -4.602 -4.650 1.00 0.00 H new ATOM 0 HD2 ARG A 55 74.198 -6.977 -3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 55 74.628 -5.398 -2.580 1.00 0.00 H new ATOM 0 HE ARG A 55 72.508 -4.576 -3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 55 72.367 -6.330 -1.150 1.00 0.00 H new ATOM 0 HH12 ARG A 55 70.911 -7.263 -1.512 1.00 0.00 H new ATOM 0 HH21 ARG A 55 70.949 -6.478 -4.917 1.00 0.00 H new ATOM 0 HH22 ARG A 55 70.116 -7.346 -3.623 1.00 0.00 H new ATOM 838 N PRO A 56 73.840 -3.296 -8.437 1.00 0.00 N ATOM 839 CA PRO A 56 73.702 -3.203 -9.918 1.00 0.00 C ATOM 840 C PRO A 56 73.853 -4.573 -10.573 1.00 0.00 C ATOM 841 O PRO A 56 74.747 -5.340 -10.214 1.00 0.00 O ATOM 842 CB PRO A 56 74.805 -2.240 -10.382 1.00 0.00 C ATOM 843 CG PRO A 56 75.554 -1.783 -9.169 1.00 0.00 C ATOM 844 CD PRO A 56 74.961 -2.481 -7.942 1.00 0.00 C ATOM 0 HA PRO A 56 72.714 -2.841 -10.203 1.00 0.00 H new ATOM 0 HB2 PRO A 56 75.477 -2.738 -11.081 1.00 0.00 H new ATOM 0 HB3 PRO A 56 74.372 -1.388 -10.907 1.00 0.00 H new ATOM 0 HG2 PRO A 56 76.613 -2.021 -9.266 1.00 0.00 H new ATOM 0 HG3 PRO A 56 75.479 -0.701 -9.063 1.00 0.00 H new ATOM 0 HD2 PRO A 56 75.708 -3.104 -7.449 1.00 0.00 H new ATOM 0 HD3 PRO A 56 74.618 -1.753 -7.207 1.00 0.00 H new ATOM 852 N SER A 57 73.126 -4.779 -11.664 1.00 0.00 N ATOM 853 CA SER A 57 73.210 -6.040 -12.390 1.00 0.00 C ATOM 854 C SER A 57 74.526 -6.125 -13.154 1.00 0.00 C ATOM 855 O SER A 57 74.714 -7.008 -13.991 1.00 0.00 O ATOM 856 CB SER A 57 72.036 -6.163 -13.364 1.00 0.00 C ATOM 857 OG SER A 57 72.121 -5.139 -14.344 1.00 0.00 O ATOM 0 H SER A 57 72.479 -4.098 -12.062 1.00 0.00 H new ATOM 0 HA SER A 57 73.167 -6.859 -11.672 1.00 0.00 H new ATOM 0 HB2 SER A 57 72.049 -7.142 -13.844 1.00 0.00 H new ATOM 0 HB3 SER A 57 71.092 -6.086 -12.824 1.00 0.00 H new ATOM 0 HG SER A 57 71.370 -5.220 -14.968 1.00 0.00 H new ATOM 863 N GLY A 58 75.385 -5.131 -12.949 1.00 0.00 N ATOM 864 CA GLY A 58 76.671 -5.077 -13.636 1.00 0.00 C ATOM 865 C GLY A 58 77.782 -5.663 -12.770 1.00 0.00 C ATOM 866 O GLY A 58 78.813 -6.092 -13.289 1.00 0.00 O ATOM 0 H GLY A 58 75.214 -4.352 -12.313 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.609 -5.628 -14.575 1.00 0.00 H new ATOM 0 HA3 GLY A 58 76.909 -4.044 -13.888 1.00 0.00 H new ATOM 870 N VAL A 59 77.604 -5.613 -11.452 1.00 0.00 N ATOM 871 CA VAL A 59 78.611 -6.116 -10.520 1.00 0.00 C ATOM 872 C VAL A 59 78.068 -7.321 -9.752 1.00 0.00 C ATOM 873 O VAL A 59 76.896 -7.321 -9.376 1.00 0.00 O ATOM 874 CB VAL A 59 79.015 -5.004 -9.548 1.00 0.00 C ATOM 875 CG1 VAL A 59 79.167 -3.690 -10.318 1.00 0.00 C ATOM 876 CG2 VAL A 59 77.957 -4.845 -8.450 1.00 0.00 C ATOM 0 H VAL A 59 76.772 -5.229 -11.005 1.00 0.00 H new ATOM 0 HA VAL A 59 79.489 -6.434 -11.082 1.00 0.00 H new ATOM 0 HB VAL A 59 79.964 -5.266 -9.080 1.00 0.00 H new ATOM 0 HG11 VAL A 59 79.455 -2.896 -9.629 1.00 0.00 H new ATOM 0 HG12 VAL A 59 79.936 -3.803 -11.083 1.00 0.00 H new ATOM 0 HG13 VAL A 59 78.219 -3.434 -10.791 1.00 0.00 H new ATOM 0 HG21 VAL A 59 78.258 -4.051 -7.767 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.999 -4.590 -8.902 1.00 0.00 H new ATOM 0 HG23 VAL A 59 77.861 -5.781 -7.899 1.00 0.00 H new ATOM 886 N PRO A 60 78.912 -8.224 -9.324 1.00 0.00 N ATOM 887 CA PRO A 60 78.459 -9.412 -8.546 1.00 0.00 C ATOM 888 C PRO A 60 77.803 -9.006 -7.229 1.00 0.00 C ATOM 889 O PRO A 60 78.172 -7.995 -6.631 1.00 0.00 O ATOM 890 CB PRO A 60 79.726 -10.245 -8.305 1.00 0.00 C ATOM 891 CG PRO A 60 80.879 -9.510 -8.913 1.00 0.00 C ATOM 892 CD PRO A 60 80.321 -8.347 -9.737 1.00 0.00 C ATOM 0 HA PRO A 60 77.700 -9.977 -9.087 1.00 0.00 H new ATOM 0 HB2 PRO A 60 79.888 -10.394 -7.237 1.00 0.00 H new ATOM 0 HB3 PRO A 60 79.624 -11.234 -8.753 1.00 0.00 H new ATOM 0 HG2 PRO A 60 81.547 -9.139 -8.135 1.00 0.00 H new ATOM 0 HG3 PRO A 60 81.465 -10.177 -9.545 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.871 -7.426 -9.542 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.402 -8.546 -10.806 1.00 0.00 H new ATOM 900 N ASP A 61 76.774 -9.746 -6.831 1.00 0.00 N ATOM 901 CA ASP A 61 76.088 -9.469 -5.574 1.00 0.00 C ATOM 902 C ASP A 61 77.012 -9.653 -4.374 1.00 0.00 C ATOM 903 O ASP A 61 76.606 -9.434 -3.232 1.00 0.00 O ATOM 904 CB ASP A 61 74.847 -10.354 -5.434 1.00 0.00 C ATOM 905 CG ASP A 61 73.744 -9.861 -6.366 1.00 0.00 C ATOM 906 OD1 ASP A 61 73.792 -8.706 -6.757 1.00 0.00 O ATOM 907 OD2 ASP A 61 72.852 -10.639 -6.660 1.00 0.00 O ATOM 0 H ASP A 61 76.399 -10.536 -7.356 1.00 0.00 H new ATOM 0 HA ASP A 61 75.776 -8.425 -5.593 1.00 0.00 H new ATOM 0 HB2 ASP A 61 75.099 -11.388 -5.671 1.00 0.00 H new ATOM 0 HB3 ASP A 61 74.495 -10.340 -4.402 1.00 0.00 H new ATOM 912 N ARG A 62 78.245 -10.079 -4.628 1.00 0.00 N ATOM 913 CA ARG A 62 79.185 -10.354 -3.547 1.00 0.00 C ATOM 914 C ARG A 62 79.110 -9.278 -2.468 1.00 0.00 C ATOM 915 O ARG A 62 79.159 -9.582 -1.277 1.00 0.00 O ATOM 916 CB ARG A 62 80.610 -10.406 -4.101 1.00 0.00 C ATOM 917 CG ARG A 62 80.819 -11.707 -4.880 1.00 0.00 C ATOM 918 CD ARG A 62 82.084 -11.592 -5.733 1.00 0.00 C ATOM 919 NE ARG A 62 83.257 -11.480 -4.874 1.00 0.00 N ATOM 920 CZ ARG A 62 83.649 -10.306 -4.387 1.00 0.00 C ATOM 921 NH1 ARG A 62 83.815 -9.289 -5.187 1.00 0.00 N ATOM 922 NH2 ARG A 62 83.843 -10.164 -3.104 1.00 0.00 N ATOM 0 H ARG A 62 78.615 -10.240 -5.565 1.00 0.00 H new ATOM 0 HA ARG A 62 78.919 -11.314 -3.105 1.00 0.00 H new ATOM 0 HB2 ARG A 62 80.788 -9.550 -4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 62 81.329 -10.341 -3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 62 80.907 -12.546 -4.190 1.00 0.00 H new ATOM 0 HG3 ARG A 62 79.956 -11.906 -5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 62 82.178 -12.465 -6.378 1.00 0.00 H new ATOM 0 HD3 ARG A 62 82.015 -10.720 -6.384 1.00 0.00 H new ATOM 0 HE ARG A 62 83.788 -12.319 -4.642 1.00 0.00 H new ATOM 0 HH11 ARG A 62 83.644 -9.394 -6.187 1.00 0.00 H new ATOM 0 HH12 ARG A 62 84.116 -8.389 -4.812 1.00 0.00 H new ATOM 0 HH21 ARG A 62 83.694 -10.953 -2.475 1.00 0.00 H new ATOM 0 HH22 ARG A 62 84.144 -9.264 -2.730 1.00 0.00 H new ATOM 936 N PHE A 63 78.944 -8.029 -2.892 1.00 0.00 N ATOM 937 CA PHE A 63 78.885 -6.922 -1.945 1.00 0.00 C ATOM 938 C PHE A 63 77.527 -6.892 -1.255 1.00 0.00 C ATOM 939 O PHE A 63 76.491 -7.038 -1.904 1.00 0.00 O ATOM 940 CB PHE A 63 79.134 -5.595 -2.668 1.00 0.00 C ATOM 941 CG PHE A 63 80.138 -5.805 -3.775 1.00 0.00 C ATOM 942 CD1 PHE A 63 81.506 -5.656 -3.518 1.00 0.00 C ATOM 943 CD2 PHE A 63 79.695 -6.125 -5.064 1.00 0.00 C ATOM 944 CE1 PHE A 63 82.434 -5.825 -4.552 1.00 0.00 C ATOM 945 CE2 PHE A 63 80.621 -6.258 -6.105 1.00 0.00 C ATOM 946 CZ PHE A 63 81.991 -6.130 -5.845 1.00 0.00 C ATOM 0 H PHE A 63 78.849 -7.761 -3.871 1.00 0.00 H new ATOM 0 HA PHE A 63 79.660 -7.065 -1.192 1.00 0.00 H new ATOM 0 HB2 PHE A 63 78.200 -5.211 -3.078 1.00 0.00 H new ATOM 0 HB3 PHE A 63 79.503 -4.849 -1.964 1.00 0.00 H new ATOM 0 HD1 PHE A 63 81.845 -5.411 -2.522 1.00 0.00 H new ATOM 0 HD2 PHE A 63 78.642 -6.269 -5.254 1.00 0.00 H new ATOM 0 HE1 PHE A 63 83.490 -5.720 -4.353 1.00 0.00 H new ATOM 0 HE2 PHE A 63 80.279 -6.459 -7.109 1.00 0.00 H new ATOM 0 HZ PHE A 63 82.707 -6.267 -6.642 1.00 0.00 H new ATOM 956 N SER A 64 77.534 -6.657 0.054 1.00 0.00 N ATOM 957 CA SER A 64 76.289 -6.580 0.810 1.00 0.00 C ATOM 958 C SER A 64 76.232 -5.316 1.654 1.00 0.00 C ATOM 959 O SER A 64 76.821 -5.274 2.729 1.00 0.00 O ATOM 960 CB SER A 64 76.129 -7.810 1.706 1.00 0.00 C ATOM 961 OG SER A 64 74.759 -8.002 2.025 1.00 0.00 O ATOM 0 H SER A 64 78.379 -6.518 0.608 1.00 0.00 H new ATOM 0 HA SER A 64 75.469 -6.551 0.093 1.00 0.00 H new ATOM 0 HB2 SER A 64 76.520 -8.692 1.200 1.00 0.00 H new ATOM 0 HB3 SER A 64 76.710 -7.683 2.620 1.00 0.00 H new ATOM 0 HG SER A 64 74.664 -8.792 2.597 1.00 0.00 H new ATOM 967 N GLY A 65 75.175 -4.559 1.398 1.00 0.00 N ATOM 968 CA GLY A 65 74.932 -3.291 2.072 1.00 0.00 C ATOM 969 C GLY A 65 73.839 -3.451 3.121 1.00 0.00 C ATOM 970 O GLY A 65 72.795 -4.047 2.854 1.00 0.00 O ATOM 0 H GLY A 65 74.459 -4.807 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 65 75.850 -2.940 2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 65 74.639 -2.535 1.344 1.00 0.00 H new ATOM 974 N SER A 66 74.116 -2.989 4.336 1.00 0.00 N ATOM 975 CA SER A 66 73.158 -3.133 5.426 1.00 0.00 C ATOM 976 C SER A 66 73.423 -2.116 6.531 1.00 0.00 C ATOM 977 O SER A 66 74.504 -1.533 6.618 1.00 0.00 O ATOM 978 CB SER A 66 73.243 -4.549 5.998 1.00 0.00 C ATOM 979 OG SER A 66 74.329 -4.631 6.910 1.00 0.00 O ATOM 0 H SER A 66 74.984 -2.518 4.589 1.00 0.00 H new ATOM 0 HA SER A 66 72.159 -2.952 5.030 1.00 0.00 H new ATOM 0 HB2 SER A 66 72.311 -4.805 6.503 1.00 0.00 H new ATOM 0 HB3 SER A 66 73.377 -5.270 5.192 1.00 0.00 H new ATOM 0 HG SER A 66 75.076 -4.091 6.578 1.00 0.00 H new ATOM 985 N ILE A 67 72.397 -1.849 7.332 1.00 0.00 N ATOM 986 CA ILE A 67 72.491 -0.872 8.411 1.00 0.00 C ATOM 987 C ILE A 67 71.883 -1.428 9.694 1.00 0.00 C ATOM 988 O ILE A 67 71.454 -2.581 9.727 1.00 0.00 O ATOM 989 CB ILE A 67 71.729 0.402 8.028 1.00 0.00 C ATOM 990 CG1 ILE A 67 70.449 0.001 7.281 1.00 0.00 C ATOM 991 CG2 ILE A 67 72.610 1.332 7.179 1.00 0.00 C ATOM 992 CD1 ILE A 67 69.323 0.993 7.581 1.00 0.00 C ATOM 0 H ILE A 67 71.485 -2.299 7.253 1.00 0.00 H new ATOM 0 HA ILE A 67 73.545 -0.649 8.574 1.00 0.00 H new ATOM 0 HB ILE A 67 71.460 0.957 8.927 1.00 0.00 H new ATOM 0 HG12 ILE A 67 70.640 -0.028 6.208 1.00 0.00 H new ATOM 0 HG13 ILE A 67 70.146 -1.003 7.578 1.00 0.00 H new ATOM 0 HG21 ILE A 67 72.048 2.229 6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 67 73.497 1.612 7.747 1.00 0.00 H new ATOM 0 HG23 ILE A 67 72.911 0.816 6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 67 68.423 0.695 7.044 1.00 0.00 H new ATOM 0 HD12 ILE A 67 69.121 1.001 8.652 1.00 0.00 H new ATOM 0 HD13 ILE A 67 69.622 1.991 7.261 1.00 0.00 H new ATOM 1004 N ASP A 68 72.286 -0.782 10.782 1.00 0.00 N ATOM 1005 CA ASP A 68 71.790 -1.110 12.117 1.00 0.00 C ATOM 1006 C ASP A 68 70.840 -0.049 12.669 1.00 0.00 C ATOM 1007 O ASP A 68 71.009 1.141 12.405 1.00 0.00 O ATOM 1008 CB ASP A 68 72.987 -1.322 13.044 1.00 0.00 C ATOM 1009 CG ASP A 68 73.995 -2.219 12.333 1.00 0.00 C ATOM 1010 OD1 ASP A 68 73.565 -3.186 11.724 1.00 0.00 O ATOM 1011 OD2 ASP A 68 75.145 -1.822 12.242 1.00 0.00 O ATOM 0 H ASP A 68 72.963 -0.019 10.766 1.00 0.00 H new ATOM 0 HA ASP A 68 71.203 -2.026 12.053 1.00 0.00 H new ATOM 0 HB2 ASP A 68 73.444 -0.365 13.298 1.00 0.00 H new ATOM 0 HB3 ASP A 68 72.666 -1.780 13.979 1.00 0.00 H new ATOM 1016 N SER A 69 69.942 -0.463 13.558 1.00 0.00 N ATOM 1017 CA SER A 69 69.050 0.476 14.230 1.00 0.00 C ATOM 1018 C SER A 69 69.829 1.383 15.180 1.00 0.00 C ATOM 1019 O SER A 69 69.244 2.216 15.873 1.00 0.00 O ATOM 1020 CB SER A 69 67.964 -0.290 14.992 1.00 0.00 C ATOM 1021 OG SER A 69 66.762 0.467 14.994 1.00 0.00 O ATOM 0 H SER A 69 69.813 -1.438 13.829 1.00 0.00 H new ATOM 0 HA SER A 69 68.578 1.105 13.476 1.00 0.00 H new ATOM 0 HB2 SER A 69 67.794 -1.261 14.526 1.00 0.00 H new ATOM 0 HB3 SER A 69 68.288 -0.480 16.015 1.00 0.00 H new ATOM 0 HG SER A 69 66.067 -0.024 15.480 1.00 0.00 H new ATOM 1027 N SER A 70 71.126 1.121 15.311 1.00 0.00 N ATOM 1028 CA SER A 70 71.967 1.901 16.212 1.00 0.00 C ATOM 1029 C SER A 70 72.080 3.348 15.744 1.00 0.00 C ATOM 1030 O SER A 70 71.958 4.278 16.542 1.00 0.00 O ATOM 1031 CB SER A 70 73.363 1.278 16.284 1.00 0.00 C ATOM 1032 OG SER A 70 73.261 -0.062 16.744 1.00 0.00 O ATOM 0 H SER A 70 71.615 0.380 14.808 1.00 0.00 H new ATOM 0 HA SER A 70 71.506 1.893 17.200 1.00 0.00 H new ATOM 0 HB2 SER A 70 73.834 1.301 15.301 1.00 0.00 H new ATOM 0 HB3 SER A 70 73.997 1.857 16.956 1.00 0.00 H new ATOM 0 HG SER A 70 74.155 -0.462 16.788 1.00 0.00 H new ATOM 1038 N SER A 71 72.329 3.533 14.451 1.00 0.00 N ATOM 1039 CA SER A 71 72.490 4.870 13.890 1.00 0.00 C ATOM 1040 C SER A 71 73.915 5.373 14.107 1.00 0.00 C ATOM 1041 O SER A 71 74.147 6.577 14.215 1.00 0.00 O ATOM 1042 CB SER A 71 71.472 5.840 14.498 1.00 0.00 C ATOM 1043 OG SER A 71 70.308 5.114 14.868 1.00 0.00 O ATOM 0 H SER A 71 72.423 2.776 13.774 1.00 0.00 H new ATOM 0 HA SER A 71 72.306 4.816 12.817 1.00 0.00 H new ATOM 0 HB2 SER A 71 71.899 6.337 15.369 1.00 0.00 H new ATOM 0 HB3 SER A 71 71.218 6.619 13.779 1.00 0.00 H new ATOM 0 HG SER A 71 70.359 4.875 15.817 1.00 0.00 H new ATOM 1049 N ASN A 72 74.851 4.441 14.259 1.00 0.00 N ATOM 1050 CA ASN A 72 76.244 4.787 14.528 1.00 0.00 C ATOM 1051 C ASN A 72 77.082 4.709 13.256 1.00 0.00 C ATOM 1052 O ASN A 72 78.007 5.500 13.073 1.00 0.00 O ATOM 1053 CB ASN A 72 76.820 3.831 15.575 1.00 0.00 C ATOM 1054 CG ASN A 72 78.098 4.413 16.170 1.00 0.00 C ATOM 1055 OD1 ASN A 72 78.620 5.408 15.667 1.00 0.00 O ATOM 1056 ND2 ASN A 72 78.625 3.860 17.228 1.00 0.00 N ATOM 0 H ASN A 72 74.670 3.439 14.200 1.00 0.00 H new ATOM 0 HA ASN A 72 76.275 5.810 14.902 1.00 0.00 H new ATOM 0 HB2 ASN A 72 76.088 3.659 16.364 1.00 0.00 H new ATOM 0 HB3 ASN A 72 77.030 2.863 15.119 1.00 0.00 H new ATOM 0 HD21 ASN A 72 79.472 4.252 17.640 1.00 0.00 H new ATOM 0 HD22 ASN A 72 78.190 3.036 17.643 1.00 0.00 H new ATOM 1063 N SER A 73 76.800 3.726 12.405 1.00 0.00 N ATOM 1064 CA SER A 73 77.524 3.623 11.143 1.00 0.00 C ATOM 1065 C SER A 73 76.840 2.663 10.174 1.00 0.00 C ATOM 1066 O SER A 73 76.107 1.771 10.601 1.00 0.00 O ATOM 1067 CB SER A 73 78.954 3.158 11.422 1.00 0.00 C ATOM 1068 OG SER A 73 78.937 1.805 11.854 1.00 0.00 O ATOM 0 H SER A 73 76.094 3.007 12.560 1.00 0.00 H new ATOM 0 HA SER A 73 77.535 4.606 10.673 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.561 3.256 10.522 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.410 3.789 12.185 1.00 0.00 H new ATOM 0 HG SER A 73 79.854 1.507 12.031 1.00 0.00 H new ATOM 1074 N ALA A 74 77.364 2.588 8.954 1.00 0.00 N ATOM 1075 CA ALA A 74 76.759 1.748 7.923 1.00 0.00 C ATOM 1076 C ALA A 74 77.655 0.544 7.644 1.00 0.00 C ATOM 1077 O ALA A 74 78.849 0.691 7.383 1.00 0.00 O ATOM 1078 CB ALA A 74 76.578 2.556 6.635 1.00 0.00 C ATOM 0 H ALA A 74 78.198 3.093 8.656 1.00 0.00 H new ATOM 0 HA ALA A 74 75.787 1.402 8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 74 76.127 1.925 5.870 1.00 0.00 H new ATOM 0 HB2 ALA A 74 75.930 3.410 6.830 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.549 2.909 6.288 1.00 0.00 H new ATOM 1084 N SER A 75 77.073 -0.645 7.794 1.00 0.00 N ATOM 1085 CA SER A 75 77.837 -1.896 7.772 1.00 0.00 C ATOM 1086 C SER A 75 77.526 -2.756 6.548 1.00 0.00 C ATOM 1087 O SER A 75 76.405 -2.666 6.050 1.00 0.00 O ATOM 1088 CB SER A 75 77.512 -2.735 9.010 1.00 0.00 C ATOM 1089 OG SER A 75 77.410 -1.892 10.147 1.00 0.00 O ATOM 0 H SER A 75 76.070 -0.771 7.933 1.00 0.00 H new ATOM 0 HA SER A 75 78.888 -1.607 7.746 1.00 0.00 H new ATOM 0 HB2 SER A 75 76.577 -3.274 8.860 1.00 0.00 H new ATOM 0 HB3 SER A 75 78.289 -3.483 9.168 1.00 0.00 H new ATOM 0 HG SER A 75 76.581 -2.093 10.630 1.00 0.00 H new ATOM 1095 N LEU A 76 78.558 -2.944 5.735 1.00 0.00 N ATOM 1096 CA LEU A 76 78.548 -3.875 4.608 1.00 0.00 C ATOM 1097 C LEU A 76 79.180 -5.248 4.847 1.00 0.00 C ATOM 1098 O LEU A 76 80.314 -5.305 5.315 1.00 0.00 O ATOM 1099 CB LEU A 76 79.131 -3.133 3.409 1.00 0.00 C ATOM 1100 CG LEU A 76 79.411 -4.075 2.226 1.00 0.00 C ATOM 1101 CD1 LEU A 76 78.803 -3.492 0.948 1.00 0.00 C ATOM 1102 CD2 LEU A 76 80.923 -4.212 2.017 1.00 0.00 C ATOM 0 H LEU A 76 79.442 -2.446 5.840 1.00 0.00 H new ATOM 0 HA LEU A 76 77.514 -4.166 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 76 78.438 -2.353 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 76 80.056 -2.638 3.704 1.00 0.00 H new ATOM 0 HG LEU A 76 78.972 -5.049 2.444 1.00 0.00 H new ATOM 0 HD11 LEU A 76 79.003 -4.162 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 76 77.726 -3.382 1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 76 79.246 -2.517 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 76 81.115 -4.880 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 76 81.351 -3.232 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 76 81.379 -4.621 2.918 1.00 0.00 H new ATOM 1114 N THR A 77 78.590 -6.323 4.324 1.00 0.00 N ATOM 1115 CA THR A 77 79.277 -7.613 4.213 1.00 0.00 C ATOM 1116 C THR A 77 79.562 -8.030 2.767 1.00 0.00 C ATOM 1117 O THR A 77 78.655 -8.380 2.014 1.00 0.00 O ATOM 1118 CB THR A 77 78.387 -8.644 4.907 1.00 0.00 C ATOM 1119 OG1 THR A 77 78.481 -8.470 6.314 1.00 0.00 O ATOM 1120 CG2 THR A 77 78.790 -10.078 4.550 1.00 0.00 C ATOM 0 H THR A 77 77.634 -6.327 3.969 1.00 0.00 H new ATOM 0 HA THR A 77 80.258 -7.537 4.683 1.00 0.00 H new ATOM 0 HB THR A 77 77.363 -8.488 4.567 1.00 0.00 H new ATOM 0 HG1 THR A 77 79.363 -8.109 6.541 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.133 -10.779 5.064 1.00 0.00 H new ATOM 0 HG22 THR A 77 78.704 -10.223 3.473 1.00 0.00 H new ATOM 0 HG23 THR A 77 79.821 -10.254 4.859 1.00 0.00 H new ATOM 1128 N ILE A 78 80.820 -8.359 2.491 1.00 0.00 N ATOM 1129 CA ILE A 78 81.213 -8.948 1.210 1.00 0.00 C ATOM 1130 C ILE A 78 81.290 -10.468 1.323 1.00 0.00 C ATOM 1131 O ILE A 78 82.219 -11.011 1.921 1.00 0.00 O ATOM 1132 CB ILE A 78 82.557 -8.351 0.761 1.00 0.00 C ATOM 1133 CG1 ILE A 78 82.338 -7.011 0.042 1.00 0.00 C ATOM 1134 CG2 ILE A 78 83.314 -9.311 -0.166 1.00 0.00 C ATOM 1135 CD1 ILE A 78 83.398 -5.988 0.457 1.00 0.00 C ATOM 0 H ILE A 78 81.593 -8.227 3.143 1.00 0.00 H new ATOM 0 HA ILE A 78 80.461 -8.713 0.457 1.00 0.00 H new ATOM 0 HB ILE A 78 83.157 -8.188 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 78 82.376 -7.162 -1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 78 81.345 -6.627 0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 78 84.259 -8.858 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 78 83.509 -10.246 0.359 1.00 0.00 H new ATOM 0 HG23 ILE A 78 82.712 -9.512 -1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 78 83.221 -5.048 -0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 78 83.341 -5.821 1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 78 84.388 -6.365 0.200 1.00 0.00 H new ATOM 1147 N SER A 79 80.423 -11.142 0.573 1.00 0.00 N ATOM 1148 CA SER A 79 80.428 -12.600 0.493 1.00 0.00 C ATOM 1149 C SER A 79 81.204 -13.064 -0.737 1.00 0.00 C ATOM 1150 O SER A 79 80.936 -12.620 -1.853 1.00 0.00 O ATOM 1151 CB SER A 79 78.982 -13.110 0.434 1.00 0.00 C ATOM 1152 OG SER A 79 78.814 -14.005 -0.656 1.00 0.00 O ATOM 0 H SER A 79 79.701 -10.697 0.007 1.00 0.00 H new ATOM 0 HA SER A 79 80.918 -13.006 1.378 1.00 0.00 H new ATOM 0 HB2 SER A 79 78.729 -13.613 1.367 1.00 0.00 H new ATOM 0 HB3 SER A 79 78.297 -12.268 0.330 1.00 0.00 H new ATOM 0 HG SER A 79 77.887 -14.322 -0.679 1.00 0.00 H new ATOM 1158 N GLY A 80 82.096 -14.030 -0.541 1.00 0.00 N ATOM 1159 CA GLY A 80 82.840 -14.608 -1.654 1.00 0.00 C ATOM 1160 C GLY A 80 83.941 -13.664 -2.125 1.00 0.00 C ATOM 1161 O GLY A 80 83.916 -13.182 -3.257 1.00 0.00 O ATOM 0 H GLY A 80 82.320 -14.427 0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 80 83.277 -15.559 -1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 80 82.160 -14.820 -2.479 1.00 0.00 H new ATOM 1165 N LEU A 81 84.875 -13.358 -1.231 1.00 0.00 N ATOM 1166 CA LEU A 81 85.976 -12.462 -1.563 1.00 0.00 C ATOM 1167 C LEU A 81 87.047 -13.186 -2.371 1.00 0.00 C ATOM 1168 O LEU A 81 87.480 -14.280 -2.012 1.00 0.00 O ATOM 1169 CB LEU A 81 86.583 -11.898 -0.276 1.00 0.00 C ATOM 1170 CG LEU A 81 87.836 -11.059 -0.578 1.00 0.00 C ATOM 1171 CD1 LEU A 81 87.861 -9.808 0.305 1.00 0.00 C ATOM 1172 CD2 LEU A 81 89.121 -11.860 -0.346 1.00 0.00 C ATOM 0 H LEU A 81 84.892 -13.715 -0.276 1.00 0.00 H new ATOM 0 HA LEU A 81 85.587 -11.646 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 81 85.845 -11.283 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 81 86.842 -12.716 0.397 1.00 0.00 H new ATOM 0 HG LEU A 81 87.790 -10.773 -1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 81 88.753 -9.223 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 81 86.974 -9.206 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 81 87.874 -10.103 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 81 89.985 -11.234 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 81 89.166 -12.182 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 81 89.128 -12.734 -0.997 1.00 0.00 H new ATOM 1184 N LYS A 82 87.455 -12.571 -3.476 1.00 0.00 N ATOM 1185 CA LYS A 82 88.463 -13.167 -4.346 1.00 0.00 C ATOM 1186 C LYS A 82 89.198 -12.079 -5.118 1.00 0.00 C ATOM 1187 O LYS A 82 88.791 -10.919 -5.110 1.00 0.00 O ATOM 1188 CB LYS A 82 87.788 -14.161 -5.305 1.00 0.00 C ATOM 1189 CG LYS A 82 88.281 -15.589 -5.055 1.00 0.00 C ATOM 1190 CD LYS A 82 87.271 -16.616 -5.577 1.00 0.00 C ATOM 1191 CE LYS A 82 87.673 -18.038 -5.167 1.00 0.00 C ATOM 1192 NZ LYS A 82 88.435 -18.678 -6.276 1.00 0.00 N ATOM 0 H LYS A 82 87.106 -11.665 -3.789 1.00 0.00 H new ATOM 0 HA LYS A 82 89.194 -13.705 -3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 82 86.707 -14.118 -5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 82 87.997 -13.876 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 82 89.243 -15.737 -5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 82 88.441 -15.741 -3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 82 86.279 -16.387 -5.186 1.00 0.00 H new ATOM 0 HD3 LYS A 82 87.209 -16.551 -6.663 1.00 0.00 H new ATOM 0 HE2 LYS A 82 88.281 -18.009 -4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 82 86.785 -18.626 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 88.708 -19.642 -5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 87.840 -18.718 -7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 89.290 -18.121 -6.477 1.00 0.00 H new ATOM 1206 N THR A 83 90.195 -12.495 -5.892 1.00 0.00 N ATOM 1207 CA THR A 83 90.943 -11.559 -6.721 1.00 0.00 C ATOM 1208 C THR A 83 89.970 -10.637 -7.443 1.00 0.00 C ATOM 1209 O THR A 83 90.348 -9.577 -7.943 1.00 0.00 O ATOM 1210 CB THR A 83 91.799 -12.313 -7.743 1.00 0.00 C ATOM 1211 OG1 THR A 83 91.991 -11.497 -8.890 1.00 0.00 O ATOM 1212 CG2 THR A 83 91.092 -13.607 -8.152 1.00 0.00 C ATOM 0 H THR A 83 90.501 -13.465 -5.962 1.00 0.00 H new ATOM 0 HA THR A 83 91.603 -10.970 -6.084 1.00 0.00 H new ATOM 0 HB THR A 83 92.765 -12.554 -7.299 1.00 0.00 H new ATOM 0 HG1 THR A 83 92.540 -11.977 -9.545 1.00 0.00 H new ATOM 0 HG21 THR A 83 91.703 -14.141 -8.879 1.00 0.00 H new ATOM 0 HG22 THR A 83 90.943 -14.234 -7.273 1.00 0.00 H new ATOM 0 HG23 THR A 83 90.125 -13.369 -8.596 1.00 0.00 H new ATOM 1220 N GLU A 84 88.719 -11.080 -7.525 1.00 0.00 N ATOM 1221 CA GLU A 84 87.690 -10.259 -8.152 1.00 0.00 C ATOM 1222 C GLU A 84 87.323 -9.068 -7.273 1.00 0.00 C ATOM 1223 O GLU A 84 87.145 -7.954 -7.767 1.00 0.00 O ATOM 1224 CB GLU A 84 86.442 -11.101 -8.420 1.00 0.00 C ATOM 1225 CG GLU A 84 86.849 -12.377 -9.159 1.00 0.00 C ATOM 1226 CD GLU A 84 85.607 -13.117 -9.642 1.00 0.00 C ATOM 1227 OE1 GLU A 84 84.650 -13.184 -8.888 1.00 0.00 O ATOM 1228 OE2 GLU A 84 85.634 -13.614 -10.756 1.00 0.00 O ATOM 0 H GLU A 84 88.398 -11.982 -7.174 1.00 0.00 H new ATOM 0 HA GLU A 84 88.088 -9.882 -9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 84 85.948 -11.351 -7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 84 85.726 -10.534 -9.015 1.00 0.00 H new ATOM 0 HG2 GLU A 84 87.487 -12.128 -10.007 1.00 0.00 H new ATOM 0 HG3 GLU A 84 87.432 -13.019 -8.499 1.00 0.00 H new ATOM 1235 N ASP A 85 87.284 -9.289 -5.963 1.00 0.00 N ATOM 1236 CA ASP A 85 86.939 -8.221 -5.033 1.00 0.00 C ATOM 1237 C ASP A 85 88.108 -7.253 -4.889 1.00 0.00 C ATOM 1238 O ASP A 85 87.922 -6.094 -4.519 1.00 0.00 O ATOM 1239 CB ASP A 85 86.606 -8.825 -3.666 1.00 0.00 C ATOM 1240 CG ASP A 85 85.688 -7.896 -2.878 1.00 0.00 C ATOM 1241 OD1 ASP A 85 84.649 -7.539 -3.407 1.00 0.00 O ATOM 1242 OD2 ASP A 85 86.029 -7.574 -1.752 1.00 0.00 O ATOM 0 H ASP A 85 87.485 -10.188 -5.525 1.00 0.00 H new ATOM 0 HA ASP A 85 86.074 -7.680 -5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 85 86.125 -9.794 -3.798 1.00 0.00 H new ATOM 0 HB3 ASP A 85 87.525 -8.999 -3.106 1.00 0.00 H new ATOM 1247 N GLU A 86 89.267 -7.677 -5.383 1.00 0.00 N ATOM 1248 CA GLU A 86 90.459 -6.841 -5.321 1.00 0.00 C ATOM 1249 C GLU A 86 90.194 -5.507 -6.006 1.00 0.00 C ATOM 1250 O GLU A 86 89.836 -5.476 -7.183 1.00 0.00 O ATOM 1251 CB GLU A 86 91.620 -7.540 -6.031 1.00 0.00 C ATOM 1252 CG GLU A 86 92.913 -6.760 -5.782 1.00 0.00 C ATOM 1253 CD GLU A 86 94.079 -7.449 -6.483 1.00 0.00 C ATOM 1254 OE1 GLU A 86 93.826 -8.367 -7.245 1.00 0.00 O ATOM 1255 OE2 GLU A 86 95.208 -7.066 -6.225 1.00 0.00 O ATOM 0 H GLU A 86 89.405 -8.585 -5.826 1.00 0.00 H new ATOM 0 HA GLU A 86 90.714 -6.672 -4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 86 91.722 -8.561 -5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.421 -7.603 -7.101 1.00 0.00 H new ATOM 0 HG2 GLU A 86 92.808 -5.739 -6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.108 -6.695 -4.712 1.00 0.00 H new ATOM 1262 N ALA A 87 90.389 -4.421 -5.265 1.00 0.00 N ATOM 1263 CA ALA A 87 90.253 -3.075 -5.812 1.00 0.00 C ATOM 1264 C ALA A 87 90.060 -2.073 -4.677 1.00 0.00 C ATOM 1265 O ALA A 87 90.101 -2.440 -3.502 1.00 0.00 O ATOM 1266 CB ALA A 87 89.066 -2.993 -6.777 1.00 0.00 C ATOM 0 H ALA A 87 90.643 -4.447 -4.278 1.00 0.00 H new ATOM 0 HA ALA A 87 91.163 -2.836 -6.362 1.00 0.00 H new ATOM 0 HB1 ALA A 87 88.986 -1.980 -7.171 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.217 -3.691 -7.600 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.148 -3.250 -6.248 1.00 0.00 H new ATOM 1272 N ASP A 88 89.953 -0.796 -5.031 1.00 0.00 N ATOM 1273 CA ASP A 88 89.727 0.260 -4.050 1.00 0.00 C ATOM 1274 C ASP A 88 88.236 0.530 -3.865 1.00 0.00 C ATOM 1275 O ASP A 88 87.474 0.534 -4.832 1.00 0.00 O ATOM 1276 CB ASP A 88 90.442 1.532 -4.507 1.00 0.00 C ATOM 1277 CG ASP A 88 91.949 1.368 -4.339 1.00 0.00 C ATOM 1278 OD1 ASP A 88 92.357 0.349 -3.806 1.00 0.00 O ATOM 1279 OD2 ASP A 88 92.671 2.273 -4.723 1.00 0.00 O ATOM 0 H ASP A 88 90.020 -0.467 -5.994 1.00 0.00 H new ATOM 0 HA ASP A 88 90.128 -0.062 -3.089 1.00 0.00 H new ATOM 0 HB2 ASP A 88 90.204 1.739 -5.550 1.00 0.00 H new ATOM 0 HB3 ASP A 88 90.093 2.385 -3.925 1.00 0.00 H new ATOM 1284 N TYR A 89 87.837 0.848 -2.636 1.00 0.00 N ATOM 1285 CA TYR A 89 86.433 1.103 -2.320 1.00 0.00 C ATOM 1286 C TYR A 89 86.215 2.580 -1.999 1.00 0.00 C ATOM 1287 O TYR A 89 87.080 3.237 -1.421 1.00 0.00 O ATOM 1288 CB TYR A 89 86.011 0.254 -1.116 1.00 0.00 C ATOM 1289 CG TYR A 89 85.761 -1.174 -1.543 1.00 0.00 C ATOM 1290 CD1 TYR A 89 86.836 -1.980 -1.936 1.00 0.00 C ATOM 1291 CD2 TYR A 89 84.478 -1.726 -1.436 1.00 0.00 C ATOM 1292 CE1 TYR A 89 86.612 -3.311 -2.306 1.00 0.00 C ATOM 1293 CE2 TYR A 89 84.258 -3.066 -1.776 1.00 0.00 C ATOM 1294 CZ TYR A 89 85.320 -3.846 -2.249 1.00 0.00 C ATOM 1295 OH TYR A 89 85.098 -5.151 -2.639 1.00 0.00 O ATOM 0 H TYR A 89 88.468 0.936 -1.840 1.00 0.00 H new ATOM 0 HA TYR A 89 85.829 0.837 -3.188 1.00 0.00 H new ATOM 0 HB2 TYR A 89 86.788 0.282 -0.353 1.00 0.00 H new ATOM 0 HB3 TYR A 89 85.109 0.670 -0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 89 87.837 -1.575 -1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 89 83.656 -1.116 -1.090 1.00 0.00 H new ATOM 0 HE1 TYR A 89 87.437 -3.926 -2.636 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.273 -3.496 -1.674 1.00 0.00 H new ATOM 0 HH TYR A 89 85.488 -5.761 -1.978 1.00 0.00 H new ATOM 1305 N TYR A 90 85.004 3.057 -2.277 1.00 0.00 N ATOM 1306 CA TYR A 90 84.624 4.439 -1.999 1.00 0.00 C ATOM 1307 C TYR A 90 83.129 4.509 -1.692 1.00 0.00 C ATOM 1308 O TYR A 90 82.358 3.814 -2.353 1.00 0.00 O ATOM 1309 CB TYR A 90 84.955 5.309 -3.216 1.00 0.00 C ATOM 1310 CG TYR A 90 86.383 5.071 -3.651 1.00 0.00 C ATOM 1311 CD1 TYR A 90 86.692 3.984 -4.478 1.00 0.00 C ATOM 1312 CD2 TYR A 90 87.378 6.001 -3.327 1.00 0.00 C ATOM 1313 CE1 TYR A 90 88.016 3.760 -4.875 1.00 0.00 C ATOM 1314 CE2 TYR A 90 88.700 5.787 -3.738 1.00 0.00 C ATOM 1315 CZ TYR A 90 89.022 4.663 -4.508 1.00 0.00 C ATOM 1316 OH TYR A 90 90.319 4.471 -4.938 1.00 0.00 O ATOM 0 H TYR A 90 84.262 2.499 -2.699 1.00 0.00 H new ATOM 0 HA TYR A 90 85.178 4.806 -1.135 1.00 0.00 H new ATOM 0 HB2 TYR A 90 84.274 5.077 -4.035 1.00 0.00 H new ATOM 0 HB3 TYR A 90 84.812 6.361 -2.970 1.00 0.00 H new ATOM 0 HD1 TYR A 90 85.909 3.318 -4.810 1.00 0.00 H new ATOM 0 HD2 TYR A 90 87.126 6.885 -2.759 1.00 0.00 H new ATOM 0 HE1 TYR A 90 88.262 2.890 -5.465 1.00 0.00 H new ATOM 0 HE2 TYR A 90 89.472 6.490 -3.461 1.00 0.00 H new ATOM 0 HH TYR A 90 90.888 5.190 -4.593 1.00 0.00 H new ATOM 1326 N CYS A 91 82.717 5.295 -0.691 1.00 0.00 N ATOM 1327 CA CYS A 91 81.300 5.443 -0.342 1.00 0.00 C ATOM 1328 C CYS A 91 80.876 6.910 -0.455 1.00 0.00 C ATOM 1329 O CYS A 91 81.583 7.789 0.036 1.00 0.00 O ATOM 1330 CB CYS A 91 80.943 4.864 1.050 1.00 0.00 C ATOM 1331 SG CYS A 91 82.279 4.866 2.290 1.00 0.00 S ATOM 0 H CYS A 91 83.349 5.841 -0.106 1.00 0.00 H new ATOM 0 HA CYS A 91 80.737 4.850 -1.062 1.00 0.00 H new ATOM 0 HB2 CYS A 91 80.103 5.430 1.451 1.00 0.00 H new ATOM 0 HB3 CYS A 91 80.601 3.838 0.917 1.00 0.00 H new ATOM 1336 N GLN A 92 79.666 7.169 -0.961 1.00 0.00 N ATOM 1337 CA GLN A 92 79.090 8.515 -0.927 1.00 0.00 C ATOM 1338 C GLN A 92 77.714 8.509 -0.267 1.00 0.00 C ATOM 1339 O GLN A 92 76.974 7.529 -0.336 1.00 0.00 O ATOM 1340 CB GLN A 92 79.000 9.107 -2.340 1.00 0.00 C ATOM 1341 CG GLN A 92 78.114 10.358 -2.364 1.00 0.00 C ATOM 1342 CD GLN A 92 78.242 11.084 -3.700 1.00 0.00 C ATOM 1343 OE1 GLN A 92 79.174 11.864 -3.898 1.00 0.00 O ATOM 1344 NE2 GLN A 92 77.313 10.934 -4.603 1.00 0.00 N ATOM 0 H GLN A 92 79.069 6.466 -1.397 1.00 0.00 H new ATOM 0 HA GLN A 92 79.752 9.142 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 92 79.999 9.359 -2.695 1.00 0.00 H new ATOM 0 HB3 GLN A 92 78.597 8.360 -3.025 1.00 0.00 H new ATOM 0 HG2 GLN A 92 77.074 10.077 -2.195 1.00 0.00 H new ATOM 0 HG3 GLN A 92 78.399 11.027 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 92 76.541 10.288 -4.438 1.00 0.00 H new ATOM 0 HE22 GLN A 92 77.358 11.463 -5.474 1.00 0.00 H new ATOM 1353 N SER A 93 77.467 9.516 0.565 1.00 0.00 N ATOM 1354 CA SER A 93 76.205 9.617 1.291 1.00 0.00 C ATOM 1355 C SER A 93 75.663 11.041 1.237 1.00 0.00 C ATOM 1356 O SER A 93 76.355 11.968 0.815 1.00 0.00 O ATOM 1357 CB SER A 93 76.415 9.202 2.747 1.00 0.00 C ATOM 1358 OG SER A 93 77.536 9.892 3.278 1.00 0.00 O ATOM 0 H SER A 93 78.124 10.274 0.753 1.00 0.00 H new ATOM 0 HA SER A 93 75.480 8.952 0.821 1.00 0.00 H new ATOM 0 HB2 SER A 93 75.524 9.428 3.333 1.00 0.00 H new ATOM 0 HB3 SER A 93 76.573 8.125 2.810 1.00 0.00 H new ATOM 0 HG SER A 93 77.391 10.858 3.203 1.00 0.00 H new ATOM 1364 N TYR A 94 74.431 11.209 1.705 1.00 0.00 N ATOM 1365 CA TYR A 94 73.796 12.522 1.711 1.00 0.00 C ATOM 1366 C TYR A 94 72.673 12.533 2.743 1.00 0.00 C ATOM 1367 O TYR A 94 71.797 11.668 2.728 1.00 0.00 O ATOM 1368 CB TYR A 94 73.271 12.875 0.311 1.00 0.00 C ATOM 1369 CG TYR A 94 73.403 11.691 -0.620 1.00 0.00 C ATOM 1370 CD1 TYR A 94 72.711 10.507 -0.337 1.00 0.00 C ATOM 1371 CD2 TYR A 94 74.283 11.739 -1.709 1.00 0.00 C ATOM 1372 CE1 TYR A 94 72.850 9.394 -1.175 1.00 0.00 C ATOM 1373 CE2 TYR A 94 74.409 10.633 -2.558 1.00 0.00 C ATOM 1374 CZ TYR A 94 73.680 9.466 -2.300 1.00 0.00 C ATOM 1375 OH TYR A 94 73.809 8.372 -3.132 1.00 0.00 O ATOM 0 H TYR A 94 73.855 10.457 2.083 1.00 0.00 H new ATOM 0 HA TYR A 94 74.530 13.280 1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 94 72.227 13.180 0.374 1.00 0.00 H new ATOM 0 HB3 TYR A 94 73.827 13.723 -0.089 1.00 0.00 H new ATOM 0 HD1 TYR A 94 72.069 10.452 0.530 1.00 0.00 H new ATOM 0 HD2 TYR A 94 74.865 12.630 -1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 94 72.317 8.481 -0.954 1.00 0.00 H new ATOM 0 HE2 TYR A 94 75.069 10.680 -3.412 1.00 0.00 H new ATOM 0 HH TYR A 94 74.434 8.584 -3.857 1.00 0.00 H new ATOM 1482 N PHE A 102 81.542 12.620 -0.901 1.00 0.00 N ATOM 1483 CA PHE A 102 82.085 11.317 -1.277 1.00 0.00 C ATOM 1484 C PHE A 102 83.400 11.063 -0.546 1.00 0.00 C ATOM 1485 O PHE A 102 84.256 11.945 -0.473 1.00 0.00 O ATOM 1486 CB PHE A 102 82.289 11.244 -2.794 1.00 0.00 C ATOM 1487 CG PHE A 102 83.573 11.927 -3.201 1.00 0.00 C ATOM 1488 CD1 PHE A 102 84.783 11.228 -3.119 1.00 0.00 C ATOM 1489 CD2 PHE A 102 83.564 13.267 -3.607 1.00 0.00 C ATOM 1490 CE1 PHE A 102 85.979 11.854 -3.489 1.00 0.00 C ATOM 1491 CE2 PHE A 102 84.764 13.900 -3.953 1.00 0.00 C ATOM 1492 CZ PHE A 102 85.971 13.193 -3.897 1.00 0.00 C ATOM 0 HA PHE A 102 81.374 10.543 -0.988 1.00 0.00 H new ATOM 0 HB2 PHE A 102 82.311 10.202 -3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 102 81.446 11.714 -3.301 1.00 0.00 H new ATOM 0 HD1 PHE A 102 84.794 10.206 -2.770 1.00 0.00 H new ATOM 0 HD2 PHE A 102 82.633 13.812 -3.653 1.00 0.00 H new ATOM 0 HE1 PHE A 102 86.908 11.304 -3.460 1.00 0.00 H new ATOM 0 HE2 PHE A 102 84.758 14.934 -4.263 1.00 0.00 H new ATOM 0 HZ PHE A 102 86.896 13.681 -4.168 1.00 0.00 H new ATOM 1502 N GLY A 103 83.574 9.844 -0.047 1.00 0.00 N ATOM 1503 CA GLY A 103 84.803 9.504 0.659 1.00 0.00 C ATOM 1504 C GLY A 103 84.885 8.005 0.924 1.00 0.00 C ATOM 1505 O GLY A 103 84.276 7.206 0.212 1.00 0.00 O ATOM 0 H GLY A 103 82.893 9.088 -0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 103 85.664 9.820 0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 103 84.846 10.047 1.603 1.00 0.00 H new ATOM 1509 N GLY A 104 85.695 7.629 1.907 1.00 0.00 N ATOM 1510 CA GLY A 104 85.840 6.223 2.265 1.00 0.00 C ATOM 1511 C GLY A 104 86.768 5.507 1.289 1.00 0.00 C ATOM 1512 O GLY A 104 86.433 4.447 0.762 1.00 0.00 O ATOM 0 H GLY A 104 86.257 8.271 2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 104 86.236 6.140 3.277 1.00 0.00 H new ATOM 0 HA3 GLY A 104 84.863 5.741 2.265 1.00 0.00 H new ATOM 1516 N GLY A 105 87.925 6.106 1.030 1.00 0.00 N ATOM 1517 CA GLY A 105 88.897 5.495 0.132 1.00 0.00 C ATOM 1518 C GLY A 105 89.662 4.386 0.846 1.00 0.00 C ATOM 1519 O GLY A 105 90.773 4.603 1.330 1.00 0.00 O ATOM 0 H GLY A 105 88.210 7.003 1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 105 88.388 5.089 -0.742 1.00 0.00 H new ATOM 0 HA3 GLY A 105 89.594 6.252 -0.228 1.00 0.00 H new ATOM 1523 N THR A 106 89.153 3.162 0.737 1.00 0.00 N ATOM 1524 CA THR A 106 89.797 2.006 1.353 1.00 0.00 C ATOM 1525 C THR A 106 90.454 1.151 0.274 1.00 0.00 C ATOM 1526 O THR A 106 89.918 0.992 -0.822 1.00 0.00 O ATOM 1527 CB THR A 106 88.760 1.180 2.120 1.00 0.00 C ATOM 1528 OG1 THR A 106 88.444 1.841 3.336 1.00 0.00 O ATOM 1529 CG2 THR A 106 89.305 -0.215 2.440 1.00 0.00 C ATOM 0 H THR A 106 88.296 2.945 0.228 1.00 0.00 H new ATOM 0 HA THR A 106 90.561 2.348 2.051 1.00 0.00 H new ATOM 0 HB THR A 106 87.870 1.077 1.500 1.00 0.00 H new ATOM 0 HG1 THR A 106 89.266 2.000 3.845 1.00 0.00 H new ATOM 0 HG21 THR A 106 88.552 -0.784 2.985 1.00 0.00 H new ATOM 0 HG22 THR A 106 89.549 -0.732 1.512 1.00 0.00 H new ATOM 0 HG23 THR A 106 90.203 -0.123 3.051 1.00 0.00 H new ATOM 1537 N LYS A 107 91.629 0.618 0.596 1.00 0.00 N ATOM 1538 CA LYS A 107 92.377 -0.216 -0.338 1.00 0.00 C ATOM 1539 C LYS A 107 92.235 -1.689 0.030 1.00 0.00 C ATOM 1540 O LYS A 107 92.901 -2.175 0.944 1.00 0.00 O ATOM 1541 CB LYS A 107 93.855 0.172 -0.293 1.00 0.00 C ATOM 1542 CG LYS A 107 94.583 -0.502 -1.457 1.00 0.00 C ATOM 1543 CD LYS A 107 96.060 -0.104 -1.439 1.00 0.00 C ATOM 1544 CE LYS A 107 96.715 -0.518 -2.758 1.00 0.00 C ATOM 1545 NZ LYS A 107 96.488 -1.971 -2.998 1.00 0.00 N ATOM 0 H LYS A 107 92.084 0.750 1.499 1.00 0.00 H new ATOM 0 HA LYS A 107 91.980 -0.061 -1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 107 93.962 1.255 -0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 107 94.296 -0.135 0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 107 94.487 -1.585 -1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 107 94.128 -0.208 -2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 107 96.156 0.972 -1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 107 96.567 -0.584 -0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 107 96.300 0.065 -3.580 1.00 0.00 H new ATOM 0 HE3 LYS A 107 97.784 -0.308 -2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 97.144 -2.308 -3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 96.652 -2.498 -2.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 95.509 -2.122 -3.314 1.00 0.00 H new ATOM 1559 N LEU A 108 91.352 -2.391 -0.673 1.00 0.00 N ATOM 1560 CA LEU A 108 91.149 -3.816 -0.434 1.00 0.00 C ATOM 1561 C LEU A 108 92.080 -4.644 -1.314 1.00 0.00 C ATOM 1562 O LEU A 108 92.130 -4.448 -2.528 1.00 0.00 O ATOM 1563 CB LEU A 108 89.697 -4.184 -0.744 1.00 0.00 C ATOM 1564 CG LEU A 108 89.374 -5.575 -0.191 1.00 0.00 C ATOM 1565 CD1 LEU A 108 89.349 -5.568 1.342 1.00 0.00 C ATOM 1566 CD2 LEU A 108 88.011 -6.011 -0.733 1.00 0.00 C ATOM 0 H LEU A 108 90.767 -1.998 -1.411 1.00 0.00 H new ATOM 0 HA LEU A 108 91.370 -4.030 0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 108 89.026 -3.446 -0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.532 -4.166 -1.821 1.00 0.00 H new ATOM 0 HG LEU A 108 90.148 -6.274 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 108 89.117 -6.569 1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 108 90.324 -5.261 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 108 88.588 -4.870 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 108 87.766 -7.001 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 108 87.249 -5.299 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.046 -6.044 -1.822 1.00 0.00 H new ATOM 1578 N THR A 109 92.859 -5.527 -0.693 1.00 0.00 N ATOM 1579 CA THR A 109 93.813 -6.360 -1.422 1.00 0.00 C ATOM 1580 C THR A 109 93.533 -7.836 -1.156 1.00 0.00 C ATOM 1581 O THR A 109 93.372 -8.254 -0.010 1.00 0.00 O ATOM 1582 CB THR A 109 95.239 -6.002 -0.987 1.00 0.00 C ATOM 1583 OG1 THR A 109 95.258 -4.657 -0.533 1.00 0.00 O ATOM 1584 CG2 THR A 109 96.212 -6.145 -2.160 1.00 0.00 C ATOM 0 H THR A 109 92.848 -5.684 0.315 1.00 0.00 H new ATOM 0 HA THR A 109 93.708 -6.177 -2.491 1.00 0.00 H new ATOM 0 HB THR A 109 95.546 -6.679 -0.190 1.00 0.00 H new ATOM 0 HG1 THR A 109 96.166 -4.420 -0.251 1.00 0.00 H new ATOM 0 HG21 THR A 109 97.219 -5.887 -1.831 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.200 -7.174 -2.519 1.00 0.00 H new ATOM 0 HG23 THR A 109 95.911 -5.476 -2.966 1.00 0.00 H new ATOM 1592 N VAL A 110 93.444 -8.632 -2.216 1.00 0.00 N ATOM 1593 CA VAL A 110 93.212 -10.064 -2.061 1.00 0.00 C ATOM 1594 C VAL A 110 94.527 -10.830 -2.140 1.00 0.00 C ATOM 1595 O VAL A 110 95.008 -11.153 -3.227 1.00 0.00 O ATOM 1596 CB VAL A 110 92.265 -10.555 -3.156 1.00 0.00 C ATOM 1597 CG1 VAL A 110 92.046 -12.059 -2.970 1.00 0.00 C ATOM 1598 CG2 VAL A 110 90.932 -9.801 -3.074 1.00 0.00 C ATOM 0 H VAL A 110 93.528 -8.315 -3.182 1.00 0.00 H new ATOM 0 HA VAL A 110 92.762 -10.240 -1.084 1.00 0.00 H new ATOM 0 HB VAL A 110 92.698 -10.368 -4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 110 91.372 -12.427 -3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.002 -12.578 -3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 110 91.608 -12.244 -1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 110 90.264 -10.157 -3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 110 90.475 -9.975 -2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.109 -8.734 -3.206 1.00 0.00 H new ATOM 1608 N LEU A 111 95.062 -11.182 -0.977 1.00 0.00 N ATOM 1609 CA LEU A 111 96.315 -11.924 -0.911 1.00 0.00 C ATOM 1610 C LEU A 111 96.292 -13.094 -1.888 1.00 0.00 C ATOM 1611 O LEU A 111 96.724 -12.907 -3.014 1.00 0.00 O ATOM 1612 CB LEU A 111 96.521 -12.442 0.515 1.00 0.00 C ATOM 1613 CG LEU A 111 96.546 -11.272 1.509 1.00 0.00 C ATOM 1614 CD1 LEU A 111 96.066 -11.732 2.889 1.00 0.00 C ATOM 1615 CD2 LEU A 111 97.966 -10.710 1.630 1.00 0.00 C ATOM 1616 OXT LEU A 111 95.821 -14.152 -1.506 1.00 0.00 O ATOM 0 H LEU A 111 94.649 -10.966 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 111 97.137 -11.261 -1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 111 95.720 -13.134 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 111 97.456 -12.999 0.575 1.00 0.00 H new ATOM 0 HG LEU A 111 95.878 -10.495 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 111 96.090 -10.891 3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 111 95.047 -12.110 2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 111 96.720 -12.523 3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 111 97.970 -9.881 2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 111 98.638 -11.492 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 111 98.302 -10.356 0.655 1.00 0.00 H new