USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 787 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 19 THR OG1 : rot 180:sc= 0.197 USER MOD Set 1.2: A 77 THR OG1 : rot -40:sc= 0.209 USER MOD Set 2.1: A 50 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 37 TYR OH : rot 74:sc= 1.14 USER MOD Set 3.2: A 47 THR OG1 : rot -52:sc= 0.309! USER MOD Set 4.1: A 28 SER OG : rot -28:sc= 0.167! USER MOD Set 4.2: A 32 ASN : amide:sc= -6! C(o=-5.8!,f=-3.8!) USER MOD Single : A 1 ASN : amide:sc= -6.86! K(o=-6.9!,f=-0.93) USER MOD Single : A 1 ASN N :NH3+ -118:sc= 0.762 (180deg=-0.798) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -9.15! C(o=-9.1!,f=-13!) USER MOD Single : A 8 HIS : no HD1:sc= -0.438! C(o=-0.44!,f=-2.9!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 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= -1.55 USER MOD Single : A 25 SER OG : rot -150:sc= -0.225 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 35 GLN : amide:sc= -17.7! C(o=-18!,f=-14!) USER MOD Single : A 38 GLN : amide:sc= -2.87! C(o=-2.9!,f=-11!) USER MOD Single : A 39 GLN : amide:sc= -0.863 X(o=-0.86,f=-0.68) USER MOD Single : A 43 SER OG : rot 80:sc= -0.145 USER MOD Single : A 44 SER OG : rot 180:sc= -0.166 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -12.1! C(o=-12!,f=-5!) 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 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc=0.000455 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -52:sc= 0.522 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc=-0.00232 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 162:sc= -1.56! USER MOD Single : A 90 TYR OH : rot -130:sc= -0.283 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0.0081) USER MOD Single : A 93 SER OG : rot 17:sc= 1.6 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.0157 X(o=-0.016,f=-0.016) USER MOD Single : A 99 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.0053) USER MOD Single : A 106 THR OG1 : rot -73:sc= 0.511 USER MOD Single : A 107 LYS NZ :NH3+ -159:sc= -0.0211 (180deg=-0.285) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 81.922 16.016 13.159 1.00 0.00 N ATOM 2 CA ASN A 1 82.165 17.077 12.141 1.00 0.00 C ATOM 3 C ASN A 1 81.464 16.690 10.841 1.00 0.00 C ATOM 4 O ASN A 1 80.268 16.400 10.841 1.00 0.00 O ATOM 5 CB ASN A 1 83.673 17.227 11.931 1.00 0.00 C ATOM 6 CG ASN A 1 83.983 18.555 11.248 1.00 0.00 C ATOM 7 OD1 ASN A 1 84.469 19.483 11.894 1.00 0.00 O ATOM 8 ND2 ASN A 1 83.676 18.727 9.992 1.00 0.00 N ATOM 0 H1 ASN A 1 81.401 16.420 13.964 1.00 0.00 H new ATOM 0 H2 ASN A 1 81.363 15.249 12.734 1.00 0.00 H new ATOM 0 H3 ASN A 1 82.832 15.638 13.491 1.00 0.00 H new ATOM 0 HA ASN A 1 81.764 18.033 12.478 1.00 0.00 H new ATOM 0 HB2 ASN A 1 84.188 17.175 12.890 1.00 0.00 H new ATOM 0 HB3 ASN A 1 84.046 16.402 11.324 1.00 0.00 H new ATOM 0 HD21 ASN A 1 83.839 19.630 9.546 1.00 0.00 H new ATOM 0 HD22 ASN A 1 83.273 17.959 9.456 1.00 0.00 H new ATOM 17 N PHE A 2 82.224 16.597 9.754 1.00 0.00 N ATOM 18 CA PHE A 2 81.662 16.244 8.454 1.00 0.00 C ATOM 19 C PHE A 2 82.650 15.392 7.664 1.00 0.00 C ATOM 20 O PHE A 2 83.414 15.910 6.849 1.00 0.00 O ATOM 21 CB PHE A 2 81.329 17.506 7.655 1.00 0.00 C ATOM 22 CG PHE A 2 80.222 18.269 8.346 1.00 0.00 C ATOM 23 CD1 PHE A 2 78.891 17.866 8.182 1.00 0.00 C ATOM 24 CD2 PHE A 2 80.520 19.407 9.105 1.00 0.00 C ATOM 25 CE1 PHE A 2 77.869 18.544 8.858 1.00 0.00 C ATOM 26 CE2 PHE A 2 79.491 20.116 9.738 1.00 0.00 C ATOM 27 CZ PHE A 2 78.165 19.682 9.616 1.00 0.00 C ATOM 0 H PHE A 2 83.231 16.761 9.747 1.00 0.00 H new ATOM 0 HA PHE A 2 80.748 15.674 8.622 1.00 0.00 H new ATOM 0 HB2 PHE A 2 82.215 18.135 7.564 1.00 0.00 H new ATOM 0 HB3 PHE A 2 81.023 17.238 6.644 1.00 0.00 H new ATOM 0 HD1 PHE A 2 78.653 17.034 7.536 1.00 0.00 H new ATOM 0 HD2 PHE A 2 81.543 19.738 9.202 1.00 0.00 H new ATOM 0 HE1 PHE A 2 76.851 18.188 8.794 1.00 0.00 H new ATOM 0 HE2 PHE A 2 79.720 20.997 10.320 1.00 0.00 H new ATOM 0 HZ PHE A 2 77.371 20.226 10.107 1.00 0.00 H new ATOM 37 N MET A 3 82.656 14.088 7.929 1.00 0.00 N ATOM 38 CA MET A 3 83.558 13.179 7.230 1.00 0.00 C ATOM 39 C MET A 3 83.004 11.758 7.264 1.00 0.00 C ATOM 40 O MET A 3 82.018 11.487 7.951 1.00 0.00 O ATOM 41 CB MET A 3 84.949 13.231 7.876 1.00 0.00 C ATOM 42 CG MET A 3 86.043 13.216 6.804 1.00 0.00 C ATOM 43 SD MET A 3 86.157 14.858 6.048 1.00 0.00 S ATOM 44 CE MET A 3 87.721 15.380 6.795 1.00 0.00 C ATOM 0 H MET A 3 82.051 13.640 8.617 1.00 0.00 H new ATOM 0 HA MET A 3 83.643 13.489 6.188 1.00 0.00 H new ATOM 0 HB2 MET A 3 85.040 14.131 8.484 1.00 0.00 H new ATOM 0 HB3 MET A 3 85.077 12.380 8.546 1.00 0.00 H new ATOM 0 HG2 MET A 3 87.000 12.939 7.247 1.00 0.00 H new ATOM 0 HG3 MET A 3 85.815 12.468 6.045 1.00 0.00 H new ATOM 0 HE1 MET A 3 87.972 16.383 6.450 1.00 0.00 H new ATOM 0 HE2 MET A 3 87.623 15.383 7.881 1.00 0.00 H new ATOM 0 HE3 MET A 3 88.512 14.688 6.505 1.00 0.00 H new ATOM 54 N LEU A 4 83.615 10.864 6.493 1.00 0.00 N ATOM 55 CA LEU A 4 83.200 9.467 6.454 1.00 0.00 C ATOM 56 C LEU A 4 84.379 8.588 6.853 1.00 0.00 C ATOM 57 O LEU A 4 85.299 8.369 6.065 1.00 0.00 O ATOM 58 CB LEU A 4 82.726 9.131 5.033 1.00 0.00 C ATOM 59 CG LEU A 4 81.342 8.475 5.057 1.00 0.00 C ATOM 60 CD1 LEU A 4 80.746 8.466 3.648 1.00 0.00 C ATOM 61 CD2 LEU A 4 81.475 7.041 5.572 1.00 0.00 C ATOM 0 H LEU A 4 84.403 11.084 5.884 1.00 0.00 H new ATOM 0 HA LEU A 4 82.380 9.289 7.150 1.00 0.00 H new ATOM 0 HB2 LEU A 4 82.691 10.040 4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 4 83.442 8.461 4.556 1.00 0.00 H new ATOM 0 HG LEU A 4 80.683 9.040 5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 4 79.762 7.998 3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 4 80.652 9.490 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 4 81.399 7.904 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 4 80.493 6.569 5.591 1.00 0.00 H new ATOM 0 HD22 LEU A 4 82.136 6.478 4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 4 81.892 7.053 6.579 1.00 0.00 H new ATOM 73 N THR A 5 84.349 8.099 8.087 1.00 0.00 N ATOM 74 CA THR A 5 85.461 7.306 8.592 1.00 0.00 C ATOM 75 C THR A 5 85.365 5.885 8.046 1.00 0.00 C ATOM 76 O THR A 5 84.324 5.240 8.168 1.00 0.00 O ATOM 77 CB THR A 5 85.435 7.273 10.124 1.00 0.00 C ATOM 78 OG1 THR A 5 85.057 8.553 10.611 1.00 0.00 O ATOM 79 CG2 THR A 5 86.821 6.913 10.667 1.00 0.00 C ATOM 0 H THR A 5 83.582 8.234 8.745 1.00 0.00 H new ATOM 0 HA THR A 5 86.397 7.759 8.265 1.00 0.00 H new ATOM 0 HB THR A 5 84.718 6.522 10.454 1.00 0.00 H new ATOM 0 HG1 THR A 5 85.037 8.537 11.591 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.791 6.892 11.756 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.115 5.932 10.294 1.00 0.00 H new ATOM 0 HG23 THR A 5 87.545 7.658 10.338 1.00 0.00 H new ATOM 87 N GLN A 6 86.446 5.400 7.443 1.00 0.00 N ATOM 88 CA GLN A 6 86.482 4.035 6.929 1.00 0.00 C ATOM 89 C GLN A 6 87.870 3.434 7.131 1.00 0.00 C ATOM 90 O GLN A 6 88.863 4.162 7.113 1.00 0.00 O ATOM 91 CB GLN A 6 86.127 4.032 5.436 1.00 0.00 C ATOM 92 CG GLN A 6 84.608 4.076 5.234 1.00 0.00 C ATOM 93 CD GLN A 6 84.211 3.381 3.936 1.00 0.00 C ATOM 94 OE1 GLN A 6 84.420 3.916 2.848 1.00 0.00 O ATOM 95 NE2 GLN A 6 83.647 2.204 3.987 1.00 0.00 N ATOM 0 H GLN A 6 87.306 5.930 7.299 1.00 0.00 H new ATOM 0 HA GLN A 6 85.754 3.434 7.473 1.00 0.00 H new ATOM 0 HB2 GLN A 6 86.588 4.890 4.947 1.00 0.00 H new ATOM 0 HB3 GLN A 6 86.535 3.139 4.963 1.00 0.00 H new ATOM 0 HG2 GLN A 6 84.111 3.594 6.076 1.00 0.00 H new ATOM 0 HG3 GLN A 6 84.270 5.112 5.215 1.00 0.00 H new ATOM 0 HE21 GLN A 6 83.474 1.760 4.889 1.00 0.00 H new ATOM 0 HE22 GLN A 6 83.380 1.729 3.125 1.00 0.00 H new ATOM 104 N PRO A 7 87.983 2.131 7.111 1.00 0.00 N ATOM 105 CA PRO A 7 89.298 1.461 7.309 1.00 0.00 C ATOM 106 C PRO A 7 90.333 2.007 6.329 1.00 0.00 C ATOM 107 O PRO A 7 90.106 2.020 5.119 1.00 0.00 O ATOM 108 CB PRO A 7 89.014 -0.030 7.074 1.00 0.00 C ATOM 109 CG PRO A 7 87.551 -0.162 6.785 1.00 0.00 C ATOM 110 CD PRO A 7 86.882 1.156 7.179 1.00 0.00 C ATOM 0 HA PRO A 7 89.715 1.635 8.301 1.00 0.00 H new ATOM 0 HB2 PRO A 7 89.606 -0.408 6.241 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.287 -0.617 7.951 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.387 -0.374 5.729 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.123 -0.992 7.347 1.00 0.00 H new ATOM 0 HD2 PRO A 7 86.073 1.416 6.497 1.00 0.00 H new ATOM 0 HD3 PRO A 7 86.452 1.105 8.179 1.00 0.00 H new ATOM 118 N HIS A 8 91.459 2.474 6.860 1.00 0.00 N ATOM 119 CA HIS A 8 92.507 3.046 6.021 1.00 0.00 C ATOM 120 C HIS A 8 92.912 2.044 4.945 1.00 0.00 C ATOM 121 O HIS A 8 92.818 2.328 3.752 1.00 0.00 O ATOM 122 CB HIS A 8 93.719 3.457 6.870 1.00 0.00 C ATOM 123 CG HIS A 8 93.646 2.817 8.231 1.00 0.00 C ATOM 124 ND1 HIS A 8 93.882 1.466 8.432 1.00 0.00 N ATOM 125 CD2 HIS A 8 93.303 3.326 9.460 1.00 0.00 C ATOM 126 CE1 HIS A 8 93.699 1.213 9.738 1.00 0.00 C ATOM 127 NE2 HIS A 8 93.359 2.313 10.414 1.00 0.00 N ATOM 0 H HIS A 8 91.668 2.468 7.858 1.00 0.00 H new ATOM 0 HA HIS A 8 92.121 3.943 5.536 1.00 0.00 H new ATOM 0 HB2 HIS A 8 94.640 3.158 6.369 1.00 0.00 H new ATOM 0 HB3 HIS A 8 93.749 4.542 6.972 1.00 0.00 H new ATOM 0 HD2 HIS A 8 93.032 4.353 9.656 1.00 0.00 H new ATOM 0 HE1 HIS A 8 93.813 0.238 10.187 1.00 0.00 H new ATOM 0 HE2 HIS A 8 93.179 2.394 11.415 1.00 0.00 H new ATOM 135 N SER A 9 93.399 0.884 5.374 1.00 0.00 N ATOM 136 CA SER A 9 93.837 -0.144 4.437 1.00 0.00 C ATOM 137 C SER A 9 93.802 -1.519 5.094 1.00 0.00 C ATOM 138 O SER A 9 93.927 -1.641 6.312 1.00 0.00 O ATOM 139 CB SER A 9 95.257 0.164 3.959 1.00 0.00 C ATOM 140 OG SER A 9 96.085 0.428 5.082 1.00 0.00 O ATOM 0 H SER A 9 93.500 0.633 6.358 1.00 0.00 H new ATOM 0 HA SER A 9 93.159 -0.149 3.584 1.00 0.00 H new ATOM 0 HB2 SER A 9 95.652 -0.678 3.392 1.00 0.00 H new ATOM 0 HB3 SER A 9 95.249 1.024 3.289 1.00 0.00 H new ATOM 0 HG SER A 9 96.996 0.624 4.778 1.00 0.00 H new ATOM 146 N VAL A 10 93.632 -2.551 4.275 1.00 0.00 N ATOM 147 CA VAL A 10 93.571 -3.917 4.782 1.00 0.00 C ATOM 148 C VAL A 10 93.730 -4.901 3.628 1.00 0.00 C ATOM 149 O VAL A 10 93.377 -4.592 2.491 1.00 0.00 O ATOM 150 CB VAL A 10 92.240 -4.149 5.503 1.00 0.00 C ATOM 151 CG1 VAL A 10 91.076 -3.878 4.546 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.157 -5.590 6.011 1.00 0.00 C ATOM 0 H VAL A 10 93.534 -2.469 3.263 1.00 0.00 H new ATOM 0 HA VAL A 10 94.382 -4.074 5.493 1.00 0.00 H new ATOM 0 HB VAL A 10 92.179 -3.468 6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 10 90.132 -4.045 5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 10 91.122 -2.845 4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 10 91.144 -4.551 3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 10 91.206 -5.742 6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 10 92.230 -6.278 5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 10 92.976 -5.779 6.705 1.00 0.00 H new ATOM 162 N SER A 11 94.204 -6.105 3.933 1.00 0.00 N ATOM 163 CA SER A 11 94.408 -7.129 2.914 1.00 0.00 C ATOM 164 C SER A 11 93.774 -8.444 3.354 1.00 0.00 C ATOM 165 O SER A 11 93.752 -8.764 4.543 1.00 0.00 O ATOM 166 CB SER A 11 95.906 -7.339 2.687 1.00 0.00 C ATOM 167 OG SER A 11 96.450 -8.076 3.771 1.00 0.00 O ATOM 0 H SER A 11 94.454 -6.396 4.878 1.00 0.00 H new ATOM 0 HA SER A 11 93.939 -6.800 1.987 1.00 0.00 H new ATOM 0 HB2 SER A 11 96.072 -7.873 1.751 1.00 0.00 H new ATOM 0 HB3 SER A 11 96.410 -6.376 2.599 1.00 0.00 H new ATOM 0 HG SER A 11 97.409 -8.212 3.625 1.00 0.00 H new ATOM 173 N GLU A 12 93.249 -9.204 2.397 1.00 0.00 N ATOM 174 CA GLU A 12 92.617 -10.485 2.696 1.00 0.00 C ATOM 175 C GLU A 12 93.073 -11.544 1.697 1.00 0.00 C ATOM 176 O GLU A 12 93.648 -11.217 0.658 1.00 0.00 O ATOM 177 CB GLU A 12 91.093 -10.329 2.641 1.00 0.00 C ATOM 178 CG GLU A 12 90.432 -11.324 3.598 1.00 0.00 C ATOM 179 CD GLU A 12 90.665 -10.880 5.038 1.00 0.00 C ATOM 180 OE1 GLU A 12 91.032 -9.733 5.234 1.00 0.00 O ATOM 181 OE2 GLU A 12 90.547 -11.714 5.920 1.00 0.00 O ATOM 0 H GLU A 12 93.249 -8.955 1.408 1.00 0.00 H new ATOM 0 HA GLU A 12 92.910 -10.804 3.696 1.00 0.00 H new ATOM 0 HB2 GLU A 12 90.813 -9.311 2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 12 90.738 -10.498 1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 12 89.363 -11.385 3.394 1.00 0.00 H new ATOM 0 HG3 GLU A 12 90.844 -12.321 3.443 1.00 0.00 H new ATOM 188 N SER A 13 92.876 -12.813 2.042 1.00 0.00 N ATOM 189 CA SER A 13 93.313 -13.904 1.176 1.00 0.00 C ATOM 190 C SER A 13 92.193 -14.313 0.221 1.00 0.00 C ATOM 191 O SER A 13 91.024 -14.314 0.610 1.00 0.00 O ATOM 192 CB SER A 13 93.723 -15.106 2.031 1.00 0.00 C ATOM 193 OG SER A 13 94.436 -14.651 3.172 1.00 0.00 O ATOM 0 H SER A 13 92.422 -13.110 2.906 1.00 0.00 H new ATOM 0 HA SER A 13 94.166 -13.563 0.589 1.00 0.00 H new ATOM 0 HB2 SER A 13 92.840 -15.665 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 13 94.344 -15.786 1.448 1.00 0.00 H new ATOM 0 HG SER A 13 94.698 -15.419 3.722 1.00 0.00 H new ATOM 199 N PRO A 14 92.507 -14.769 -0.963 1.00 0.00 N ATOM 200 CA PRO A 14 91.460 -15.162 -1.947 1.00 0.00 C ATOM 201 C PRO A 14 90.585 -16.290 -1.405 1.00 0.00 C ATOM 202 O PRO A 14 91.068 -17.393 -1.150 1.00 0.00 O ATOM 203 CB PRO A 14 92.225 -15.586 -3.209 1.00 0.00 C ATOM 204 CG PRO A 14 93.687 -15.447 -2.920 1.00 0.00 C ATOM 205 CD PRO A 14 93.845 -14.728 -1.577 1.00 0.00 C ATOM 0 HA PRO A 14 90.774 -14.342 -2.158 1.00 0.00 H new ATOM 0 HB2 PRO A 14 91.984 -16.615 -3.476 1.00 0.00 H new ATOM 0 HB3 PRO A 14 91.941 -14.962 -4.057 1.00 0.00 H new ATOM 0 HG2 PRO A 14 94.162 -16.427 -2.884 1.00 0.00 H new ATOM 0 HG3 PRO A 14 94.179 -14.883 -3.713 1.00 0.00 H new ATOM 0 HD2 PRO A 14 94.583 -15.225 -0.948 1.00 0.00 H new ATOM 0 HD3 PRO A 14 94.184 -13.701 -1.716 1.00 0.00 H new ATOM 213 N GLY A 15 89.290 -16.020 -1.259 1.00 0.00 N ATOM 214 CA GLY A 15 88.338 -17.036 -0.823 1.00 0.00 C ATOM 215 C GLY A 15 87.827 -16.744 0.584 1.00 0.00 C ATOM 216 O GLY A 15 87.165 -17.583 1.196 1.00 0.00 O ATOM 0 H GLY A 15 88.876 -15.105 -1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 15 87.499 -17.074 -1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 15 88.813 -18.017 -0.844 1.00 0.00 H new ATOM 220 N LYS A 16 88.252 -15.615 1.144 1.00 0.00 N ATOM 221 CA LYS A 16 87.834 -15.220 2.486 1.00 0.00 C ATOM 222 C LYS A 16 86.634 -14.278 2.416 1.00 0.00 C ATOM 223 O LYS A 16 85.985 -14.154 1.378 1.00 0.00 O ATOM 224 CB LYS A 16 89.001 -14.535 3.209 1.00 0.00 C ATOM 225 CG LYS A 16 89.826 -15.556 3.997 1.00 0.00 C ATOM 226 CD LYS A 16 90.939 -14.829 4.756 1.00 0.00 C ATOM 227 CE LYS A 16 91.614 -15.772 5.758 1.00 0.00 C ATOM 228 NZ LYS A 16 90.930 -15.665 7.078 1.00 0.00 N ATOM 0 H LYS A 16 88.886 -14.957 0.690 1.00 0.00 H new ATOM 0 HA LYS A 16 87.540 -16.111 3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 16 89.637 -14.029 2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 16 88.618 -13.771 3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 16 89.187 -16.096 4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 16 90.254 -16.295 3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 16 91.679 -14.449 4.051 1.00 0.00 H new ATOM 0 HD3 LYS A 16 90.526 -13.967 5.281 1.00 0.00 H new ATOM 0 HE2 LYS A 16 91.569 -16.799 5.395 1.00 0.00 H new ATOM 0 HE3 LYS A 16 92.669 -15.516 5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 91.387 -16.305 7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 90.995 -14.687 7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 89.930 -15.929 6.973 1.00 0.00 H new ATOM 242 N THR A 17 86.255 -13.747 3.576 1.00 0.00 N ATOM 243 CA THR A 17 85.151 -12.798 3.677 1.00 0.00 C ATOM 244 C THR A 17 85.633 -11.497 4.310 1.00 0.00 C ATOM 245 O THR A 17 86.461 -11.507 5.222 1.00 0.00 O ATOM 246 CB THR A 17 84.037 -13.408 4.533 1.00 0.00 C ATOM 247 OG1 THR A 17 84.620 -14.032 5.668 1.00 0.00 O ATOM 248 CG2 THR A 17 83.250 -14.457 3.740 1.00 0.00 C ATOM 0 H THR A 17 86.702 -13.961 4.467 1.00 0.00 H new ATOM 0 HA THR A 17 84.770 -12.582 2.679 1.00 0.00 H new ATOM 0 HB THR A 17 83.354 -12.614 4.836 1.00 0.00 H new ATOM 0 HG1 THR A 17 83.915 -14.424 6.224 1.00 0.00 H new ATOM 0 HG21 THR A 17 82.465 -14.875 4.370 1.00 0.00 H new ATOM 0 HG22 THR A 17 82.802 -13.989 2.863 1.00 0.00 H new ATOM 0 HG23 THR A 17 83.923 -15.253 3.422 1.00 0.00 H new ATOM 256 N VAL A 18 85.109 -10.375 3.821 1.00 0.00 N ATOM 257 CA VAL A 18 85.474 -9.062 4.348 1.00 0.00 C ATOM 258 C VAL A 18 84.209 -8.243 4.593 1.00 0.00 C ATOM 259 O VAL A 18 83.293 -8.235 3.771 1.00 0.00 O ATOM 260 CB VAL A 18 86.450 -8.374 3.378 1.00 0.00 C ATOM 261 CG1 VAL A 18 85.884 -7.083 2.776 1.00 0.00 C ATOM 262 CG2 VAL A 18 87.774 -8.048 4.075 1.00 0.00 C ATOM 0 H VAL A 18 84.430 -10.349 3.060 1.00 0.00 H new ATOM 0 HA VAL A 18 85.986 -9.160 5.305 1.00 0.00 H new ATOM 0 HB VAL A 18 86.613 -9.085 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.618 -6.644 2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 18 84.972 -7.309 2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 18 85.659 -6.377 3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 18 88.447 -7.562 3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 18 87.588 -7.380 4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 18 88.231 -8.969 4.437 1.00 0.00 H new ATOM 272 N THR A 19 84.247 -7.432 5.645 1.00 0.00 N ATOM 273 CA THR A 19 83.145 -6.535 5.980 1.00 0.00 C ATOM 274 C THR A 19 83.688 -5.119 6.141 1.00 0.00 C ATOM 275 O THR A 19 84.534 -4.860 6.997 1.00 0.00 O ATOM 276 CB THR A 19 82.506 -7.004 7.292 1.00 0.00 C ATOM 277 OG1 THR A 19 82.044 -8.337 7.126 1.00 0.00 O ATOM 278 CG2 THR A 19 81.321 -6.122 7.703 1.00 0.00 C ATOM 0 H THR A 19 85.038 -7.377 6.287 1.00 0.00 H new ATOM 0 HA THR A 19 82.395 -6.544 5.189 1.00 0.00 H new ATOM 0 HB THR A 19 83.262 -6.940 8.074 1.00 0.00 H new ATOM 0 HG1 THR A 19 81.635 -8.648 7.960 1.00 0.00 H new ATOM 0 HG21 THR A 19 80.899 -6.491 8.638 1.00 0.00 H new ATOM 0 HG22 THR A 19 81.661 -5.096 7.839 1.00 0.00 H new ATOM 0 HG23 THR A 19 80.559 -6.151 6.925 1.00 0.00 H new ATOM 286 N ILE A 20 83.143 -4.197 5.355 1.00 0.00 N ATOM 287 CA ILE A 20 83.542 -2.795 5.415 1.00 0.00 C ATOM 288 C ILE A 20 82.484 -1.985 6.158 1.00 0.00 C ATOM 289 O ILE A 20 81.286 -2.128 5.912 1.00 0.00 O ATOM 290 CB ILE A 20 83.708 -2.245 3.995 1.00 0.00 C ATOM 291 CG1 ILE A 20 84.695 -3.107 3.199 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.237 -0.809 4.055 1.00 0.00 C ATOM 293 CD1 ILE A 20 84.494 -2.903 1.694 1.00 0.00 C ATOM 0 H ILE A 20 82.419 -4.397 4.665 1.00 0.00 H new ATOM 0 HA ILE A 20 84.490 -2.717 5.946 1.00 0.00 H new ATOM 0 HB ILE A 20 82.736 -2.263 3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 20 85.717 -2.847 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 20 84.554 -4.158 3.451 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.354 -0.422 3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 20 83.532 -0.184 4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.202 -0.798 4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 20 85.203 -3.523 1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 20 83.477 -3.186 1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 20 84.658 -1.855 1.444 1.00 0.00 H new ATOM 305 N SER A 21 82.942 -1.106 7.044 1.00 0.00 N ATOM 306 CA SER A 21 82.061 -0.227 7.807 1.00 0.00 C ATOM 307 C SER A 21 82.149 1.205 7.276 1.00 0.00 C ATOM 308 O SER A 21 83.258 1.709 7.102 1.00 0.00 O ATOM 309 CB SER A 21 82.503 -0.284 9.272 1.00 0.00 C ATOM 310 OG SER A 21 82.761 -1.632 9.641 1.00 0.00 O ATOM 0 H SER A 21 83.933 -0.983 7.253 1.00 0.00 H new ATOM 0 HA SER A 21 81.025 -0.551 7.712 1.00 0.00 H new ATOM 0 HB2 SER A 21 83.399 0.321 9.416 1.00 0.00 H new ATOM 0 HB3 SER A 21 81.728 0.137 9.913 1.00 0.00 H new ATOM 0 HG SER A 21 83.045 -1.666 10.578 1.00 0.00 H new ATOM 316 N CYS A 22 81.015 1.890 7.106 1.00 0.00 N ATOM 317 CA CYS A 22 80.984 3.301 6.700 1.00 0.00 C ATOM 318 C CYS A 22 80.301 4.083 7.828 1.00 0.00 C ATOM 319 O CYS A 22 79.209 3.723 8.266 1.00 0.00 O ATOM 320 CB CYS A 22 80.255 3.538 5.354 1.00 0.00 C ATOM 321 SG CYS A 22 81.281 3.377 3.851 1.00 0.00 S ATOM 0 H CYS A 22 80.090 1.483 7.246 1.00 0.00 H new ATOM 0 HA CYS A 22 82.007 3.641 6.536 1.00 0.00 H new ATOM 0 HB2 CYS A 22 79.427 2.833 5.282 1.00 0.00 H new ATOM 0 HB3 CYS A 22 79.821 4.538 5.369 1.00 0.00 H new ATOM 326 N THR A 23 81.045 4.982 8.473 1.00 0.00 N ATOM 327 CA THR A 23 80.493 5.851 9.510 1.00 0.00 C ATOM 328 C THR A 23 80.655 7.295 9.058 1.00 0.00 C ATOM 329 O THR A 23 81.771 7.733 8.776 1.00 0.00 O ATOM 330 CB THR A 23 81.218 5.669 10.847 1.00 0.00 C ATOM 331 OG1 THR A 23 81.049 4.335 11.302 1.00 0.00 O ATOM 332 CG2 THR A 23 80.656 6.628 11.904 1.00 0.00 C ATOM 0 H THR A 23 82.038 5.127 8.293 1.00 0.00 H new ATOM 0 HA THR A 23 79.444 5.593 9.657 1.00 0.00 H new ATOM 0 HB THR A 23 82.276 5.885 10.696 1.00 0.00 H new ATOM 0 HG1 THR A 23 81.515 4.219 12.156 1.00 0.00 H new ATOM 0 HG21 THR A 23 81.185 6.482 12.846 1.00 0.00 H new ATOM 0 HG22 THR A 23 80.789 7.657 11.569 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.594 6.428 12.049 1.00 0.00 H new ATOM 340 N ARG A 24 79.628 8.093 9.323 1.00 0.00 N ATOM 341 CA ARG A 24 79.748 9.535 9.148 1.00 0.00 C ATOM 342 C ARG A 24 80.163 10.191 10.462 1.00 0.00 C ATOM 343 O ARG A 24 79.568 9.940 11.509 1.00 0.00 O ATOM 344 CB ARG A 24 78.421 10.101 8.632 1.00 0.00 C ATOM 345 CG ARG A 24 78.366 9.987 7.105 1.00 0.00 C ATOM 346 CD ARG A 24 77.000 10.444 6.590 1.00 0.00 C ATOM 347 NE ARG A 24 76.652 11.732 7.177 1.00 0.00 N ATOM 348 CZ ARG A 24 75.514 12.342 6.864 1.00 0.00 C ATOM 349 NH1 ARG A 24 74.503 11.649 6.413 1.00 0.00 N ATOM 350 NH2 ARG A 24 75.405 13.634 7.012 1.00 0.00 N ATOM 0 H ARG A 24 78.718 7.774 9.654 1.00 0.00 H new ATOM 0 HA ARG A 24 80.521 9.752 8.411 1.00 0.00 H new ATOM 0 HB2 ARG A 24 77.587 9.559 9.076 1.00 0.00 H new ATOM 0 HB3 ARG A 24 78.319 11.144 8.932 1.00 0.00 H new ATOM 0 HG2 ARG A 24 79.153 10.595 6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 24 78.550 8.956 6.803 1.00 0.00 H new ATOM 0 HD2 ARG A 24 77.020 10.524 5.503 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.241 9.703 6.841 1.00 0.00 H new ATOM 0 HE ARG A 24 77.292 12.172 7.838 1.00 0.00 H new ATOM 0 HH11 ARG A 24 74.587 10.639 6.301 1.00 0.00 H new ATOM 0 HH12 ARG A 24 73.630 12.118 6.173 1.00 0.00 H new ATOM 0 HH21 ARG A 24 76.193 14.175 7.368 1.00 0.00 H new ATOM 0 HH22 ARG A 24 74.532 14.103 6.772 1.00 0.00 H new ATOM 364 N SER A 25 81.052 11.170 10.355 1.00 0.00 N ATOM 365 CA SER A 25 81.493 11.948 11.508 1.00 0.00 C ATOM 366 C SER A 25 80.304 12.633 12.173 1.00 0.00 C ATOM 367 O SER A 25 80.480 13.558 12.968 1.00 0.00 O ATOM 368 CB SER A 25 82.540 12.985 11.095 1.00 0.00 C ATOM 369 OG SER A 25 83.645 12.327 10.492 1.00 0.00 O ATOM 0 H SER A 25 81.486 11.447 9.474 1.00 0.00 H new ATOM 0 HA SER A 25 81.950 11.266 12.225 1.00 0.00 H new ATOM 0 HB2 SER A 25 82.104 13.700 10.397 1.00 0.00 H new ATOM 0 HB3 SER A 25 82.871 13.551 11.966 1.00 0.00 H new ATOM 0 HG SER A 25 84.462 12.843 10.656 1.00 0.00 H new ATOM 375 N SER A 26 79.123 12.375 11.621 1.00 0.00 N ATOM 376 CA SER A 26 77.896 13.017 12.077 1.00 0.00 C ATOM 377 C SER A 26 77.083 12.038 12.920 1.00 0.00 C ATOM 378 O SER A 26 76.195 12.440 13.672 1.00 0.00 O ATOM 379 CB SER A 26 77.108 13.484 10.849 1.00 0.00 C ATOM 380 OG SER A 26 76.902 14.886 10.935 1.00 0.00 O ATOM 0 H SER A 26 78.990 11.720 10.851 1.00 0.00 H new ATOM 0 HA SER A 26 78.124 13.881 12.702 1.00 0.00 H new ATOM 0 HB2 SER A 26 77.653 13.239 9.937 1.00 0.00 H new ATOM 0 HB3 SER A 26 76.151 12.966 10.797 1.00 0.00 H new ATOM 0 HG SER A 26 76.400 15.192 10.151 1.00 0.00 H new ATOM 386 N GLY A 27 77.395 10.753 12.786 1.00 0.00 N ATOM 387 CA GLY A 27 76.672 9.714 13.512 1.00 0.00 C ATOM 388 C GLY A 27 75.326 9.420 12.859 1.00 0.00 C ATOM 389 O GLY A 27 74.421 8.887 13.499 1.00 0.00 O ATOM 0 H GLY A 27 78.141 10.406 12.183 1.00 0.00 H new ATOM 0 HA2 GLY A 27 77.271 8.804 13.542 1.00 0.00 H new ATOM 0 HA3 GLY A 27 76.517 10.028 14.544 1.00 0.00 H new ATOM 393 N SER A 28 75.203 9.760 11.578 1.00 0.00 N ATOM 394 CA SER A 28 73.960 9.552 10.839 1.00 0.00 C ATOM 395 C SER A 28 74.214 8.741 9.573 1.00 0.00 C ATOM 396 O SER A 28 74.969 9.166 8.700 1.00 0.00 O ATOM 397 CB SER A 28 73.357 10.906 10.456 1.00 0.00 C ATOM 398 OG SER A 28 73.848 11.300 9.183 1.00 0.00 O ATOM 0 H SER A 28 75.952 10.182 11.029 1.00 0.00 H new ATOM 0 HA SER A 28 73.268 9.003 11.477 1.00 0.00 H new ATOM 0 HB2 SER A 28 72.269 10.838 10.433 1.00 0.00 H new ATOM 0 HB3 SER A 28 73.614 11.655 11.205 1.00 0.00 H new ATOM 0 HG SER A 28 74.734 10.907 9.038 1.00 0.00 H new ATOM 404 N ILE A 29 73.668 7.530 9.526 1.00 0.00 N ATOM 405 CA ILE A 29 73.884 6.617 8.408 1.00 0.00 C ATOM 406 C ILE A 29 72.574 5.969 7.974 1.00 0.00 C ATOM 407 O ILE A 29 72.063 6.254 6.891 1.00 0.00 O ATOM 408 CB ILE A 29 74.842 5.498 8.826 1.00 0.00 C ATOM 409 CG1 ILE A 29 74.464 4.969 10.224 1.00 0.00 C ATOM 410 CG2 ILE A 29 76.297 5.991 8.796 1.00 0.00 C ATOM 411 CD1 ILE A 29 73.858 3.560 10.207 1.00 0.00 C ATOM 0 H ILE A 29 73.066 7.155 10.259 1.00 0.00 H new ATOM 0 HA ILE A 29 74.301 7.196 7.584 1.00 0.00 H new ATOM 0 HB ILE A 29 74.754 4.677 8.114 1.00 0.00 H new ATOM 0 HG12 ILE A 29 75.354 4.965 10.854 1.00 0.00 H new ATOM 0 HG13 ILE A 29 73.752 5.656 10.682 1.00 0.00 H new ATOM 0 HG21 ILE A 29 76.962 5.181 9.096 1.00 0.00 H new ATOM 0 HG22 ILE A 29 76.551 6.314 7.786 1.00 0.00 H new ATOM 0 HG23 ILE A 29 76.412 6.828 9.484 1.00 0.00 H new ATOM 0 HD11 ILE A 29 73.617 3.255 11.225 1.00 0.00 H new ATOM 0 HD12 ILE A 29 72.950 3.562 9.605 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.576 2.860 9.779 1.00 0.00 H new ATOM 423 N ALA A 30 71.980 5.189 8.871 1.00 0.00 N ATOM 424 CA ALA A 30 70.709 4.543 8.568 1.00 0.00 C ATOM 425 C ALA A 30 69.682 5.649 8.370 1.00 0.00 C ATOM 426 O ALA A 30 68.602 5.444 7.818 1.00 0.00 O ATOM 427 CB ALA A 30 70.265 3.675 9.748 1.00 0.00 C ATOM 0 H ALA A 30 72.352 4.991 9.800 1.00 0.00 H new ATOM 0 HA ALA A 30 70.806 3.914 7.683 1.00 0.00 H new ATOM 0 HB1 ALA A 30 69.314 3.197 9.511 1.00 0.00 H new ATOM 0 HB2 ALA A 30 71.017 2.910 9.941 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.146 4.299 10.634 1.00 0.00 H new ATOM 433 N SER A 31 70.190 6.855 8.589 1.00 0.00 N ATOM 434 CA SER A 31 69.404 8.071 8.403 1.00 0.00 C ATOM 435 C SER A 31 69.589 8.639 6.999 1.00 0.00 C ATOM 436 O SER A 31 68.721 9.348 6.490 1.00 0.00 O ATOM 437 CB SER A 31 69.801 9.126 9.436 1.00 0.00 C ATOM 438 OG SER A 31 69.320 8.739 10.714 1.00 0.00 O ATOM 0 H SER A 31 71.148 7.019 8.897 1.00 0.00 H new ATOM 0 HA SER A 31 68.354 7.809 8.537 1.00 0.00 H new ATOM 0 HB2 SER A 31 70.885 9.236 9.461 1.00 0.00 H new ATOM 0 HB3 SER A 31 69.388 10.096 9.158 1.00 0.00 H new ATOM 0 HG SER A 31 69.575 9.413 11.378 1.00 0.00 H new ATOM 444 N ASN A 32 70.693 8.274 6.355 1.00 0.00 N ATOM 445 CA ASN A 32 70.999 8.770 5.016 1.00 0.00 C ATOM 446 C ASN A 32 71.414 7.614 4.112 1.00 0.00 C ATOM 447 O ASN A 32 71.804 6.547 4.585 1.00 0.00 O ATOM 448 CB ASN A 32 72.138 9.792 5.085 1.00 0.00 C ATOM 449 CG ASN A 32 71.950 10.709 6.290 1.00 0.00 C ATOM 450 OD1 ASN A 32 71.693 11.901 6.129 1.00 0.00 O ATOM 451 ND2 ASN A 32 72.127 10.235 7.492 1.00 0.00 N ATOM 0 H ASN A 32 71.391 7.637 6.738 1.00 0.00 H new ATOM 0 HA ASN A 32 70.108 9.246 4.608 1.00 0.00 H new ATOM 0 HB2 ASN A 32 73.095 9.276 5.157 1.00 0.00 H new ATOM 0 HB3 ASN A 32 72.162 10.383 4.169 1.00 0.00 H new ATOM 0 HD21 ASN A 32 72.052 10.853 8.300 1.00 0.00 H new ATOM 0 HD22 ASN A 32 72.340 9.246 7.624 1.00 0.00 H new ATOM 458 N TYR A 33 71.256 7.810 2.807 1.00 0.00 N ATOM 459 CA TYR A 33 71.601 6.775 1.840 1.00 0.00 C ATOM 460 C TYR A 33 73.098 6.793 1.553 1.00 0.00 C ATOM 461 O TYR A 33 73.732 7.848 1.575 1.00 0.00 O ATOM 462 CB TYR A 33 70.832 7.003 0.539 1.00 0.00 C ATOM 463 CG TYR A 33 69.370 7.203 0.858 1.00 0.00 C ATOM 464 CD1 TYR A 33 68.913 8.450 1.299 1.00 0.00 C ATOM 465 CD2 TYR A 33 68.482 6.125 0.767 1.00 0.00 C ATOM 466 CE1 TYR A 33 67.562 8.628 1.616 1.00 0.00 C ATOM 467 CE2 TYR A 33 67.129 6.304 1.080 1.00 0.00 C ATOM 468 CZ TYR A 33 66.668 7.558 1.497 1.00 0.00 C ATOM 469 OH TYR A 33 65.335 7.740 1.806 1.00 0.00 O ATOM 0 H TYR A 33 70.893 8.671 2.397 1.00 0.00 H new ATOM 0 HA TYR A 33 71.331 5.805 2.259 1.00 0.00 H new ATOM 0 HB2 TYR A 33 71.226 7.875 0.017 1.00 0.00 H new ATOM 0 HB3 TYR A 33 70.958 6.149 -0.127 1.00 0.00 H new ATOM 0 HD1 TYR A 33 69.603 9.275 1.395 1.00 0.00 H new ATOM 0 HD2 TYR A 33 68.840 5.155 0.455 1.00 0.00 H new ATOM 0 HE1 TYR A 33 67.209 9.592 1.953 1.00 0.00 H new ATOM 0 HE2 TYR A 33 66.442 5.475 1.000 1.00 0.00 H new ATOM 0 HH TYR A 33 64.850 6.900 1.669 1.00 0.00 H new ATOM 479 N VAL A 34 73.668 5.614 1.328 1.00 0.00 N ATOM 480 CA VAL A 34 75.089 5.495 1.019 1.00 0.00 C ATOM 481 C VAL A 34 75.283 4.719 -0.281 1.00 0.00 C ATOM 482 O VAL A 34 74.624 3.704 -0.510 1.00 0.00 O ATOM 483 CB VAL A 34 75.813 4.801 2.176 1.00 0.00 C ATOM 484 CG1 VAL A 34 77.246 4.459 1.760 1.00 0.00 C ATOM 485 CG2 VAL A 34 75.836 5.742 3.384 1.00 0.00 C ATOM 0 H VAL A 34 73.167 4.726 1.354 1.00 0.00 H new ATOM 0 HA VAL A 34 75.512 6.491 0.888 1.00 0.00 H new ATOM 0 HB VAL A 34 75.291 3.880 2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 34 77.757 3.965 2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 34 77.225 3.794 0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 34 77.778 5.374 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 34 76.350 5.256 4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 34 76.360 6.660 3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 34 74.814 5.980 3.679 1.00 0.00 H new ATOM 495 N GLN A 35 76.323 5.085 -1.028 1.00 0.00 N ATOM 496 CA GLN A 35 76.626 4.440 -2.302 1.00 0.00 C ATOM 497 C GLN A 35 77.986 3.757 -2.211 1.00 0.00 C ATOM 498 O GLN A 35 78.769 4.059 -1.313 1.00 0.00 O ATOM 499 CB GLN A 35 76.614 5.485 -3.426 1.00 0.00 C ATOM 500 CG GLN A 35 77.996 6.098 -3.673 1.00 0.00 C ATOM 501 CD GLN A 35 78.869 5.162 -4.503 1.00 0.00 C ATOM 502 OE1 GLN A 35 78.406 4.576 -5.481 1.00 0.00 O ATOM 503 NE2 GLN A 35 80.111 4.968 -4.152 1.00 0.00 N ATOM 0 H GLN A 35 76.972 5.828 -0.770 1.00 0.00 H new ATOM 0 HA GLN A 35 75.871 3.687 -2.525 1.00 0.00 H new ATOM 0 HB2 GLN A 35 76.257 5.021 -4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 35 75.909 6.277 -3.174 1.00 0.00 H new ATOM 0 HG2 GLN A 35 77.888 7.052 -4.188 1.00 0.00 H new ATOM 0 HG3 GLN A 35 78.482 6.304 -2.719 1.00 0.00 H new ATOM 0 HE21 GLN A 35 80.494 5.454 -3.341 1.00 0.00 H new ATOM 0 HE22 GLN A 35 80.699 4.330 -4.689 1.00 0.00 H new ATOM 512 N TRP A 36 78.266 2.844 -3.138 1.00 0.00 N ATOM 513 CA TRP A 36 79.568 2.182 -3.175 1.00 0.00 C ATOM 514 C TRP A 36 80.134 2.171 -4.592 1.00 0.00 C ATOM 515 O TRP A 36 79.495 1.687 -5.526 1.00 0.00 O ATOM 516 CB TRP A 36 79.426 0.743 -2.676 1.00 0.00 C ATOM 517 CG TRP A 36 78.849 0.750 -1.296 1.00 0.00 C ATOM 518 CD1 TRP A 36 77.601 1.158 -0.976 1.00 0.00 C ATOM 519 CD2 TRP A 36 79.487 0.371 -0.041 1.00 0.00 C ATOM 520 NE1 TRP A 36 77.430 1.058 0.392 1.00 0.00 N ATOM 521 CE2 TRP A 36 78.561 0.573 1.014 1.00 0.00 C ATOM 522 CE3 TRP A 36 80.745 -0.167 0.275 1.00 0.00 C ATOM 523 CZ2 TRP A 36 78.885 0.257 2.339 1.00 0.00 C ATOM 524 CZ3 TRP A 36 81.089 -0.434 1.606 1.00 0.00 C ATOM 525 CH2 TRP A 36 80.170 -0.209 2.640 1.00 0.00 C ATOM 0 H TRP A 36 77.617 2.548 -3.867 1.00 0.00 H new ATOM 0 HA TRP A 36 80.252 2.734 -2.531 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.783 0.175 -3.348 1.00 0.00 H new ATOM 0 HB3 TRP A 36 80.398 0.250 -2.673 1.00 0.00 H new ATOM 0 HD1 TRP A 36 76.857 1.506 -1.677 1.00 0.00 H new ATOM 0 HE1 TRP A 36 76.572 1.312 0.882 1.00 0.00 H new ATOM 0 HE3 TRP A 36 81.452 -0.376 -0.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 78.150 0.372 3.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.072 -0.817 1.838 1.00 0.00 H new ATOM 0 HH2 TRP A 36 80.452 -0.395 3.666 1.00 0.00 H new ATOM 536 N TYR A 37 81.360 2.667 -4.730 1.00 0.00 N ATOM 537 CA TYR A 37 82.061 2.694 -6.008 1.00 0.00 C ATOM 538 C TYR A 37 83.411 1.996 -5.875 1.00 0.00 C ATOM 539 O TYR A 37 84.068 2.083 -4.838 1.00 0.00 O ATOM 540 CB TYR A 37 82.251 4.150 -6.458 1.00 0.00 C ATOM 541 CG TYR A 37 81.132 4.562 -7.386 1.00 0.00 C ATOM 542 CD1 TYR A 37 81.023 3.906 -8.615 1.00 0.00 C ATOM 543 CD2 TYR A 37 80.320 5.667 -7.105 1.00 0.00 C ATOM 544 CE1 TYR A 37 80.020 4.271 -9.520 1.00 0.00 C ATOM 545 CE2 TYR A 37 79.315 6.034 -8.010 1.00 0.00 C ATOM 546 CZ TYR A 37 79.166 5.338 -9.217 1.00 0.00 C ATOM 547 OH TYR A 37 78.177 5.702 -10.110 1.00 0.00 O ATOM 0 H TYR A 37 81.896 3.062 -3.957 1.00 0.00 H new ATOM 0 HA TYR A 37 81.471 2.166 -6.758 1.00 0.00 H new ATOM 0 HB2 TYR A 37 82.272 4.807 -5.588 1.00 0.00 H new ATOM 0 HB3 TYR A 37 83.211 4.259 -6.963 1.00 0.00 H new ATOM 0 HD1 TYR A 37 81.714 3.116 -8.867 1.00 0.00 H new ATOM 0 HD2 TYR A 37 80.467 6.233 -6.197 1.00 0.00 H new ATOM 0 HE1 TYR A 37 79.905 3.732 -10.449 1.00 0.00 H new ATOM 0 HE2 TYR A 37 78.654 6.855 -7.777 1.00 0.00 H new ATOM 0 HH TYR A 37 77.455 5.040 -10.087 1.00 0.00 H new ATOM 557 N GLN A 38 83.862 1.392 -6.970 1.00 0.00 N ATOM 558 CA GLN A 38 85.144 0.695 -6.994 1.00 0.00 C ATOM 559 C GLN A 38 85.989 1.275 -8.124 1.00 0.00 C ATOM 560 O GLN A 38 85.589 1.222 -9.287 1.00 0.00 O ATOM 561 CB GLN A 38 84.946 -0.808 -7.239 1.00 0.00 C ATOM 562 CG GLN A 38 83.595 -1.302 -6.715 1.00 0.00 C ATOM 563 CD GLN A 38 83.586 -1.317 -5.191 1.00 0.00 C ATOM 564 OE1 GLN A 38 83.470 -0.270 -4.553 1.00 0.00 O ATOM 565 NE2 GLN A 38 83.714 -2.455 -4.566 1.00 0.00 N ATOM 0 H GLN A 38 83.357 1.371 -7.856 1.00 0.00 H new ATOM 0 HA GLN A 38 85.638 0.827 -6.031 1.00 0.00 H new ATOM 0 HB2 GLN A 38 85.018 -1.014 -8.307 1.00 0.00 H new ATOM 0 HB3 GLN A 38 85.748 -1.363 -6.753 1.00 0.00 H new ATOM 0 HG2 GLN A 38 82.798 -0.656 -7.083 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.395 -2.304 -7.095 1.00 0.00 H new ATOM 0 HE21 GLN A 38 83.810 -3.321 -5.097 1.00 0.00 H new ATOM 0 HE22 GLN A 38 83.718 -2.479 -3.546 1.00 0.00 H new ATOM 574 N GLN A 39 87.236 1.613 -7.810 1.00 0.00 N ATOM 575 CA GLN A 39 88.160 2.154 -8.803 1.00 0.00 C ATOM 576 C GLN A 39 89.351 1.214 -8.947 1.00 0.00 C ATOM 577 O GLN A 39 89.903 0.742 -7.953 1.00 0.00 O ATOM 578 CB GLN A 39 88.620 3.557 -8.378 1.00 0.00 C ATOM 579 CG GLN A 39 88.568 4.529 -9.560 1.00 0.00 C ATOM 580 CD GLN A 39 89.336 3.951 -10.743 1.00 0.00 C ATOM 581 OE1 GLN A 39 90.567 3.930 -10.735 1.00 0.00 O ATOM 582 NE2 GLN A 39 88.676 3.417 -11.735 1.00 0.00 N ATOM 0 H GLN A 39 87.631 1.522 -6.874 1.00 0.00 H new ATOM 0 HA GLN A 39 87.659 2.237 -9.767 1.00 0.00 H new ATOM 0 HB2 GLN A 39 87.985 3.924 -7.572 1.00 0.00 H new ATOM 0 HB3 GLN A 39 89.636 3.508 -7.986 1.00 0.00 H new ATOM 0 HG2 GLN A 39 87.532 4.715 -9.844 1.00 0.00 H new ATOM 0 HG3 GLN A 39 88.996 5.489 -9.272 1.00 0.00 H new ATOM 0 HE21 GLN A 39 87.656 3.436 -11.738 1.00 0.00 H new ATOM 0 HE22 GLN A 39 89.180 2.981 -12.507 1.00 0.00 H new ATOM 591 N ARG A 40 89.778 0.989 -10.185 1.00 0.00 N ATOM 592 CA ARG A 40 90.924 0.123 -10.445 1.00 0.00 C ATOM 593 C ARG A 40 91.588 0.525 -11.761 1.00 0.00 C ATOM 594 O ARG A 40 90.894 0.870 -12.717 1.00 0.00 O ATOM 595 CB ARG A 40 90.484 -1.347 -10.485 1.00 0.00 C ATOM 596 CG ARG A 40 88.974 -1.441 -10.727 1.00 0.00 C ATOM 597 CD ARG A 40 88.533 -2.885 -11.000 1.00 0.00 C ATOM 598 NE ARG A 40 87.686 -2.923 -12.188 1.00 0.00 N ATOM 599 CZ ARG A 40 86.431 -3.363 -12.147 1.00 0.00 C ATOM 600 NH1 ARG A 40 86.175 -4.551 -11.671 1.00 0.00 N ATOM 601 NH2 ARG A 40 85.459 -2.611 -12.586 1.00 0.00 N ATOM 0 H ARG A 40 89.352 1.391 -11.020 1.00 0.00 H new ATOM 0 HA ARG A 40 91.648 0.238 -9.639 1.00 0.00 H new ATOM 0 HB2 ARG A 40 91.020 -1.873 -11.275 1.00 0.00 H new ATOM 0 HB3 ARG A 40 90.740 -1.837 -9.545 1.00 0.00 H new ATOM 0 HG2 ARG A 40 88.441 -1.056 -9.858 1.00 0.00 H new ATOM 0 HG3 ARG A 40 88.701 -0.811 -11.573 1.00 0.00 H new ATOM 0 HD2 ARG A 40 89.406 -3.521 -11.143 1.00 0.00 H new ATOM 0 HD3 ARG A 40 87.989 -3.278 -10.141 1.00 0.00 H new ATOM 0 HE ARG A 40 88.068 -2.602 -13.078 1.00 0.00 H new ATOM 0 HH11 ARG A 40 86.936 -5.139 -11.332 1.00 0.00 H new ATOM 0 HH12 ARG A 40 85.214 -4.891 -11.638 1.00 0.00 H new ATOM 0 HH21 ARG A 40 85.661 -1.684 -12.961 1.00 0.00 H new ATOM 0 HH22 ARG A 40 84.498 -2.950 -12.554 1.00 0.00 H new ATOM 615 N PRO A 41 92.876 0.336 -11.893 1.00 0.00 N ATOM 616 CA PRO A 41 93.594 0.705 -13.145 1.00 0.00 C ATOM 617 C PRO A 41 93.026 -0.048 -14.345 1.00 0.00 C ATOM 618 O PRO A 41 92.716 -1.235 -14.250 1.00 0.00 O ATOM 619 CB PRO A 41 95.065 0.343 -12.889 1.00 0.00 C ATOM 620 CG PRO A 41 95.146 -0.277 -11.528 1.00 0.00 C ATOM 621 CD PRO A 41 93.807 -0.052 -10.821 1.00 0.00 C ATOM 0 HA PRO A 41 93.482 1.763 -13.384 1.00 0.00 H new ATOM 0 HB2 PRO A 41 95.427 -0.350 -13.648 1.00 0.00 H new ATOM 0 HB3 PRO A 41 95.694 1.232 -12.943 1.00 0.00 H new ATOM 0 HG2 PRO A 41 95.360 -1.343 -11.608 1.00 0.00 H new ATOM 0 HG3 PRO A 41 95.959 0.169 -10.955 1.00 0.00 H new ATOM 0 HD2 PRO A 41 93.471 -0.956 -10.313 1.00 0.00 H new ATOM 0 HD3 PRO A 41 93.886 0.728 -10.064 1.00 0.00 H new ATOM 629 N GLY A 42 92.912 0.641 -15.476 1.00 0.00 N ATOM 630 CA GLY A 42 92.409 0.010 -16.691 1.00 0.00 C ATOM 631 C GLY A 42 90.893 -0.148 -16.638 1.00 0.00 C ATOM 632 O GLY A 42 90.300 -0.821 -17.481 1.00 0.00 O ATOM 0 H GLY A 42 93.158 1.626 -15.577 1.00 0.00 H new ATOM 0 HA2 GLY A 42 92.685 0.610 -17.558 1.00 0.00 H new ATOM 0 HA3 GLY A 42 92.876 -0.967 -16.818 1.00 0.00 H new ATOM 636 N SER A 43 90.269 0.474 -15.644 1.00 0.00 N ATOM 637 CA SER A 43 88.821 0.394 -15.482 1.00 0.00 C ATOM 638 C SER A 43 88.282 1.696 -14.899 1.00 0.00 C ATOM 639 O SER A 43 89.035 2.486 -14.329 1.00 0.00 O ATOM 640 CB SER A 43 88.470 -0.768 -14.549 1.00 0.00 C ATOM 641 OG SER A 43 87.260 -0.480 -13.863 1.00 0.00 O ATOM 0 H SER A 43 90.742 1.039 -14.939 1.00 0.00 H new ATOM 0 HA SER A 43 88.367 0.228 -16.459 1.00 0.00 H new ATOM 0 HB2 SER A 43 88.364 -1.689 -15.123 1.00 0.00 H new ATOM 0 HB3 SER A 43 89.276 -0.929 -13.833 1.00 0.00 H new ATOM 0 HG SER A 43 86.498 -0.666 -14.451 1.00 0.00 H new ATOM 647 N SER A 44 86.971 1.896 -15.004 1.00 0.00 N ATOM 648 CA SER A 44 86.338 3.122 -14.528 1.00 0.00 C ATOM 649 C SER A 44 85.465 2.809 -13.315 1.00 0.00 C ATOM 650 O SER A 44 84.989 1.683 -13.167 1.00 0.00 O ATOM 651 CB SER A 44 85.511 3.741 -15.661 1.00 0.00 C ATOM 652 OG SER A 44 86.030 5.026 -15.970 1.00 0.00 O ATOM 0 H SER A 44 86.325 1.223 -15.416 1.00 0.00 H new ATOM 0 HA SER A 44 87.098 3.842 -14.224 1.00 0.00 H new ATOM 0 HB2 SER A 44 85.544 3.101 -16.543 1.00 0.00 H new ATOM 0 HB3 SER A 44 84.466 3.820 -15.363 1.00 0.00 H new ATOM 0 HG SER A 44 85.505 5.425 -16.695 1.00 0.00 H new ATOM 658 N PRO A 45 85.132 3.801 -12.531 1.00 0.00 N ATOM 659 CA PRO A 45 84.305 3.603 -11.308 1.00 0.00 C ATOM 660 C PRO A 45 83.016 2.856 -11.641 1.00 0.00 C ATOM 661 O PRO A 45 82.274 3.271 -12.530 1.00 0.00 O ATOM 662 CB PRO A 45 84.023 5.024 -10.796 1.00 0.00 C ATOM 663 CG PRO A 45 84.707 5.978 -11.726 1.00 0.00 C ATOM 664 CD PRO A 45 85.670 5.169 -12.597 1.00 0.00 C ATOM 0 HA PRO A 45 84.809 2.997 -10.555 1.00 0.00 H new ATOM 0 HB2 PRO A 45 82.950 5.217 -10.769 1.00 0.00 H new ATOM 0 HB3 PRO A 45 84.395 5.146 -9.779 1.00 0.00 H new ATOM 0 HG2 PRO A 45 83.976 6.498 -12.345 1.00 0.00 H new ATOM 0 HG3 PRO A 45 85.248 6.739 -11.163 1.00 0.00 H new ATOM 0 HD2 PRO A 45 85.693 5.541 -13.621 1.00 0.00 H new ATOM 0 HD3 PRO A 45 86.691 5.217 -12.217 1.00 0.00 H new ATOM 672 N THR A 46 82.720 1.796 -10.893 1.00 0.00 N ATOM 673 CA THR A 46 81.502 1.020 -11.115 1.00 0.00 C ATOM 674 C THR A 46 80.689 0.920 -9.829 1.00 0.00 C ATOM 675 O THR A 46 81.144 0.354 -8.836 1.00 0.00 O ATOM 676 CB THR A 46 81.858 -0.388 -11.599 1.00 0.00 C ATOM 677 OG1 THR A 46 82.842 -0.300 -12.620 1.00 0.00 O ATOM 678 CG2 THR A 46 80.610 -1.072 -12.161 1.00 0.00 C ATOM 0 H THR A 46 83.305 1.455 -10.130 1.00 0.00 H new ATOM 0 HA THR A 46 80.907 1.528 -11.874 1.00 0.00 H new ATOM 0 HB THR A 46 82.245 -0.969 -10.762 1.00 0.00 H new ATOM 0 HG1 THR A 46 83.073 -1.200 -12.930 1.00 0.00 H new ATOM 0 HG21 THR A 46 80.868 -2.074 -12.504 1.00 0.00 H new ATOM 0 HG22 THR A 46 79.850 -1.140 -11.382 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.222 -0.491 -12.997 1.00 0.00 H new ATOM 686 N THR A 47 79.487 1.486 -9.852 1.00 0.00 N ATOM 687 CA THR A 47 78.641 1.482 -8.666 1.00 0.00 C ATOM 688 C THR A 47 78.308 0.044 -8.282 1.00 0.00 C ATOM 689 O THR A 47 77.647 -0.662 -9.043 1.00 0.00 O ATOM 690 CB THR A 47 77.357 2.270 -8.955 1.00 0.00 C ATOM 691 OG1 THR A 47 77.635 3.280 -9.914 1.00 0.00 O ATOM 692 CG2 THR A 47 76.832 2.927 -7.676 1.00 0.00 C ATOM 0 H THR A 47 79.082 1.947 -10.667 1.00 0.00 H new ATOM 0 HA THR A 47 79.166 1.954 -7.835 1.00 0.00 H new ATOM 0 HB THR A 47 76.601 1.584 -9.337 1.00 0.00 H new ATOM 0 HG1 THR A 47 78.410 3.804 -9.622 1.00 0.00 H new ATOM 0 HG21 THR A 47 75.921 3.482 -7.900 1.00 0.00 H new ATOM 0 HG22 THR A 47 76.616 2.158 -6.934 1.00 0.00 H new ATOM 0 HG23 THR A 47 77.585 3.610 -7.282 1.00 0.00 H new ATOM 700 N VAL A 48 78.650 -0.351 -7.057 1.00 0.00 N ATOM 701 CA VAL A 48 78.450 -1.738 -6.647 1.00 0.00 C ATOM 702 C VAL A 48 77.192 -1.868 -5.793 1.00 0.00 C ATOM 703 O VAL A 48 76.509 -2.888 -5.883 1.00 0.00 O ATOM 704 CB VAL A 48 79.681 -2.233 -5.868 1.00 0.00 C ATOM 705 CG1 VAL A 48 79.309 -3.259 -4.792 1.00 0.00 C ATOM 706 CG2 VAL A 48 80.692 -2.884 -6.816 1.00 0.00 C ATOM 0 H VAL A 48 79.058 0.255 -6.345 1.00 0.00 H new ATOM 0 HA VAL A 48 78.322 -2.354 -7.537 1.00 0.00 H new ATOM 0 HB VAL A 48 80.115 -1.356 -5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 48 80.210 -3.580 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 48 78.618 -2.806 -4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 48 78.835 -4.122 -5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.556 -3.228 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.227 -3.733 -7.317 1.00 0.00 H new ATOM 0 HG23 VAL A 48 81.014 -2.156 -7.560 1.00 0.00 H new ATOM 716 N ILE A 49 76.804 -0.814 -5.081 1.00 0.00 N ATOM 717 CA ILE A 49 75.584 -0.838 -4.290 1.00 0.00 C ATOM 718 C ILE A 49 74.951 0.550 -4.327 1.00 0.00 C ATOM 719 O ILE A 49 75.644 1.563 -4.239 1.00 0.00 O ATOM 720 CB ILE A 49 75.917 -1.274 -2.858 1.00 0.00 C ATOM 721 CG1 ILE A 49 76.025 -2.799 -2.778 1.00 0.00 C ATOM 722 CG2 ILE A 49 74.821 -0.798 -1.904 1.00 0.00 C ATOM 723 CD1 ILE A 49 76.712 -3.209 -1.474 1.00 0.00 C ATOM 0 H ILE A 49 77.318 0.066 -5.037 1.00 0.00 H new ATOM 0 HA ILE A 49 74.869 -1.553 -4.697 1.00 0.00 H new ATOM 0 HB ILE A 49 76.871 -0.831 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 49 75.032 -3.245 -2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 49 76.590 -3.177 -3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 49 75.062 -1.110 -0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.752 0.289 -1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 49 73.867 -1.233 -2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 49 76.784 -4.296 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 49 77.712 -2.777 -1.438 1.00 0.00 H new ATOM 0 HD13 ILE A 49 76.130 -2.847 -0.627 1.00 0.00 H new ATOM 735 N TYR A 50 73.624 0.576 -4.246 1.00 0.00 N ATOM 736 CA TYR A 50 72.874 1.827 -4.245 1.00 0.00 C ATOM 737 C TYR A 50 71.757 1.731 -3.209 1.00 0.00 C ATOM 738 O TYR A 50 71.356 0.630 -2.835 1.00 0.00 O ATOM 739 CB TYR A 50 72.312 2.077 -5.652 1.00 0.00 C ATOM 740 CG TYR A 50 72.564 3.497 -6.105 1.00 0.00 C ATOM 741 CD1 TYR A 50 72.101 4.571 -5.333 1.00 0.00 C ATOM 742 CD2 TYR A 50 73.179 3.740 -7.339 1.00 0.00 C ATOM 743 CE1 TYR A 50 72.312 5.886 -5.763 1.00 0.00 C ATOM 744 CE2 TYR A 50 73.415 5.055 -7.756 1.00 0.00 C ATOM 745 CZ TYR A 50 73.003 6.128 -6.957 1.00 0.00 C ATOM 746 OH TYR A 50 73.218 7.423 -7.380 1.00 0.00 O ATOM 0 H TYR A 50 73.044 -0.260 -4.180 1.00 0.00 H new ATOM 0 HA TYR A 50 73.519 2.665 -3.981 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.770 1.383 -6.356 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.241 1.877 -5.658 1.00 0.00 H new ATOM 0 HD1 TYR A 50 71.581 4.384 -4.405 1.00 0.00 H new ATOM 0 HD2 TYR A 50 73.471 2.913 -7.969 1.00 0.00 H new ATOM 0 HE1 TYR A 50 71.942 6.713 -5.175 1.00 0.00 H new ATOM 0 HE2 TYR A 50 73.915 5.242 -8.695 1.00 0.00 H new ATOM 0 HH TYR A 50 73.713 7.413 -8.226 1.00 0.00 H new ATOM 756 N GLU A 51 71.497 2.853 -2.548 1.00 0.00 N ATOM 757 CA GLU A 51 70.552 2.902 -1.439 1.00 0.00 C ATOM 758 C GLU A 51 70.971 1.922 -0.347 1.00 0.00 C ATOM 759 O GLU A 51 70.162 1.408 0.425 1.00 0.00 O ATOM 760 CB GLU A 51 69.181 2.514 -2.007 1.00 0.00 C ATOM 761 CG GLU A 51 68.141 2.373 -0.887 1.00 0.00 C ATOM 762 CD GLU A 51 66.777 2.882 -1.344 1.00 0.00 C ATOM 763 OE1 GLU A 51 66.505 2.797 -2.531 1.00 0.00 O ATOM 764 OE2 GLU A 51 66.053 3.408 -0.514 1.00 0.00 O ATOM 0 H GLU A 51 71.933 3.750 -2.764 1.00 0.00 H new ATOM 0 HA GLU A 51 70.521 3.897 -0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 51 68.852 3.270 -2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.262 1.574 -2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 51 68.062 1.328 -0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 51 68.467 2.932 -0.010 1.00 0.00 H new ATOM 771 N ASP A 52 72.264 1.624 -0.363 1.00 0.00 N ATOM 772 CA ASP A 52 72.913 0.746 0.604 1.00 0.00 C ATOM 773 C ASP A 52 72.040 -0.483 0.823 1.00 0.00 C ATOM 774 O ASP A 52 72.364 -1.332 1.654 1.00 0.00 O ATOM 775 CB ASP A 52 73.083 1.473 1.939 1.00 0.00 C ATOM 776 CG ASP A 52 74.019 0.688 2.852 1.00 0.00 C ATOM 777 OD1 ASP A 52 74.654 -0.231 2.365 1.00 0.00 O ATOM 778 OD2 ASP A 52 74.141 1.058 4.008 1.00 0.00 O ATOM 0 H ASP A 52 72.906 1.994 -1.064 1.00 0.00 H new ATOM 0 HA ASP A 52 73.891 0.454 0.223 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.483 2.472 1.769 1.00 0.00 H new ATOM 0 HB3 ASP A 52 72.113 1.596 2.420 1.00 0.00 H new ATOM 783 N ASN A 53 71.138 -0.723 -0.122 1.00 0.00 N ATOM 784 CA ASN A 53 70.432 -1.992 -0.242 1.00 0.00 C ATOM 785 C ASN A 53 70.541 -2.523 -1.666 1.00 0.00 C ATOM 786 O ASN A 53 70.539 -3.731 -1.901 1.00 0.00 O ATOM 787 CB ASN A 53 68.990 -1.763 0.228 1.00 0.00 C ATOM 788 CG ASN A 53 67.966 -2.469 -0.652 1.00 0.00 C ATOM 789 OD1 ASN A 53 67.766 -3.675 -0.514 1.00 0.00 O ATOM 790 ND2 ASN A 53 67.236 -1.764 -1.472 1.00 0.00 N ATOM 0 H ASN A 53 70.875 -0.038 -0.830 1.00 0.00 H new ATOM 0 HA ASN A 53 70.874 -2.765 0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 53 68.886 -2.116 1.254 1.00 0.00 H new ATOM 0 HB3 ASN A 53 68.780 -0.693 0.236 1.00 0.00 H new ATOM 0 HD21 ASN A 53 66.491 -2.212 -2.006 1.00 0.00 H new ATOM 0 HD22 ASN A 53 67.410 -0.765 -1.579 1.00 0.00 H new ATOM 797 N GLN A 54 70.291 -1.597 -2.587 1.00 0.00 N ATOM 798 CA GLN A 54 70.102 -1.936 -3.991 1.00 0.00 C ATOM 799 C GLN A 54 71.307 -2.734 -4.479 1.00 0.00 C ATOM 800 O GLN A 54 72.430 -2.469 -4.051 1.00 0.00 O ATOM 801 CB GLN A 54 69.962 -0.634 -4.787 1.00 0.00 C ATOM 802 CG GLN A 54 69.194 -0.863 -6.089 1.00 0.00 C ATOM 803 CD GLN A 54 70.019 -1.750 -7.014 1.00 0.00 C ATOM 804 OE1 GLN A 54 69.480 -2.425 -7.891 1.00 0.00 O ATOM 805 NE2 GLN A 54 71.318 -1.714 -6.904 1.00 0.00 N ATOM 0 H GLN A 54 70.215 -0.601 -2.383 1.00 0.00 H new ATOM 0 HA GLN A 54 69.206 -2.541 -4.126 1.00 0.00 H new ATOM 0 HB2 GLN A 54 69.445 0.111 -4.183 1.00 0.00 H new ATOM 0 HB3 GLN A 54 70.951 -0.233 -5.010 1.00 0.00 H new ATOM 0 HG2 GLN A 54 68.233 -1.332 -5.879 1.00 0.00 H new ATOM 0 HG3 GLN A 54 68.985 0.091 -6.573 1.00 0.00 H new ATOM 0 HE21 GLN A 54 71.753 -1.151 -6.173 1.00 0.00 H new ATOM 0 HE22 GLN A 54 71.899 -2.249 -7.549 1.00 0.00 H new ATOM 814 N ARG A 55 71.074 -3.734 -5.326 1.00 0.00 N ATOM 815 CA ARG A 55 72.159 -4.545 -5.874 1.00 0.00 C ATOM 816 C ARG A 55 72.086 -4.546 -7.403 1.00 0.00 C ATOM 817 O ARG A 55 71.184 -5.171 -7.960 1.00 0.00 O ATOM 818 CB ARG A 55 72.032 -5.969 -5.315 1.00 0.00 C ATOM 819 CG ARG A 55 73.394 -6.561 -4.934 1.00 0.00 C ATOM 820 CD ARG A 55 74.067 -5.744 -3.823 1.00 0.00 C ATOM 821 NE ARG A 55 73.084 -4.963 -3.078 1.00 0.00 N ATOM 822 CZ ARG A 55 72.607 -5.370 -1.905 1.00 0.00 C ATOM 823 NH1 ARG A 55 71.888 -6.457 -1.835 1.00 0.00 N ATOM 824 NH2 ARG A 55 72.913 -4.724 -0.813 1.00 0.00 N ATOM 0 H ARG A 55 70.144 -4.002 -5.648 1.00 0.00 H new ATOM 0 HA ARG A 55 73.126 -4.132 -5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 55 71.384 -5.958 -4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 55 71.554 -6.608 -6.057 1.00 0.00 H new ATOM 0 HG2 ARG A 55 73.265 -7.592 -4.603 1.00 0.00 H new ATOM 0 HG3 ARG A 55 74.040 -6.586 -5.812 1.00 0.00 H new ATOM 0 HD2 ARG A 55 74.595 -6.413 -3.144 1.00 0.00 H new ATOM 0 HD3 ARG A 55 74.812 -5.078 -4.257 1.00 0.00 H new ATOM 0 HE ARG A 55 72.754 -4.080 -3.468 1.00 0.00 H new ATOM 0 HH11 ARG A 55 71.692 -6.994 -2.680 1.00 0.00 H new ATOM 0 HH12 ARG A 55 71.522 -6.769 -0.936 1.00 0.00 H new ATOM 0 HH21 ARG A 55 73.519 -3.905 -0.858 1.00 0.00 H new ATOM 0 HH22 ARG A 55 72.546 -5.038 0.085 1.00 0.00 H new ATOM 838 N PRO A 56 72.981 -3.897 -8.106 1.00 0.00 N ATOM 839 CA PRO A 56 72.984 -3.933 -9.597 1.00 0.00 C ATOM 840 C PRO A 56 73.155 -5.356 -10.124 1.00 0.00 C ATOM 841 O PRO A 56 74.011 -6.098 -9.641 1.00 0.00 O ATOM 842 CB PRO A 56 74.158 -3.041 -10.025 1.00 0.00 C ATOM 843 CG PRO A 56 74.707 -2.401 -8.790 1.00 0.00 C ATOM 844 CD PRO A 56 74.145 -3.160 -7.586 1.00 0.00 C ATOM 0 HA PRO A 56 72.037 -3.579 -10.004 1.00 0.00 H new ATOM 0 HB2 PRO A 56 74.926 -3.631 -10.525 1.00 0.00 H new ATOM 0 HB3 PRO A 56 73.826 -2.283 -10.735 1.00 0.00 H new ATOM 0 HG2 PRO A 56 75.796 -2.438 -8.791 1.00 0.00 H new ATOM 0 HG3 PRO A 56 74.424 -1.349 -8.746 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.887 -3.840 -7.167 1.00 0.00 H new ATOM 0 HD3 PRO A 56 73.854 -2.475 -6.789 1.00 0.00 H new ATOM 852 N SER A 57 72.490 -5.655 -11.234 1.00 0.00 N ATOM 853 CA SER A 57 72.659 -6.947 -11.889 1.00 0.00 C ATOM 854 C SER A 57 74.038 -7.043 -12.535 1.00 0.00 C ATOM 855 O SER A 57 74.539 -8.139 -12.786 1.00 0.00 O ATOM 856 CB SER A 57 71.571 -7.150 -12.946 1.00 0.00 C ATOM 857 OG SER A 57 71.394 -8.541 -13.174 1.00 0.00 O ATOM 0 H SER A 57 71.834 -5.026 -11.697 1.00 0.00 H new ATOM 0 HA SER A 57 72.572 -7.730 -11.135 1.00 0.00 H new ATOM 0 HB2 SER A 57 70.635 -6.702 -12.612 1.00 0.00 H new ATOM 0 HB3 SER A 57 71.851 -6.650 -13.873 1.00 0.00 H new ATOM 0 HG SER A 57 70.697 -8.676 -13.849 1.00 0.00 H new ATOM 863 N GLY A 58 74.590 -5.889 -12.895 1.00 0.00 N ATOM 864 CA GLY A 58 75.881 -5.848 -13.572 1.00 0.00 C ATOM 865 C GLY A 58 76.987 -6.382 -12.669 1.00 0.00 C ATOM 866 O GLY A 58 77.860 -7.120 -13.125 1.00 0.00 O ATOM 0 H GLY A 58 74.167 -4.975 -12.731 1.00 0.00 H new ATOM 0 HA2 GLY A 58 75.835 -6.440 -14.486 1.00 0.00 H new ATOM 0 HA3 GLY A 58 76.109 -4.824 -13.866 1.00 0.00 H new ATOM 870 N VAL A 59 76.852 -6.152 -11.365 1.00 0.00 N ATOM 871 CA VAL A 59 77.845 -6.625 -10.405 1.00 0.00 C ATOM 872 C VAL A 59 77.270 -7.804 -9.619 1.00 0.00 C ATOM 873 O VAL A 59 76.110 -7.754 -9.205 1.00 0.00 O ATOM 874 CB VAL A 59 78.238 -5.488 -9.453 1.00 0.00 C ATOM 875 CG1 VAL A 59 78.325 -4.179 -10.241 1.00 0.00 C ATOM 876 CG2 VAL A 59 77.211 -5.338 -8.326 1.00 0.00 C ATOM 0 H VAL A 59 76.070 -5.644 -10.951 1.00 0.00 H new ATOM 0 HA VAL A 59 78.738 -6.953 -10.937 1.00 0.00 H new ATOM 0 HB VAL A 59 79.205 -5.724 -9.008 1.00 0.00 H new ATOM 0 HG11 VAL A 59 78.604 -3.368 -9.569 1.00 0.00 H new ATOM 0 HG12 VAL A 59 79.076 -4.275 -11.025 1.00 0.00 H new ATOM 0 HG13 VAL A 59 77.357 -3.960 -10.691 1.00 0.00 H new ATOM 0 HG21 VAL A 59 77.512 -4.526 -7.665 1.00 0.00 H new ATOM 0 HG22 VAL A 59 76.233 -5.115 -8.752 1.00 0.00 H new ATOM 0 HG23 VAL A 59 77.156 -6.267 -7.758 1.00 0.00 H new ATOM 886 N PRO A 60 78.063 -8.783 -9.269 1.00 0.00 N ATOM 887 CA PRO A 60 77.560 -9.952 -8.494 1.00 0.00 C ATOM 888 C PRO A 60 76.991 -9.506 -7.150 1.00 0.00 C ATOM 889 O PRO A 60 77.481 -8.547 -6.558 1.00 0.00 O ATOM 890 CB PRO A 60 78.777 -10.869 -8.309 1.00 0.00 C ATOM 891 CG PRO A 60 79.947 -10.221 -8.982 1.00 0.00 C ATOM 892 CD PRO A 60 79.455 -8.969 -9.713 1.00 0.00 C ATOM 0 HA PRO A 60 76.748 -10.466 -9.009 1.00 0.00 H new ATOM 0 HB2 PRO A 60 78.982 -11.021 -7.249 1.00 0.00 H new ATOM 0 HB3 PRO A 60 78.584 -11.851 -8.741 1.00 0.00 H new ATOM 0 HG2 PRO A 60 80.708 -9.956 -8.247 1.00 0.00 H new ATOM 0 HG3 PRO A 60 80.410 -10.913 -9.685 1.00 0.00 H new ATOM 0 HD2 PRO A 60 80.067 -8.102 -9.464 1.00 0.00 H new ATOM 0 HD3 PRO A 60 79.509 -9.098 -10.794 1.00 0.00 H new ATOM 900 N ASP A 61 75.880 -10.108 -6.738 1.00 0.00 N ATOM 901 CA ASP A 61 75.278 -9.773 -5.453 1.00 0.00 C ATOM 902 C ASP A 61 76.223 -10.064 -4.290 1.00 0.00 C ATOM 903 O ASP A 61 75.810 -10.043 -3.129 1.00 0.00 O ATOM 904 CB ASP A 61 73.952 -10.512 -5.260 1.00 0.00 C ATOM 905 CG ASP A 61 74.174 -12.020 -5.268 1.00 0.00 C ATOM 906 OD1 ASP A 61 75.295 -12.434 -5.516 1.00 0.00 O ATOM 907 OD2 ASP A 61 73.219 -12.738 -5.023 1.00 0.00 O ATOM 0 H ASP A 61 75.383 -10.823 -7.269 1.00 0.00 H new ATOM 0 HA ASP A 61 75.082 -8.701 -5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 61 73.495 -10.211 -4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 61 73.257 -10.237 -6.053 1.00 0.00 H new ATOM 912 N ARG A 62 77.421 -10.544 -4.608 1.00 0.00 N ATOM 913 CA ARG A 62 78.365 -10.959 -3.576 1.00 0.00 C ATOM 914 C ARG A 62 78.535 -9.869 -2.520 1.00 0.00 C ATOM 915 O ARG A 62 78.853 -10.158 -1.366 1.00 0.00 O ATOM 916 CB ARG A 62 79.712 -11.296 -4.221 1.00 0.00 C ATOM 917 CG ARG A 62 80.440 -10.025 -4.665 1.00 0.00 C ATOM 918 CD ARG A 62 81.743 -10.426 -5.355 1.00 0.00 C ATOM 919 NE ARG A 62 82.570 -9.243 -5.566 1.00 0.00 N ATOM 920 CZ ARG A 62 83.613 -8.979 -4.787 1.00 0.00 C ATOM 921 NH1 ARG A 62 83.532 -9.173 -3.498 1.00 0.00 N ATOM 922 NH2 ARG A 62 84.770 -8.741 -5.339 1.00 0.00 N ATOM 0 H ARG A 62 77.759 -10.655 -5.564 1.00 0.00 H new ATOM 0 HA ARG A 62 77.973 -11.846 -3.078 1.00 0.00 H new ATOM 0 HB2 ARG A 62 80.331 -11.846 -3.512 1.00 0.00 H new ATOM 0 HB3 ARG A 62 79.555 -11.949 -5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 62 79.814 -9.448 -5.345 1.00 0.00 H new ATOM 0 HG3 ARG A 62 80.648 -9.388 -3.805 1.00 0.00 H new ATOM 0 HD2 ARG A 62 82.280 -11.153 -4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 62 81.528 -10.906 -6.309 1.00 0.00 H new ATOM 0 HE ARG A 62 82.342 -8.605 -6.328 1.00 0.00 H new ATOM 0 HH11 ARG A 62 82.667 -9.527 -3.089 1.00 0.00 H new ATOM 0 HH12 ARG A 62 84.333 -8.970 -2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 62 84.864 -8.759 -6.354 1.00 0.00 H new ATOM 0 HH22 ARG A 62 85.581 -8.537 -4.755 1.00 0.00 H new ATOM 936 N PHE A 63 78.360 -8.614 -2.925 1.00 0.00 N ATOM 937 CA PHE A 63 78.489 -7.504 -1.988 1.00 0.00 C ATOM 938 C PHE A 63 77.230 -7.377 -1.142 1.00 0.00 C ATOM 939 O PHE A 63 76.115 -7.389 -1.663 1.00 0.00 O ATOM 940 CB PHE A 63 78.722 -6.189 -2.735 1.00 0.00 C ATOM 941 CG PHE A 63 79.937 -6.318 -3.622 1.00 0.00 C ATOM 942 CD1 PHE A 63 79.806 -6.901 -4.886 1.00 0.00 C ATOM 943 CD2 PHE A 63 81.177 -5.817 -3.206 1.00 0.00 C ATOM 944 CE1 PHE A 63 80.923 -7.044 -5.717 1.00 0.00 C ATOM 945 CE2 PHE A 63 82.284 -5.910 -4.059 1.00 0.00 C ATOM 946 CZ PHE A 63 82.165 -6.550 -5.298 1.00 0.00 C ATOM 0 H PHE A 63 78.132 -8.343 -3.882 1.00 0.00 H new ATOM 0 HA PHE A 63 79.344 -7.708 -1.344 1.00 0.00 H new ATOM 0 HB2 PHE A 63 77.847 -5.940 -3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 63 78.863 -5.375 -2.024 1.00 0.00 H new ATOM 0 HD1 PHE A 63 78.838 -7.243 -5.223 1.00 0.00 H new ATOM 0 HD2 PHE A 63 81.279 -5.361 -2.232 1.00 0.00 H new ATOM 0 HE1 PHE A 63 80.828 -7.532 -6.676 1.00 0.00 H new ATOM 0 HE2 PHE A 63 83.232 -5.487 -3.760 1.00 0.00 H new ATOM 0 HZ PHE A 63 83.032 -6.663 -5.932 1.00 0.00 H new ATOM 956 N SER A 64 77.416 -7.258 0.169 1.00 0.00 N ATOM 957 CA SER A 64 76.285 -7.125 1.080 1.00 0.00 C ATOM 958 C SER A 64 76.246 -5.743 1.714 1.00 0.00 C ATOM 959 O SER A 64 76.972 -5.482 2.664 1.00 0.00 O ATOM 960 CB SER A 64 76.340 -8.210 2.156 1.00 0.00 C ATOM 961 OG SER A 64 75.045 -8.422 2.698 1.00 0.00 O ATOM 0 H SER A 64 78.330 -7.251 0.621 1.00 0.00 H new ATOM 0 HA SER A 64 75.369 -7.251 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 64 76.721 -9.138 1.729 1.00 0.00 H new ATOM 0 HB3 SER A 64 77.030 -7.915 2.946 1.00 0.00 H new ATOM 0 HG SER A 64 75.088 -9.119 3.385 1.00 0.00 H new ATOM 967 N GLY A 65 75.105 -5.097 1.517 1.00 0.00 N ATOM 968 CA GLY A 65 74.860 -3.761 2.041 1.00 0.00 C ATOM 969 C GLY A 65 73.687 -3.766 3.014 1.00 0.00 C ATOM 970 O GLY A 65 72.594 -4.215 2.673 1.00 0.00 O ATOM 0 H GLY A 65 74.323 -5.485 0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 65 75.754 -3.394 2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 65 74.653 -3.076 1.219 1.00 0.00 H new ATOM 974 N SER A 66 73.940 -3.325 4.244 1.00 0.00 N ATOM 975 CA SER A 66 72.895 -3.284 5.259 1.00 0.00 C ATOM 976 C SER A 66 73.207 -2.231 6.317 1.00 0.00 C ATOM 977 O SER A 66 74.362 -1.858 6.524 1.00 0.00 O ATOM 978 CB SER A 66 72.767 -4.652 5.932 1.00 0.00 C ATOM 979 OG SER A 66 73.691 -4.734 7.009 1.00 0.00 O ATOM 0 H SER A 66 74.852 -2.994 4.558 1.00 0.00 H new ATOM 0 HA SER A 66 71.956 -3.024 4.769 1.00 0.00 H new ATOM 0 HB2 SER A 66 71.750 -4.796 6.298 1.00 0.00 H new ATOM 0 HB3 SER A 66 72.961 -5.445 5.210 1.00 0.00 H new ATOM 0 HG SER A 66 73.610 -5.609 7.443 1.00 0.00 H new ATOM 985 N ILE A 67 72.159 -1.764 6.987 1.00 0.00 N ATOM 986 CA ILE A 67 72.279 -0.720 7.999 1.00 0.00 C ATOM 987 C ILE A 67 71.509 -1.100 9.258 1.00 0.00 C ATOM 988 O ILE A 67 70.874 -2.154 9.301 1.00 0.00 O ATOM 989 CB ILE A 67 71.712 0.593 7.453 1.00 0.00 C ATOM 990 CG1 ILE A 67 70.250 0.402 7.019 1.00 0.00 C ATOM 991 CG2 ILE A 67 72.565 1.059 6.270 1.00 0.00 C ATOM 992 CD1 ILE A 67 69.280 0.889 8.099 1.00 0.00 C ATOM 0 H ILE A 67 71.205 -2.097 6.845 1.00 0.00 H new ATOM 0 HA ILE A 67 73.334 -0.602 8.246 1.00 0.00 H new ATOM 0 HB ILE A 67 71.739 1.352 8.235 1.00 0.00 H new ATOM 0 HG12 ILE A 67 70.069 0.947 6.093 1.00 0.00 H new ATOM 0 HG13 ILE A 67 70.065 -0.652 6.810 1.00 0.00 H new ATOM 0 HG21 ILE A 67 72.164 1.994 5.878 1.00 0.00 H new ATOM 0 HG22 ILE A 67 73.592 1.215 6.601 1.00 0.00 H new ATOM 0 HG23 ILE A 67 72.547 0.301 5.487 1.00 0.00 H new ATOM 0 HD11 ILE A 67 68.255 0.740 7.761 1.00 0.00 H new ATOM 0 HD12 ILE A 67 69.445 0.325 9.017 1.00 0.00 H new ATOM 0 HD13 ILE A 67 69.449 1.949 8.289 1.00 0.00 H new ATOM 1004 N ASP A 68 71.899 -0.460 10.355 1.00 0.00 N ATOM 1005 CA ASP A 68 71.247 -0.660 11.647 1.00 0.00 C ATOM 1006 C ASP A 68 70.313 0.491 12.012 1.00 0.00 C ATOM 1007 O ASP A 68 70.645 1.656 11.795 1.00 0.00 O ATOM 1008 CB ASP A 68 72.323 -0.862 12.714 1.00 0.00 C ATOM 1009 CG ASP A 68 73.005 -2.209 12.496 1.00 0.00 C ATOM 1010 OD1 ASP A 68 72.451 -3.024 11.777 1.00 0.00 O ATOM 1011 OD2 ASP A 68 74.122 -2.364 12.958 1.00 0.00 O ATOM 0 H ASP A 68 72.670 0.207 10.376 1.00 0.00 H new ATOM 0 HA ASP A 68 70.617 -1.548 11.585 1.00 0.00 H new ATOM 0 HB2 ASP A 68 73.057 -0.058 12.663 1.00 0.00 H new ATOM 0 HB3 ASP A 68 71.877 -0.824 13.708 1.00 0.00 H new ATOM 1016 N SER A 69 69.249 0.175 12.744 1.00 0.00 N ATOM 1017 CA SER A 69 68.335 1.204 13.228 1.00 0.00 C ATOM 1018 C SER A 69 69.024 2.079 14.271 1.00 0.00 C ATOM 1019 O SER A 69 68.436 3.033 14.781 1.00 0.00 O ATOM 1020 CB SER A 69 67.092 0.560 13.847 1.00 0.00 C ATOM 1021 OG SER A 69 66.639 -0.497 13.013 1.00 0.00 O ATOM 0 H SER A 69 69.000 -0.777 13.013 1.00 0.00 H new ATOM 0 HA SER A 69 68.037 1.823 12.381 1.00 0.00 H new ATOM 0 HB2 SER A 69 67.324 0.178 14.841 1.00 0.00 H new ATOM 0 HB3 SER A 69 66.305 1.305 13.967 1.00 0.00 H new ATOM 0 HG SER A 69 65.844 -0.910 13.411 1.00 0.00 H new ATOM 1027 N SER A 70 70.238 1.691 14.648 1.00 0.00 N ATOM 1028 CA SER A 70 71.012 2.452 15.621 1.00 0.00 C ATOM 1029 C SER A 70 71.357 3.836 15.080 1.00 0.00 C ATOM 1030 O SER A 70 71.447 4.797 15.842 1.00 0.00 O ATOM 1031 CB SER A 70 72.294 1.691 15.965 1.00 0.00 C ATOM 1032 OG SER A 70 71.992 0.668 16.903 1.00 0.00 O ATOM 0 H SER A 70 70.706 0.856 14.295 1.00 0.00 H new ATOM 0 HA SER A 70 70.410 2.579 16.521 1.00 0.00 H new ATOM 0 HB2 SER A 70 72.727 1.258 15.063 1.00 0.00 H new ATOM 0 HB3 SER A 70 73.036 2.373 16.379 1.00 0.00 H new ATOM 0 HG SER A 70 72.810 0.176 17.125 1.00 0.00 H new ATOM 1038 N SER A 71 71.749 3.875 13.811 1.00 0.00 N ATOM 1039 CA SER A 71 72.199 5.112 13.182 1.00 0.00 C ATOM 1040 C SER A 71 73.637 5.426 13.581 1.00 0.00 C ATOM 1041 O SER A 71 74.000 6.587 13.769 1.00 0.00 O ATOM 1042 CB SER A 71 71.286 6.293 13.521 1.00 0.00 C ATOM 1043 OG SER A 71 71.650 6.844 14.777 1.00 0.00 O ATOM 0 H SER A 71 71.764 3.061 13.196 1.00 0.00 H new ATOM 0 HA SER A 71 72.154 4.959 12.104 1.00 0.00 H new ATOM 0 HB2 SER A 71 71.360 7.055 12.745 1.00 0.00 H new ATOM 0 HB3 SER A 71 70.247 5.964 13.546 1.00 0.00 H new ATOM 0 HG SER A 71 71.689 6.131 15.448 1.00 0.00 H new ATOM 1049 N ASN A 72 74.421 4.377 13.813 1.00 0.00 N ATOM 1050 CA ASN A 72 75.805 4.533 14.252 1.00 0.00 C ATOM 1051 C ASN A 72 76.755 4.429 13.063 1.00 0.00 C ATOM 1052 O ASN A 72 77.735 5.169 12.972 1.00 0.00 O ATOM 1053 CB ASN A 72 76.145 3.450 15.280 1.00 0.00 C ATOM 1054 CG ASN A 72 77.342 3.878 16.124 1.00 0.00 C ATOM 1055 OD1 ASN A 72 78.485 3.772 15.679 1.00 0.00 O ATOM 1056 ND2 ASN A 72 77.144 4.386 17.310 1.00 0.00 N ATOM 0 H ASN A 72 74.121 3.408 13.704 1.00 0.00 H new ATOM 0 HA ASN A 72 75.920 5.516 14.708 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.285 3.267 15.924 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.367 2.512 14.771 1.00 0.00 H new ATOM 0 HD21 ASN A 72 77.937 4.696 17.871 1.00 0.00 H new ATOM 0 HD22 ASN A 72 76.196 4.473 17.676 1.00 0.00 H new ATOM 1063 N SER A 73 76.501 3.455 12.195 1.00 0.00 N ATOM 1064 CA SER A 73 77.328 3.296 11.004 1.00 0.00 C ATOM 1065 C SER A 73 76.662 2.337 10.020 1.00 0.00 C ATOM 1066 O SER A 73 75.918 1.450 10.438 1.00 0.00 O ATOM 1067 CB SER A 73 78.714 2.782 11.392 1.00 0.00 C ATOM 1068 OG SER A 73 78.621 1.417 11.772 1.00 0.00 O ATOM 0 H SER A 73 75.745 2.777 12.290 1.00 0.00 H new ATOM 0 HA SER A 73 77.437 4.267 10.521 1.00 0.00 H new ATOM 0 HB2 SER A 73 79.402 2.892 10.554 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.116 3.373 12.215 1.00 0.00 H new ATOM 0 HG SER A 73 79.509 1.085 12.020 1.00 0.00 H new ATOM 1074 N ALA A 74 77.180 2.282 8.796 1.00 0.00 N ATOM 1075 CA ALA A 74 76.609 1.407 7.776 1.00 0.00 C ATOM 1076 C ALA A 74 77.547 0.229 7.534 1.00 0.00 C ATOM 1077 O ALA A 74 78.744 0.410 7.312 1.00 0.00 O ATOM 1078 CB ALA A 74 76.426 2.174 6.464 1.00 0.00 C ATOM 0 H ALA A 74 77.986 2.827 8.488 1.00 0.00 H new ATOM 0 HA ALA A 74 75.640 1.048 8.123 1.00 0.00 H new ATOM 0 HB1 ALA A 74 76.000 1.511 5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 74 75.755 3.018 6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 74 77.393 2.540 6.119 1.00 0.00 H new ATOM 1084 N SER A 75 77.004 -0.972 7.718 1.00 0.00 N ATOM 1085 CA SER A 75 77.813 -2.197 7.725 1.00 0.00 C ATOM 1086 C SER A 75 77.488 -3.124 6.556 1.00 0.00 C ATOM 1087 O SER A 75 76.324 -3.152 6.155 1.00 0.00 O ATOM 1088 CB SER A 75 77.562 -2.990 9.010 1.00 0.00 C ATOM 1089 OG SER A 75 77.575 -2.114 10.126 1.00 0.00 O ATOM 0 H SER A 75 76.007 -1.127 7.865 1.00 0.00 H new ATOM 0 HA SER A 75 78.851 -1.872 7.648 1.00 0.00 H new ATOM 0 HB2 SER A 75 76.602 -3.503 8.950 1.00 0.00 H new ATOM 0 HB3 SER A 75 78.327 -3.758 9.130 1.00 0.00 H new ATOM 0 HG SER A 75 77.412 -2.626 10.946 1.00 0.00 H new ATOM 1095 N LEU A 76 78.470 -3.254 5.671 1.00 0.00 N ATOM 1096 CA LEU A 76 78.499 -4.251 4.601 1.00 0.00 C ATOM 1097 C LEU A 76 79.293 -5.534 4.861 1.00 0.00 C ATOM 1098 O LEU A 76 80.450 -5.447 5.262 1.00 0.00 O ATOM 1099 CB LEU A 76 78.854 -3.541 3.293 1.00 0.00 C ATOM 1100 CG LEU A 76 79.510 -4.511 2.302 1.00 0.00 C ATOM 1101 CD1 LEU A 76 79.370 -3.918 0.895 1.00 0.00 C ATOM 1102 CD2 LEU A 76 80.982 -4.710 2.691 1.00 0.00 C ATOM 0 H LEU A 76 79.293 -2.652 5.676 1.00 0.00 H new ATOM 0 HA LEU A 76 77.496 -4.673 4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 76 77.953 -3.116 2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 76 79.531 -2.711 3.497 1.00 0.00 H new ATOM 0 HG LEU A 76 79.027 -5.488 2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 76 79.829 -4.590 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 76 78.314 -3.793 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 76 79.867 -2.949 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 76 81.454 -5.399 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 76 81.499 -3.751 2.661 1.00 0.00 H new ATOM 0 HD23 LEU A 76 81.040 -5.122 3.699 1.00 0.00 H new ATOM 1114 N THR A 77 78.780 -6.686 4.420 1.00 0.00 N ATOM 1115 CA THR A 77 79.566 -7.920 4.318 1.00 0.00 C ATOM 1116 C THR A 77 79.830 -8.347 2.869 1.00 0.00 C ATOM 1117 O THR A 77 78.924 -8.819 2.185 1.00 0.00 O ATOM 1118 CB THR A 77 78.769 -8.991 5.068 1.00 0.00 C ATOM 1119 OG1 THR A 77 79.041 -8.889 6.458 1.00 0.00 O ATOM 1120 CG2 THR A 77 79.098 -10.413 4.604 1.00 0.00 C ATOM 0 H THR A 77 77.809 -6.790 4.124 1.00 0.00 H new ATOM 0 HA THR A 77 80.555 -7.767 4.749 1.00 0.00 H new ATOM 0 HB THR A 77 77.715 -8.812 4.856 1.00 0.00 H new ATOM 0 HG1 THR A 77 79.994 -8.702 6.592 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.502 -11.128 5.172 1.00 0.00 H new ATOM 0 HG22 THR A 77 78.869 -10.512 3.543 1.00 0.00 H new ATOM 0 HG23 THR A 77 80.157 -10.613 4.767 1.00 0.00 H new ATOM 1128 N ILE A 78 81.100 -8.573 2.541 1.00 0.00 N ATOM 1129 CA ILE A 78 81.477 -9.158 1.254 1.00 0.00 C ATOM 1130 C ILE A 78 81.624 -10.672 1.367 1.00 0.00 C ATOM 1131 O ILE A 78 82.595 -11.163 1.943 1.00 0.00 O ATOM 1132 CB ILE A 78 82.821 -8.595 0.780 1.00 0.00 C ATOM 1133 CG1 ILE A 78 82.814 -7.068 0.883 1.00 0.00 C ATOM 1134 CG2 ILE A 78 83.134 -9.028 -0.661 1.00 0.00 C ATOM 1135 CD1 ILE A 78 81.613 -6.505 0.129 1.00 0.00 C ATOM 0 H ILE A 78 81.889 -8.359 3.151 1.00 0.00 H new ATOM 0 HA ILE A 78 80.688 -8.910 0.544 1.00 0.00 H new ATOM 0 HB ILE A 78 83.602 -8.996 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 78 82.773 -6.765 1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 78 83.737 -6.662 0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 78 84.094 -8.611 -0.966 1.00 0.00 H new ATOM 0 HG22 ILE A 78 83.178 -10.116 -0.713 1.00 0.00 H new ATOM 0 HG23 ILE A 78 82.353 -8.664 -1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 78 81.613 -5.418 0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 78 81.673 -6.795 -0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 78 80.694 -6.899 0.562 1.00 0.00 H new ATOM 1147 N SER A 79 80.738 -11.412 0.706 1.00 0.00 N ATOM 1148 CA SER A 79 80.816 -12.871 0.678 1.00 0.00 C ATOM 1149 C SER A 79 81.474 -13.352 -0.612 1.00 0.00 C ATOM 1150 O SER A 79 80.992 -13.061 -1.705 1.00 0.00 O ATOM 1151 CB SER A 79 79.404 -13.452 0.813 1.00 0.00 C ATOM 1152 OG SER A 79 79.155 -14.400 -0.214 1.00 0.00 O ATOM 0 H SER A 79 79.955 -11.024 0.180 1.00 0.00 H new ATOM 0 HA SER A 79 81.429 -13.214 1.511 1.00 0.00 H new ATOM 0 HB2 SER A 79 79.291 -13.926 1.788 1.00 0.00 H new ATOM 0 HB3 SER A 79 78.668 -12.650 0.761 1.00 0.00 H new ATOM 0 HG SER A 79 78.250 -14.762 -0.112 1.00 0.00 H new ATOM 1158 N GLY A 80 82.476 -14.216 -0.483 1.00 0.00 N ATOM 1159 CA GLY A 80 83.140 -14.784 -1.652 1.00 0.00 C ATOM 1160 C GLY A 80 84.126 -13.790 -2.258 1.00 0.00 C ATOM 1161 O GLY A 80 84.017 -13.420 -3.427 1.00 0.00 O ATOM 0 H GLY A 80 82.844 -14.537 0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 80 83.665 -15.696 -1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 80 82.396 -15.063 -2.397 1.00 0.00 H new ATOM 1165 N LEU A 81 85.087 -13.364 -1.446 1.00 0.00 N ATOM 1166 CA LEU A 81 86.127 -12.448 -1.901 1.00 0.00 C ATOM 1167 C LEU A 81 87.143 -13.182 -2.767 1.00 0.00 C ATOM 1168 O LEU A 81 87.573 -14.289 -2.439 1.00 0.00 O ATOM 1169 CB LEU A 81 86.814 -11.816 -0.687 1.00 0.00 C ATOM 1170 CG LEU A 81 88.075 -11.041 -1.098 1.00 0.00 C ATOM 1171 CD1 LEU A 81 88.199 -9.756 -0.275 1.00 0.00 C ATOM 1172 CD2 LEU A 81 89.334 -11.875 -0.845 1.00 0.00 C ATOM 0 H LEU A 81 85.168 -13.639 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 81 85.673 -11.662 -2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 81 86.120 -11.144 -0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 81 87.080 -12.594 0.029 1.00 0.00 H new ATOM 0 HG LEU A 81 87.985 -10.811 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 81 89.097 -9.216 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 81 87.324 -9.129 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 81 88.265 -10.007 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 81 90.214 -11.305 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 81 89.402 -12.119 0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 81 89.283 -12.796 -1.426 1.00 0.00 H new ATOM 1184 N LYS A 82 87.562 -12.533 -3.849 1.00 0.00 N ATOM 1185 CA LYS A 82 88.578 -13.093 -4.732 1.00 0.00 C ATOM 1186 C LYS A 82 89.459 -11.977 -5.278 1.00 0.00 C ATOM 1187 O LYS A 82 89.138 -10.797 -5.144 1.00 0.00 O ATOM 1188 CB LYS A 82 87.891 -13.855 -5.875 1.00 0.00 C ATOM 1189 CG LYS A 82 88.034 -15.370 -5.694 1.00 0.00 C ATOM 1190 CD LYS A 82 86.888 -16.117 -6.380 1.00 0.00 C ATOM 1191 CE LYS A 82 87.041 -17.617 -6.121 1.00 0.00 C ATOM 1192 NZ LYS A 82 85.841 -18.339 -6.629 1.00 0.00 N ATOM 0 H LYS A 82 87.213 -11.618 -4.135 1.00 0.00 H new ATOM 0 HA LYS A 82 89.210 -13.786 -4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 82 86.835 -13.588 -5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 82 88.327 -13.557 -6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 82 88.987 -15.701 -6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 82 88.046 -15.613 -4.631 1.00 0.00 H new ATOM 0 HD2 LYS A 82 85.929 -15.766 -5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 82 86.898 -15.918 -7.452 1.00 0.00 H new ATOM 0 HE2 LYS A 82 87.938 -17.991 -6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 82 87.163 -17.801 -5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 85.948 -19.358 -6.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 84.993 -17.990 -6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 85.744 -18.174 -7.651 1.00 0.00 H new ATOM 1206 N THR A 83 90.483 -12.369 -6.028 1.00 0.00 N ATOM 1207 CA THR A 83 91.349 -11.395 -6.680 1.00 0.00 C ATOM 1208 C THR A 83 90.492 -10.326 -7.348 1.00 0.00 C ATOM 1209 O THR A 83 90.992 -9.275 -7.748 1.00 0.00 O ATOM 1210 CB THR A 83 92.247 -12.081 -7.715 1.00 0.00 C ATOM 1211 OG1 THR A 83 91.599 -12.086 -8.978 1.00 0.00 O ATOM 1212 CG2 THR A 83 92.532 -13.522 -7.286 1.00 0.00 C ATOM 0 H THR A 83 90.732 -13.343 -6.198 1.00 0.00 H new ATOM 0 HA THR A 83 91.990 -10.929 -5.931 1.00 0.00 H new ATOM 0 HB THR A 83 93.187 -11.535 -7.788 1.00 0.00 H new ATOM 0 HG1 THR A 83 92.175 -12.523 -9.639 1.00 0.00 H new ATOM 0 HG21 THR A 83 93.171 -14.003 -8.027 1.00 0.00 H new ATOM 0 HG22 THR A 83 93.035 -13.521 -6.319 1.00 0.00 H new ATOM 0 HG23 THR A 83 91.593 -14.070 -7.206 1.00 0.00 H new ATOM 1220 N GLU A 84 89.222 -10.658 -7.559 1.00 0.00 N ATOM 1221 CA GLU A 84 88.298 -9.688 -8.136 1.00 0.00 C ATOM 1222 C GLU A 84 87.990 -8.560 -7.157 1.00 0.00 C ATOM 1223 O GLU A 84 87.886 -7.401 -7.560 1.00 0.00 O ATOM 1224 CB GLU A 84 87.002 -10.384 -8.554 1.00 0.00 C ATOM 1225 CG GLU A 84 87.252 -11.210 -9.818 1.00 0.00 C ATOM 1226 CD GLU A 84 87.467 -10.288 -11.012 1.00 0.00 C ATOM 1227 OE1 GLU A 84 87.034 -9.149 -10.941 1.00 0.00 O ATOM 1228 OE2 GLU A 84 88.061 -10.733 -11.981 1.00 0.00 O ATOM 0 H GLU A 84 88.816 -11.569 -7.345 1.00 0.00 H new ATOM 0 HA GLU A 84 88.775 -9.251 -9.013 1.00 0.00 H new ATOM 0 HB2 GLU A 84 86.647 -11.028 -7.750 1.00 0.00 H new ATOM 0 HB3 GLU A 84 86.222 -9.645 -8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 84 88.125 -11.847 -9.679 1.00 0.00 H new ATOM 0 HG3 GLU A 84 86.404 -11.868 -10.005 1.00 0.00 H new ATOM 1235 N ASP A 85 87.857 -8.886 -5.874 1.00 0.00 N ATOM 1236 CA ASP A 85 87.536 -7.857 -4.892 1.00 0.00 C ATOM 1237 C ASP A 85 88.698 -6.882 -4.740 1.00 0.00 C ATOM 1238 O ASP A 85 88.613 -5.921 -3.974 1.00 0.00 O ATOM 1239 CB ASP A 85 87.206 -8.505 -3.542 1.00 0.00 C ATOM 1240 CG ASP A 85 86.188 -7.666 -2.775 1.00 0.00 C ATOM 1241 OD1 ASP A 85 85.132 -7.408 -3.327 1.00 0.00 O ATOM 1242 OD2 ASP A 85 86.474 -7.301 -1.647 1.00 0.00 O ATOM 0 H ASP A 85 87.963 -9.828 -5.498 1.00 0.00 H new ATOM 0 HA ASP A 85 86.665 -7.302 -5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 85 86.811 -9.508 -3.702 1.00 0.00 H new ATOM 0 HB3 ASP A 85 88.116 -8.611 -2.952 1.00 0.00 H new ATOM 1247 N GLU A 86 89.819 -7.193 -5.383 1.00 0.00 N ATOM 1248 CA GLU A 86 90.994 -6.336 -5.292 1.00 0.00 C ATOM 1249 C GLU A 86 90.731 -4.999 -5.977 1.00 0.00 C ATOM 1250 O GLU A 86 90.443 -4.956 -7.173 1.00 0.00 O ATOM 1251 CB GLU A 86 92.184 -7.029 -5.961 1.00 0.00 C ATOM 1252 CG GLU A 86 93.493 -6.333 -5.580 1.00 0.00 C ATOM 1253 CD GLU A 86 94.676 -7.258 -5.850 1.00 0.00 C ATOM 1254 OE1 GLU A 86 95.046 -7.986 -4.944 1.00 0.00 O ATOM 1255 OE2 GLU A 86 95.217 -7.197 -6.941 1.00 0.00 O ATOM 0 H GLU A 86 89.938 -8.022 -5.966 1.00 0.00 H new ATOM 0 HA GLU A 86 91.217 -6.154 -4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.220 -8.076 -5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 86 92.059 -7.014 -7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 86 93.604 -5.412 -6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.472 -6.054 -4.527 1.00 0.00 H new ATOM 1262 N ALA A 87 90.853 -3.913 -5.220 1.00 0.00 N ATOM 1263 CA ALA A 87 90.617 -2.577 -5.756 1.00 0.00 C ATOM 1264 C ALA A 87 90.408 -1.582 -4.617 1.00 0.00 C ATOM 1265 O ALA A 87 90.480 -1.936 -3.440 1.00 0.00 O ATOM 1266 CB ALA A 87 89.396 -2.581 -6.682 1.00 0.00 C ATOM 0 H ALA A 87 91.114 -3.932 -4.234 1.00 0.00 H new ATOM 0 HA ALA A 87 91.491 -2.275 -6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.233 -1.577 -7.074 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.569 -3.270 -7.509 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.516 -2.899 -6.123 1.00 0.00 H new ATOM 1272 N ASP A 88 90.204 -0.320 -4.979 1.00 0.00 N ATOM 1273 CA ASP A 88 89.919 0.721 -3.998 1.00 0.00 C ATOM 1274 C ASP A 88 88.422 0.798 -3.717 1.00 0.00 C ATOM 1275 O ASP A 88 87.618 0.913 -4.642 1.00 0.00 O ATOM 1276 CB ASP A 88 90.421 2.066 -4.527 1.00 0.00 C ATOM 1277 CG ASP A 88 91.933 2.017 -4.721 1.00 0.00 C ATOM 1278 OD1 ASP A 88 92.584 1.310 -3.970 1.00 0.00 O ATOM 1279 OD2 ASP A 88 92.413 2.657 -5.641 1.00 0.00 O ATOM 0 H ASP A 88 90.231 0.007 -5.945 1.00 0.00 H new ATOM 0 HA ASP A 88 90.431 0.480 -3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 88 89.932 2.300 -5.473 1.00 0.00 H new ATOM 0 HB3 ASP A 88 90.161 2.861 -3.828 1.00 0.00 H new ATOM 1284 N TYR A 89 88.060 0.875 -2.439 1.00 0.00 N ATOM 1285 CA TYR A 89 86.656 0.946 -2.041 1.00 0.00 C ATOM 1286 C TYR A 89 86.366 2.306 -1.415 1.00 0.00 C ATOM 1287 O TYR A 89 87.080 2.754 -0.518 1.00 0.00 O ATOM 1288 CB TYR A 89 86.360 -0.153 -1.014 1.00 0.00 C ATOM 1289 CG TYR A 89 86.211 -1.486 -1.711 1.00 0.00 C ATOM 1290 CD1 TYR A 89 87.287 -2.020 -2.430 1.00 0.00 C ATOM 1291 CD2 TYR A 89 85.025 -2.221 -1.579 1.00 0.00 C ATOM 1292 CE1 TYR A 89 87.156 -3.259 -3.069 1.00 0.00 C ATOM 1293 CE2 TYR A 89 84.892 -3.458 -2.222 1.00 0.00 C ATOM 1294 CZ TYR A 89 85.954 -3.970 -2.978 1.00 0.00 C ATOM 1295 OH TYR A 89 85.824 -5.186 -3.616 1.00 0.00 O ATOM 0 H TYR A 89 88.719 0.890 -1.661 1.00 0.00 H new ATOM 0 HA TYR A 89 86.027 0.808 -2.921 1.00 0.00 H new ATOM 0 HB2 TYR A 89 87.166 -0.204 -0.282 1.00 0.00 H new ATOM 0 HB3 TYR A 89 85.447 0.085 -0.468 1.00 0.00 H new ATOM 0 HD1 TYR A 89 88.218 -1.476 -2.492 1.00 0.00 H new ATOM 0 HD2 TYR A 89 84.213 -1.833 -0.981 1.00 0.00 H new ATOM 0 HE1 TYR A 89 87.983 -3.666 -3.632 1.00 0.00 H new ATOM 0 HE2 TYR A 89 83.972 -4.016 -2.135 1.00 0.00 H new ATOM 0 HH TYR A 89 85.067 -5.677 -3.233 1.00 0.00 H new ATOM 1305 N TYR A 90 85.273 2.924 -1.853 1.00 0.00 N ATOM 1306 CA TYR A 90 84.858 4.218 -1.322 1.00 0.00 C ATOM 1307 C TYR A 90 83.341 4.373 -1.412 1.00 0.00 C ATOM 1308 O TYR A 90 82.729 3.895 -2.368 1.00 0.00 O ATOM 1309 CB TYR A 90 85.569 5.340 -2.085 1.00 0.00 C ATOM 1310 CG TYR A 90 85.541 5.063 -3.570 1.00 0.00 C ATOM 1311 CD1 TYR A 90 86.369 4.067 -4.102 1.00 0.00 C ATOM 1312 CD2 TYR A 90 84.880 5.943 -4.436 1.00 0.00 C ATOM 1313 CE1 TYR A 90 86.358 3.814 -5.479 1.00 0.00 C ATOM 1314 CE2 TYR A 90 84.947 5.751 -5.821 1.00 0.00 C ATOM 1315 CZ TYR A 90 85.683 4.682 -6.345 1.00 0.00 C ATOM 1316 OH TYR A 90 85.661 4.425 -7.701 1.00 0.00 O ATOM 0 H TYR A 90 84.658 2.549 -2.575 1.00 0.00 H new ATOM 0 HA TYR A 90 85.137 4.279 -0.270 1.00 0.00 H new ATOM 0 HB2 TYR A 90 85.085 6.294 -1.877 1.00 0.00 H new ATOM 0 HB3 TYR A 90 86.601 5.425 -1.743 1.00 0.00 H new ATOM 0 HD1 TYR A 90 87.015 3.495 -3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 90 84.317 6.772 -4.034 1.00 0.00 H new ATOM 0 HE1 TYR A 90 86.870 2.949 -5.873 1.00 0.00 H new ATOM 0 HE2 TYR A 90 84.431 6.428 -6.485 1.00 0.00 H new ATOM 0 HH TYR A 90 85.922 5.233 -8.191 1.00 0.00 H new ATOM 1326 N CYS A 91 82.764 5.162 -0.505 1.00 0.00 N ATOM 1327 CA CYS A 91 81.312 5.289 -0.373 1.00 0.00 C ATOM 1328 C CYS A 91 80.918 6.763 -0.286 1.00 0.00 C ATOM 1329 O CYS A 91 81.783 7.594 -0.010 1.00 0.00 O ATOM 1330 CB CYS A 91 80.770 4.454 0.810 1.00 0.00 C ATOM 1331 SG CYS A 91 81.387 4.880 2.475 1.00 0.00 S ATOM 0 H CYS A 91 83.290 5.731 0.159 1.00 0.00 H new ATOM 0 HA CYS A 91 80.843 4.877 -1.267 1.00 0.00 H new ATOM 0 HB2 CYS A 91 79.684 4.543 0.818 1.00 0.00 H new ATOM 0 HB3 CYS A 91 81.003 3.406 0.620 1.00 0.00 H new ATOM 1336 N GLN A 92 79.780 7.124 -0.886 1.00 0.00 N ATOM 1337 CA GLN A 92 79.327 8.516 -0.874 1.00 0.00 C ATOM 1338 C GLN A 92 78.020 8.648 -0.097 1.00 0.00 C ATOM 1339 O GLN A 92 77.167 7.763 -0.161 1.00 0.00 O ATOM 1340 CB GLN A 92 79.113 9.060 -2.291 1.00 0.00 C ATOM 1341 CG GLN A 92 80.275 8.668 -3.210 1.00 0.00 C ATOM 1342 CD GLN A 92 80.411 9.658 -4.363 1.00 0.00 C ATOM 1343 OE1 GLN A 92 81.469 10.261 -4.539 1.00 0.00 O ATOM 1344 NE2 GLN A 92 79.414 9.839 -5.186 1.00 0.00 N ATOM 0 H GLN A 92 79.163 6.480 -1.380 1.00 0.00 H new ATOM 0 HA GLN A 92 80.111 9.098 -0.390 1.00 0.00 H new ATOM 0 HB2 GLN A 92 78.178 8.673 -2.696 1.00 0.00 H new ATOM 0 HB3 GLN A 92 79.021 10.146 -2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 92 81.203 8.639 -2.639 1.00 0.00 H new ATOM 0 HG3 GLN A 92 80.111 7.665 -3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 92 78.536 9.340 -5.041 1.00 0.00 H new ATOM 0 HE22 GLN A 92 79.513 10.480 -5.974 1.00 0.00 H new ATOM 1353 N SER A 93 77.827 9.786 0.567 1.00 0.00 N ATOM 1354 CA SER A 93 76.598 10.033 1.316 1.00 0.00 C ATOM 1355 C SER A 93 76.074 11.440 1.050 1.00 0.00 C ATOM 1356 O SER A 93 76.697 12.431 1.434 1.00 0.00 O ATOM 1357 CB SER A 93 76.874 9.860 2.811 1.00 0.00 C ATOM 1358 OG SER A 93 77.883 10.773 3.217 1.00 0.00 O ATOM 0 H SER A 93 78.504 10.549 0.601 1.00 0.00 H new ATOM 0 HA SER A 93 75.841 9.318 0.993 1.00 0.00 H new ATOM 0 HB2 SER A 93 75.962 10.033 3.382 1.00 0.00 H new ATOM 0 HB3 SER A 93 77.190 8.837 3.017 1.00 0.00 H new ATOM 0 HG SER A 93 77.986 11.470 2.536 1.00 0.00 H new ATOM 1364 N TYR A 94 74.866 11.508 0.500 1.00 0.00 N ATOM 1365 CA TYR A 94 74.209 12.787 0.256 1.00 0.00 C ATOM 1366 C TYR A 94 72.701 12.611 0.112 1.00 0.00 C ATOM 1367 O TYR A 94 72.239 11.740 -0.625 1.00 0.00 O ATOM 1368 CB TYR A 94 74.798 13.456 -0.987 1.00 0.00 C ATOM 1369 CG TYR A 94 74.738 12.492 -2.146 1.00 0.00 C ATOM 1370 CD1 TYR A 94 73.574 12.410 -2.919 1.00 0.00 C ATOM 1371 CD2 TYR A 94 75.798 11.606 -2.378 1.00 0.00 C ATOM 1372 CE1 TYR A 94 73.502 11.499 -3.979 1.00 0.00 C ATOM 1373 CE2 TYR A 94 75.730 10.701 -3.444 1.00 0.00 C ATOM 1374 CZ TYR A 94 74.580 10.643 -4.241 1.00 0.00 C ATOM 1375 OH TYR A 94 74.510 9.747 -5.288 1.00 0.00 O ATOM 0 H TYR A 94 74.323 10.693 0.215 1.00 0.00 H new ATOM 0 HA TYR A 94 74.387 13.432 1.116 1.00 0.00 H new ATOM 0 HB2 TYR A 94 74.242 14.363 -1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 94 75.830 13.754 -0.800 1.00 0.00 H new ATOM 0 HD1 TYR A 94 72.732 13.049 -2.698 1.00 0.00 H new ATOM 0 HD2 TYR A 94 76.666 11.621 -1.736 1.00 0.00 H new ATOM 0 HE1 TYR A 94 72.616 11.456 -4.595 1.00 0.00 H new ATOM 0 HE2 TYR A 94 76.564 10.048 -3.652 1.00 0.00 H new ATOM 0 HH TYR A 94 75.341 9.230 -5.332 1.00 0.00 H new ATOM 1385 N ASP A 95 71.940 13.433 0.830 1.00 0.00 N ATOM 1386 CA ASP A 95 70.481 13.368 0.791 1.00 0.00 C ATOM 1387 C ASP A 95 69.920 14.627 0.135 1.00 0.00 C ATOM 1388 O ASP A 95 70.634 15.349 -0.562 1.00 0.00 O ATOM 1389 CB ASP A 95 69.941 13.213 2.219 1.00 0.00 C ATOM 1390 CG ASP A 95 68.869 12.130 2.297 1.00 0.00 C ATOM 1391 OD1 ASP A 95 67.977 12.151 1.464 1.00 0.00 O ATOM 1392 OD2 ASP A 95 69.023 11.232 3.109 1.00 0.00 O ATOM 0 H ASP A 95 72.311 14.155 1.448 1.00 0.00 H new ATOM 0 HA ASP A 95 70.168 12.507 0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 95 70.760 12.965 2.894 1.00 0.00 H new ATOM 0 HB3 ASP A 95 69.526 14.162 2.557 1.00 0.00 H new ATOM 1397 N SER A 96 68.645 14.900 0.394 1.00 0.00 N ATOM 1398 CA SER A 96 67.981 16.065 -0.180 1.00 0.00 C ATOM 1399 C SER A 96 68.201 17.284 0.711 1.00 0.00 C ATOM 1400 O SER A 96 67.789 18.394 0.371 1.00 0.00 O ATOM 1401 CB SER A 96 66.487 15.771 -0.355 1.00 0.00 C ATOM 1402 OG SER A 96 66.158 15.813 -1.736 1.00 0.00 O ATOM 0 H SER A 96 68.051 14.331 0.997 1.00 0.00 H new ATOM 0 HA SER A 96 68.407 16.282 -1.160 1.00 0.00 H new ATOM 0 HB2 SER A 96 66.247 14.791 0.058 1.00 0.00 H new ATOM 0 HB3 SER A 96 65.894 16.502 0.194 1.00 0.00 H new ATOM 0 HG SER A 96 65.203 15.624 -1.851 1.00 0.00 H new ATOM 1408 N SER A 97 68.693 17.042 1.923 1.00 0.00 N ATOM 1409 CA SER A 97 68.886 18.115 2.893 1.00 0.00 C ATOM 1410 C SER A 97 70.280 18.720 2.756 1.00 0.00 C ATOM 1411 O SER A 97 70.667 19.589 3.537 1.00 0.00 O ATOM 1412 CB SER A 97 68.696 17.577 4.312 1.00 0.00 C ATOM 1413 OG SER A 97 67.329 17.247 4.510 1.00 0.00 O ATOM 0 H SER A 97 68.964 16.117 2.256 1.00 0.00 H new ATOM 0 HA SER A 97 68.147 18.892 2.698 1.00 0.00 H new ATOM 0 HB2 SER A 97 69.320 16.697 4.466 1.00 0.00 H new ATOM 0 HB3 SER A 97 69.011 18.323 5.041 1.00 0.00 H new ATOM 0 HG SER A 97 67.204 16.900 5.418 1.00 0.00 H new ATOM 1419 N ASN A 98 71.055 18.198 1.812 1.00 0.00 N ATOM 1420 CA ASN A 98 72.413 18.684 1.594 1.00 0.00 C ATOM 1421 C ASN A 98 73.212 18.656 2.895 1.00 0.00 C ATOM 1422 O ASN A 98 72.782 18.063 3.884 1.00 0.00 O ATOM 1423 CB ASN A 98 72.372 20.112 1.044 1.00 0.00 C ATOM 1424 CG ASN A 98 71.277 20.237 -0.011 1.00 0.00 C ATOM 1425 OD1 ASN A 98 71.272 19.494 -0.992 1.00 0.00 O ATOM 1426 ND2 ASN A 98 70.383 21.181 0.101 1.00 0.00 N ATOM 0 H ASN A 98 70.769 17.443 1.189 1.00 0.00 H new ATOM 0 HA ASN A 98 72.902 18.030 0.872 1.00 0.00 H new ATOM 0 HB2 ASN A 98 72.189 20.817 1.855 1.00 0.00 H new ATOM 0 HB3 ASN A 98 73.338 20.370 0.609 1.00 0.00 H new ATOM 0 HD21 ASN A 98 69.678 21.304 -0.626 1.00 0.00 H new ATOM 0 HD22 ASN A 98 70.389 21.795 0.915 1.00 0.00 H new ATOM 1433 N HIS A 99 74.350 19.344 2.899 1.00 0.00 N ATOM 1434 CA HIS A 99 75.191 19.437 4.089 1.00 0.00 C ATOM 1435 C HIS A 99 75.822 18.087 4.421 1.00 0.00 C ATOM 1436 O HIS A 99 75.828 17.661 5.577 1.00 0.00 O ATOM 1437 CB HIS A 99 74.364 19.985 5.261 1.00 0.00 C ATOM 1438 CG HIS A 99 75.065 21.144 5.919 1.00 0.00 C ATOM 1439 ND1 HIS A 99 75.340 21.178 7.277 1.00 0.00 N ATOM 1440 CD2 HIS A 99 75.610 22.291 5.394 1.00 0.00 C ATOM 1441 CE1 HIS A 99 76.020 22.310 7.522 1.00 0.00 C ATOM 1442 NE2 HIS A 99 76.213 23.025 6.412 1.00 0.00 N ATOM 0 H HIS A 99 74.712 19.847 2.089 1.00 0.00 H new ATOM 0 HA HIS A 99 76.011 20.128 3.895 1.00 0.00 H new ATOM 0 HB2 HIS A 99 73.385 20.303 4.903 1.00 0.00 H new ATOM 0 HB3 HIS A 99 74.195 19.195 5.992 1.00 0.00 H new ATOM 0 HD2 HIS A 99 75.576 22.578 4.354 1.00 0.00 H new ATOM 0 HE1 HIS A 99 76.369 22.606 8.500 1.00 0.00 H new ATOM 0 HE2 HIS A 99 76.698 23.918 6.327 1.00 0.00 H new ATOM 1450 N VAL A 100 76.052 17.296 3.378 1.00 0.00 N ATOM 1451 CA VAL A 100 76.623 15.957 3.514 1.00 0.00 C ATOM 1452 C VAL A 100 78.009 15.893 2.875 1.00 0.00 C ATOM 1453 O VAL A 100 78.602 16.925 2.563 1.00 0.00 O ATOM 1454 CB VAL A 100 75.675 14.922 2.892 1.00 0.00 C ATOM 1455 CG1 VAL A 100 75.638 13.647 3.742 1.00 0.00 C ATOM 1456 CG2 VAL A 100 74.257 15.501 2.799 1.00 0.00 C ATOM 0 H VAL A 100 75.849 17.563 2.415 1.00 0.00 H new ATOM 0 HA VAL A 100 76.739 15.726 4.573 1.00 0.00 H new ATOM 0 HB VAL A 100 76.042 14.678 1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 100 74.961 12.925 3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 100 76.639 13.219 3.800 1.00 0.00 H new ATOM 0 HG13 VAL A 100 75.288 13.889 4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 100 73.590 14.761 2.357 1.00 0.00 H new ATOM 0 HG22 VAL A 100 73.903 15.758 3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 100 74.269 16.396 2.177 1.00 0.00 H new ATOM 1466 N VAL A 101 78.565 14.688 2.776 1.00 0.00 N ATOM 1467 CA VAL A 101 79.902 14.505 2.219 1.00 0.00 C ATOM 1468 C VAL A 101 80.028 13.162 1.507 1.00 0.00 C ATOM 1469 O VAL A 101 79.069 12.393 1.428 1.00 0.00 O ATOM 1470 CB VAL A 101 80.943 14.576 3.339 1.00 0.00 C ATOM 1471 CG1 VAL A 101 80.924 15.979 3.950 1.00 0.00 C ATOM 1472 CG2 VAL A 101 80.636 13.523 4.409 1.00 0.00 C ATOM 0 H VAL A 101 78.111 13.825 3.074 1.00 0.00 H new ATOM 0 HA VAL A 101 80.074 15.300 1.494 1.00 0.00 H new ATOM 0 HB VAL A 101 81.934 14.373 2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 101 81.663 16.038 4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 101 81.162 16.714 3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 101 79.934 16.186 4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 101 81.382 13.581 5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 101 79.647 13.707 4.828 1.00 0.00 H new ATOM 0 HG23 VAL A 101 80.661 12.530 3.960 1.00 0.00 H new ATOM 1482 N PHE A 102 81.222 12.888 0.988 1.00 0.00 N ATOM 1483 CA PHE A 102 81.487 11.621 0.315 1.00 0.00 C ATOM 1484 C PHE A 102 82.956 11.232 0.439 1.00 0.00 C ATOM 1485 O PHE A 102 83.803 12.077 0.728 1.00 0.00 O ATOM 1486 CB PHE A 102 81.117 11.730 -1.166 1.00 0.00 C ATOM 1487 CG PHE A 102 82.074 12.661 -1.871 1.00 0.00 C ATOM 1488 CD1 PHE A 102 83.255 12.145 -2.416 1.00 0.00 C ATOM 1489 CD2 PHE A 102 81.799 14.031 -1.966 1.00 0.00 C ATOM 1490 CE1 PHE A 102 84.162 12.996 -3.058 1.00 0.00 C ATOM 1491 CE2 PHE A 102 82.707 14.881 -2.608 1.00 0.00 C ATOM 1492 CZ PHE A 102 83.884 14.364 -3.163 1.00 0.00 C ATOM 0 H PHE A 102 82.018 13.524 1.021 1.00 0.00 H new ATOM 0 HA PHE A 102 80.880 10.852 0.793 1.00 0.00 H new ATOM 0 HB2 PHE A 102 81.147 10.744 -1.630 1.00 0.00 H new ATOM 0 HB3 PHE A 102 80.096 12.099 -1.268 1.00 0.00 H new ATOM 0 HD1 PHE A 102 83.467 11.089 -2.341 1.00 0.00 H new ATOM 0 HD2 PHE A 102 80.888 14.431 -1.545 1.00 0.00 H new ATOM 0 HE1 PHE A 102 85.076 12.597 -3.472 1.00 0.00 H new ATOM 0 HE2 PHE A 102 82.499 15.939 -2.675 1.00 0.00 H new ATOM 0 HZ PHE A 102 84.576 15.019 -3.671 1.00 0.00 H new ATOM 1502 N GLY A 103 83.269 9.965 0.177 1.00 0.00 N ATOM 1503 CA GLY A 103 84.655 9.509 0.200 1.00 0.00 C ATOM 1504 C GLY A 103 84.756 8.116 0.812 1.00 0.00 C ATOM 1505 O GLY A 103 84.084 7.185 0.369 1.00 0.00 O ATOM 0 H GLY A 103 82.587 9.242 -0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 103 85.055 9.496 -0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 103 85.263 10.208 0.774 1.00 0.00 H new ATOM 1509 N GLY A 104 85.564 7.993 1.860 1.00 0.00 N ATOM 1510 CA GLY A 104 85.743 6.710 2.527 1.00 0.00 C ATOM 1511 C GLY A 104 86.747 5.841 1.777 1.00 0.00 C ATOM 1512 O GLY A 104 86.544 4.638 1.617 1.00 0.00 O ATOM 0 H GLY A 104 86.101 8.761 2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 104 86.088 6.872 3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 104 84.786 6.193 2.592 1.00 0.00 H new ATOM 1516 N GLY A 105 87.834 6.461 1.328 1.00 0.00 N ATOM 1517 CA GLY A 105 88.874 5.738 0.605 1.00 0.00 C ATOM 1518 C GLY A 105 89.399 4.568 1.430 1.00 0.00 C ATOM 1519 O GLY A 105 89.967 4.756 2.505 1.00 0.00 O ATOM 0 H GLY A 105 88.017 7.457 1.451 1.00 0.00 H new ATOM 0 HA2 GLY A 105 88.476 5.371 -0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 105 89.694 6.415 0.365 1.00 0.00 H new ATOM 1523 N THR A 106 89.233 3.359 0.901 1.00 0.00 N ATOM 1524 CA THR A 106 89.725 2.155 1.565 1.00 0.00 C ATOM 1525 C THR A 106 90.406 1.233 0.561 1.00 0.00 C ATOM 1526 O THR A 106 89.792 0.795 -0.412 1.00 0.00 O ATOM 1527 CB THR A 106 88.557 1.418 2.224 1.00 0.00 C ATOM 1528 OG1 THR A 106 87.963 2.252 3.209 1.00 0.00 O ATOM 1529 CG2 THR A 106 89.062 0.128 2.874 1.00 0.00 C ATOM 0 H THR A 106 88.761 3.187 0.013 1.00 0.00 H new ATOM 0 HA THR A 106 90.451 2.446 2.324 1.00 0.00 H new ATOM 0 HB THR A 106 87.813 1.169 1.467 1.00 0.00 H new ATOM 0 HG1 THR A 106 88.556 2.313 3.987 1.00 0.00 H new ATOM 0 HG21 THR A 106 88.228 -0.394 3.342 1.00 0.00 H new ATOM 0 HG22 THR A 106 89.510 -0.512 2.113 1.00 0.00 H new ATOM 0 HG23 THR A 106 89.809 0.370 3.630 1.00 0.00 H new ATOM 1537 N LYS A 107 91.692 0.978 0.783 1.00 0.00 N ATOM 1538 CA LYS A 107 92.463 0.114 -0.104 1.00 0.00 C ATOM 1539 C LYS A 107 92.347 -1.342 0.331 1.00 0.00 C ATOM 1540 O LYS A 107 92.830 -1.722 1.398 1.00 0.00 O ATOM 1541 CB LYS A 107 93.933 0.537 -0.074 1.00 0.00 C ATOM 1542 CG LYS A 107 94.057 1.961 -0.618 1.00 0.00 C ATOM 1543 CD LYS A 107 95.522 2.401 -0.566 1.00 0.00 C ATOM 1544 CE LYS A 107 95.713 3.637 -1.447 1.00 0.00 C ATOM 1545 NZ LYS A 107 95.697 3.220 -2.878 1.00 0.00 N ATOM 0 H LYS A 107 92.221 1.357 1.568 1.00 0.00 H new ATOM 0 HA LYS A 107 92.068 0.210 -1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 107 94.317 0.489 0.945 1.00 0.00 H new ATOM 0 HB3 LYS A 107 94.533 -0.148 -0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 107 93.690 2.003 -1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 107 93.441 2.641 -0.030 1.00 0.00 H new ATOM 0 HD2 LYS A 107 95.810 2.625 0.461 1.00 0.00 H new ATOM 0 HD3 LYS A 107 96.168 1.593 -0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 107 94.921 4.361 -1.257 1.00 0.00 H new ATOM 0 HE3 LYS A 107 96.657 4.127 -1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 96.166 3.946 -3.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 96.201 2.316 -2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 94.713 3.106 -3.195 1.00 0.00 H new ATOM 1559 N LEU A 108 91.751 -2.166 -0.527 1.00 0.00 N ATOM 1560 CA LEU A 108 91.612 -3.592 -0.255 1.00 0.00 C ATOM 1561 C LEU A 108 92.541 -4.391 -1.162 1.00 0.00 C ATOM 1562 O LEU A 108 92.442 -4.315 -2.387 1.00 0.00 O ATOM 1563 CB LEU A 108 90.162 -4.019 -0.500 1.00 0.00 C ATOM 1564 CG LEU A 108 89.952 -5.488 -0.118 1.00 0.00 C ATOM 1565 CD1 LEU A 108 90.127 -5.680 1.390 1.00 0.00 C ATOM 1566 CD2 LEU A 108 88.535 -5.907 -0.517 1.00 0.00 C ATOM 0 H LEU A 108 91.356 -1.868 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 108 91.879 -3.785 0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 108 89.490 -3.388 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 108 89.908 -3.872 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 108 90.689 -6.100 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 108 89.974 -6.729 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.134 -5.379 1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.398 -5.069 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 108 88.375 -6.951 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 108 87.810 -5.283 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.409 -5.785 -1.593 1.00 0.00 H new ATOM 1578 N THR A 109 93.396 -5.213 -0.558 1.00 0.00 N ATOM 1579 CA THR A 109 94.322 -6.052 -1.313 1.00 0.00 C ATOM 1580 C THR A 109 94.023 -7.525 -1.052 1.00 0.00 C ATOM 1581 O THR A 109 94.318 -8.048 0.022 1.00 0.00 O ATOM 1582 CB THR A 109 95.764 -5.738 -0.911 1.00 0.00 C ATOM 1583 OG1 THR A 109 96.079 -4.410 -1.302 1.00 0.00 O ATOM 1584 CG2 THR A 109 96.727 -6.714 -1.592 1.00 0.00 C ATOM 0 H THR A 109 93.466 -5.316 0.454 1.00 0.00 H new ATOM 0 HA THR A 109 94.196 -5.845 -2.376 1.00 0.00 H new ATOM 0 HB THR A 109 95.865 -5.840 0.170 1.00 0.00 H new ATOM 0 HG1 THR A 109 97.002 -4.203 -1.045 1.00 0.00 H new ATOM 0 HG21 THR A 109 97.750 -6.480 -1.298 1.00 0.00 H new ATOM 0 HG22 THR A 109 96.486 -7.733 -1.290 1.00 0.00 H new ATOM 0 HG23 THR A 109 96.631 -6.624 -2.674 1.00 0.00 H new ATOM 1592 N VAL A 110 93.571 -8.224 -2.089 1.00 0.00 N ATOM 1593 CA VAL A 110 93.264 -9.644 -1.963 1.00 0.00 C ATOM 1594 C VAL A 110 94.546 -10.470 -2.005 1.00 0.00 C ATOM 1595 O VAL A 110 94.589 -11.548 -2.597 1.00 0.00 O ATOM 1596 CB VAL A 110 92.317 -10.069 -3.091 1.00 0.00 C ATOM 1597 CG1 VAL A 110 92.039 -11.579 -3.017 1.00 0.00 C ATOM 1598 CG2 VAL A 110 91.013 -9.260 -2.998 1.00 0.00 C ATOM 0 H VAL A 110 93.410 -7.834 -3.018 1.00 0.00 H new ATOM 0 HA VAL A 110 92.776 -9.819 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 110 92.786 -9.865 -4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 110 91.365 -11.865 -3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 110 92.976 -12.127 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 110 91.578 -11.818 -2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 110 90.339 -9.562 -3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 110 90.537 -9.446 -2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.237 -8.197 -3.093 1.00 0.00 H new ATOM 1608 N LEU A 111 95.593 -9.954 -1.369 1.00 0.00 N ATOM 1609 CA LEU A 111 96.871 -10.656 -1.307 1.00 0.00 C ATOM 1610 C LEU A 111 97.180 -11.355 -2.628 1.00 0.00 C ATOM 1611 O LEU A 111 97.511 -10.662 -3.576 1.00 0.00 O ATOM 1612 CB LEU A 111 96.838 -11.670 -0.157 1.00 0.00 C ATOM 1613 CG LEU A 111 97.266 -11.007 1.159 1.00 0.00 C ATOM 1614 CD1 LEU A 111 96.641 -11.747 2.345 1.00 0.00 C ATOM 1615 CD2 LEU A 111 98.791 -11.040 1.299 1.00 0.00 C ATOM 1616 OXT LEU A 111 97.002 -12.560 -2.692 1.00 0.00 O ATOM 0 H LEU A 111 95.582 -9.054 -0.890 1.00 0.00 H new ATOM 0 HA LEU A 111 97.663 -9.929 -1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 111 95.833 -12.079 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 111 97.501 -12.505 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 111 96.925 -9.972 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 111 96.950 -11.270 3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 111 95.555 -11.713 2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 111 96.973 -12.785 2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 111 99.081 -10.566 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 111 99.135 -12.074 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 111 99.245 -10.503 0.466 1.00 0.00 H new TER 1628 LEU A 111