USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.663 (180deg=-0.821) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 165:sc= 0 (180deg=-0.0658) USER MOD Single : A 13 ASN : amide:sc= 0.813 K(o=0.81,f=0) USER MOD Single : A 14 THR OG1 : rot -174:sc= 1.16 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc=-0.00249 X(o=-0.0025,f=-0.00088) USER MOD Single : B 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 103 SER OG : rot 180:sc= 0 USER MOD Single : B 111 MET CE :methyl 172:sc= 0 (180deg=-0.0245) USER MOD Single : B 113 ASN : amide:sc= 0.878 K(o=0.88,f=0) USER MOD Single : B 114 THR OG1 : rot -171:sc= 1.11 USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 128 HIS : no HD1:sc= -0.0706 X(o=-0.071,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.058 1.651 0.544 1.00 0.00 N ATOM 2 CA MET A 1 12.520 0.360 1.040 1.00 0.00 C ATOM 3 C MET A 1 11.347 -0.492 1.513 1.00 0.00 C ATOM 4 O MET A 1 11.441 -1.190 2.523 1.00 0.00 O ATOM 5 CB MET A 1 13.517 0.555 2.184 1.00 0.00 C ATOM 6 CG MET A 1 14.603 1.573 1.876 1.00 0.00 C ATOM 7 SD MET A 1 15.674 1.896 3.290 1.00 0.00 S ATOM 8 CE MET A 1 16.685 3.230 2.652 1.00 0.00 C ATOM 0 H1 MET A 1 12.862 2.180 0.150 1.00 0.00 H new ATOM 0 H2 MET A 1 11.344 1.503 -0.198 1.00 0.00 H new ATOM 0 H3 MET A 1 11.637 2.193 1.326 1.00 0.00 H new ATOM 0 HA MET A 1 13.016 -0.159 0.220 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.977 0.871 3.076 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.983 -0.403 2.416 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.207 1.213 1.043 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.140 2.506 1.555 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.400 3.541 3.414 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.223 2.888 1.768 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.048 4.074 2.386 1.00 0.00 H new ATOM 18 N ASP A 2 10.242 -0.431 0.777 1.00 0.00 N ATOM 19 CA ASP A 2 9.051 -1.198 1.121 1.00 0.00 C ATOM 20 C ASP A 2 8.814 -2.317 0.111 1.00 0.00 C ATOM 21 O ASP A 2 7.817 -3.035 0.188 1.00 0.00 O ATOM 22 CB ASP A 2 7.828 -0.281 1.181 1.00 0.00 C ATOM 23 CG ASP A 2 7.736 0.477 2.490 1.00 0.00 C ATOM 24 OD1 ASP A 2 8.506 0.152 3.419 1.00 0.00 O ATOM 25 OD2 ASP A 2 6.896 1.396 2.586 1.00 0.00 O ATOM 0 H ASP A 2 10.147 0.142 -0.062 1.00 0.00 H new ATOM 0 HA ASP A 2 9.208 -1.646 2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.870 0.429 0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.925 -0.876 1.045 1.00 0.00 H new ATOM 30 N SER A 3 9.737 -2.458 -0.835 1.00 0.00 N ATOM 31 CA SER A 3 9.627 -3.486 -1.863 1.00 0.00 C ATOM 32 C SER A 3 10.906 -4.313 -1.945 1.00 0.00 C ATOM 33 O SER A 3 11.332 -4.713 -3.028 1.00 0.00 O ATOM 34 CB SER A 3 9.330 -2.848 -3.222 1.00 0.00 C ATOM 35 OG SER A 3 8.187 -2.014 -3.155 1.00 0.00 O ATOM 0 H SER A 3 10.569 -1.873 -0.911 1.00 0.00 H new ATOM 0 HA SER A 3 8.805 -4.148 -1.593 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.191 -2.265 -3.549 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.172 -3.628 -3.967 1.00 0.00 H new ATOM 0 HG SER A 3 8.020 -1.617 -4.035 1.00 0.00 H new ATOM 41 N ALA A 4 11.515 -4.564 -0.790 1.00 0.00 N ATOM 42 CA ALA A 4 12.745 -5.345 -0.730 1.00 0.00 C ATOM 43 C ALA A 4 12.483 -6.809 -1.064 1.00 0.00 C ATOM 44 O ALA A 4 13.033 -7.361 -2.017 1.00 0.00 O ATOM 45 CB ALA A 4 13.380 -5.221 0.647 1.00 0.00 C ATOM 0 H ALA A 4 11.177 -4.238 0.116 1.00 0.00 H new ATOM 0 HA ALA A 4 13.435 -4.949 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 4 14.297 -5.809 0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 4 13.612 -4.175 0.848 1.00 0.00 H new ATOM 0 HB3 ALA A 4 12.686 -5.590 1.402 1.00 0.00 H new ATOM 51 N PRO A 5 11.623 -7.455 -0.263 1.00 0.00 N ATOM 52 CA PRO A 5 11.269 -8.865 -0.454 1.00 0.00 C ATOM 53 C PRO A 5 10.423 -9.085 -1.703 1.00 0.00 C ATOM 54 O PRO A 5 10.430 -10.170 -2.287 1.00 0.00 O ATOM 55 CB PRO A 5 10.464 -9.203 0.803 1.00 0.00 C ATOM 56 CG PRO A 5 9.906 -7.898 1.257 1.00 0.00 C ATOM 57 CD PRO A 5 10.930 -6.859 0.892 1.00 0.00 C ATOM 0 HA PRO A 5 12.150 -9.491 -0.593 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.671 -9.918 0.585 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.096 -9.652 1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 5 8.952 -7.692 0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.723 -7.905 2.332 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.464 -5.908 0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.616 -6.664 1.716 1.00 0.00 H new ATOM 65 N PHE A 6 9.694 -8.050 -2.109 1.00 0.00 N ATOM 66 CA PHE A 6 8.842 -8.132 -3.290 1.00 0.00 C ATOM 67 C PHE A 6 9.678 -8.114 -4.566 1.00 0.00 C ATOM 68 O PHE A 6 9.385 -8.833 -5.521 1.00 0.00 O ATOM 69 CB PHE A 6 7.843 -6.973 -3.304 1.00 0.00 C ATOM 70 CG PHE A 6 6.411 -7.417 -3.400 1.00 0.00 C ATOM 71 CD1 PHE A 6 5.840 -7.695 -4.631 1.00 0.00 C ATOM 72 CD2 PHE A 6 5.638 -7.556 -2.259 1.00 0.00 C ATOM 73 CE1 PHE A 6 4.522 -8.103 -4.722 1.00 0.00 C ATOM 74 CE2 PHE A 6 4.319 -7.964 -2.344 1.00 0.00 C ATOM 75 CZ PHE A 6 3.761 -8.238 -3.577 1.00 0.00 C ATOM 0 H PHE A 6 9.676 -7.145 -1.638 1.00 0.00 H new ATOM 0 HA PHE A 6 8.295 -9.074 -3.249 1.00 0.00 H new ATOM 0 HB2 PHE A 6 7.972 -6.382 -2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.069 -6.319 -4.146 1.00 0.00 H new ATOM 0 HD1 PHE A 6 6.431 -7.592 -5.529 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.070 -7.343 -1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.088 -8.316 -5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.726 -8.068 -1.447 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.732 -8.557 -3.646 1.00 0.00 H new ATOM 85 N GLU A 7 10.718 -7.286 -4.574 1.00 0.00 N ATOM 86 CA GLU A 7 11.595 -7.174 -5.734 1.00 0.00 C ATOM 87 C GLU A 7 12.156 -8.538 -6.126 1.00 0.00 C ATOM 88 O GLU A 7 12.185 -8.894 -7.305 1.00 0.00 O ATOM 89 CB GLU A 7 12.742 -6.204 -5.441 1.00 0.00 C ATOM 90 CG GLU A 7 12.725 -4.961 -6.315 1.00 0.00 C ATOM 91 CD GLU A 7 13.855 -4.004 -5.990 1.00 0.00 C ATOM 92 OE1 GLU A 7 15.005 -4.287 -6.388 1.00 0.00 O ATOM 93 OE2 GLU A 7 13.591 -2.973 -5.337 1.00 0.00 O ATOM 0 H GLU A 7 10.974 -6.684 -3.792 1.00 0.00 H new ATOM 0 HA GLU A 7 11.006 -6.790 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.694 -5.903 -4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.690 -6.723 -5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 7 12.794 -5.257 -7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.772 -4.447 -6.191 1.00 0.00 H new ATOM 100 N LEU A 8 12.600 -9.297 -5.131 1.00 0.00 N ATOM 101 CA LEU A 8 13.161 -10.622 -5.371 1.00 0.00 C ATOM 102 C LEU A 8 12.206 -11.476 -6.198 1.00 0.00 C ATOM 103 O LEU A 8 12.634 -12.275 -7.031 1.00 0.00 O ATOM 104 CB LEU A 8 13.464 -11.317 -4.042 1.00 0.00 C ATOM 105 CG LEU A 8 14.864 -11.093 -3.471 1.00 0.00 C ATOM 106 CD1 LEU A 8 15.923 -11.591 -4.442 1.00 0.00 C ATOM 107 CD2 LEU A 8 15.081 -9.620 -3.153 1.00 0.00 C ATOM 0 H LEU A 8 12.583 -9.018 -4.150 1.00 0.00 H new ATOM 0 HA LEU A 8 14.088 -10.501 -5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.735 -10.981 -3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.314 -12.389 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 8 14.953 -11.662 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.913 -11.423 -4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.781 -12.657 -4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.835 -11.051 -5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.083 -9.479 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.972 -9.031 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.344 -9.294 -2.420 1.00 0.00 H new ATOM 119 N PHE A 9 10.909 -11.300 -5.965 1.00 0.00 N ATOM 120 CA PHE A 9 9.893 -12.053 -6.690 1.00 0.00 C ATOM 121 C PHE A 9 10.126 -11.972 -8.196 1.00 0.00 C ATOM 122 O PHE A 9 9.887 -12.934 -8.925 1.00 0.00 O ATOM 123 CB PHE A 9 8.497 -11.526 -6.349 1.00 0.00 C ATOM 124 CG PHE A 9 7.412 -12.551 -6.514 1.00 0.00 C ATOM 125 CD1 PHE A 9 7.461 -13.748 -5.817 1.00 0.00 C ATOM 126 CD2 PHE A 9 6.343 -12.318 -7.364 1.00 0.00 C ATOM 127 CE1 PHE A 9 6.464 -14.694 -5.967 1.00 0.00 C ATOM 128 CE2 PHE A 9 5.343 -13.260 -7.518 1.00 0.00 C ATOM 129 CZ PHE A 9 5.404 -14.449 -6.817 1.00 0.00 C ATOM 0 H PHE A 9 10.537 -10.642 -5.280 1.00 0.00 H new ATOM 0 HA PHE A 9 9.964 -13.097 -6.385 1.00 0.00 H new ATOM 0 HB2 PHE A 9 8.494 -11.168 -5.319 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.276 -10.669 -6.985 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.287 -13.944 -5.149 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.290 -11.389 -7.913 1.00 0.00 H new ATOM 0 HE1 PHE A 9 6.514 -15.624 -5.420 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.516 -13.067 -8.185 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.623 -15.186 -6.934 1.00 0.00 H new ATOM 139 N PHE A 10 10.594 -10.816 -8.654 1.00 0.00 N ATOM 140 CA PHE A 10 10.858 -10.607 -10.073 1.00 0.00 C ATOM 141 C PHE A 10 12.241 -11.130 -10.451 1.00 0.00 C ATOM 142 O PHE A 10 12.479 -11.514 -11.596 1.00 0.00 O ATOM 143 CB PHE A 10 10.751 -9.120 -10.420 1.00 0.00 C ATOM 144 CG PHE A 10 11.245 -8.789 -11.799 1.00 0.00 C ATOM 145 CD1 PHE A 10 12.580 -8.488 -12.016 1.00 0.00 C ATOM 146 CD2 PHE A 10 10.376 -8.781 -12.878 1.00 0.00 C ATOM 147 CE1 PHE A 10 13.038 -8.182 -13.284 1.00 0.00 C ATOM 148 CE2 PHE A 10 10.828 -8.476 -14.148 1.00 0.00 C ATOM 149 CZ PHE A 10 12.161 -8.177 -14.351 1.00 0.00 C ATOM 0 H PHE A 10 10.798 -10.010 -8.064 1.00 0.00 H new ATOM 0 HA PHE A 10 10.111 -11.161 -10.642 1.00 0.00 H new ATOM 0 HB2 PHE A 10 9.710 -8.808 -10.331 1.00 0.00 H new ATOM 0 HB3 PHE A 10 11.320 -8.543 -9.691 1.00 0.00 H new ATOM 0 HD1 PHE A 10 13.270 -8.492 -11.185 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.333 -9.016 -12.725 1.00 0.00 H new ATOM 0 HE1 PHE A 10 14.081 -7.947 -13.440 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.140 -8.471 -14.980 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.517 -7.940 -15.343 1.00 0.00 H new ATOM 159 N MET A 11 13.149 -11.140 -9.481 1.00 0.00 N ATOM 160 CA MET A 11 14.508 -11.616 -9.711 1.00 0.00 C ATOM 161 C MET A 11 14.528 -13.129 -9.906 1.00 0.00 C ATOM 162 O MET A 11 15.392 -13.663 -10.604 1.00 0.00 O ATOM 163 CB MET A 11 15.412 -11.229 -8.540 1.00 0.00 C ATOM 164 CG MET A 11 16.086 -9.878 -8.713 1.00 0.00 C ATOM 165 SD MET A 11 14.908 -8.513 -8.744 1.00 0.00 S ATOM 166 CE MET A 11 15.798 -7.276 -7.803 1.00 0.00 C ATOM 0 H MET A 11 12.968 -10.824 -8.528 1.00 0.00 H new ATOM 0 HA MET A 11 14.882 -11.145 -10.620 1.00 0.00 H new ATOM 0 HB2 MET A 11 14.821 -11.216 -7.624 1.00 0.00 H new ATOM 0 HB3 MET A 11 16.178 -11.994 -8.415 1.00 0.00 H new ATOM 0 HG2 MET A 11 16.795 -9.723 -7.899 1.00 0.00 H new ATOM 0 HG3 MET A 11 16.660 -9.879 -9.640 1.00 0.00 H new ATOM 0 HE1 MET A 11 15.334 -6.301 -7.954 1.00 0.00 H new ATOM 0 HE2 MET A 11 15.767 -7.533 -6.744 1.00 0.00 H new ATOM 0 HE3 MET A 11 16.835 -7.240 -8.138 1.00 0.00 H new ATOM 176 N ILE A 12 13.573 -13.814 -9.287 1.00 0.00 N ATOM 177 CA ILE A 12 13.482 -15.265 -9.393 1.00 0.00 C ATOM 178 C ILE A 12 12.713 -15.677 -10.645 1.00 0.00 C ATOM 179 O ILE A 12 13.229 -16.406 -11.490 1.00 0.00 O ATOM 180 CB ILE A 12 12.796 -15.878 -8.158 1.00 0.00 C ATOM 181 CG1 ILE A 12 13.679 -15.707 -6.920 1.00 0.00 C ATOM 182 CG2 ILE A 12 12.491 -17.349 -8.398 1.00 0.00 C ATOM 183 CD1 ILE A 12 13.036 -14.878 -5.830 1.00 0.00 C ATOM 0 H ILE A 12 12.851 -13.387 -8.706 1.00 0.00 H new ATOM 0 HA ILE A 12 14.503 -15.642 -9.455 1.00 0.00 H new ATOM 0 HB ILE A 12 11.855 -15.355 -7.986 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.925 -16.691 -6.520 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.618 -15.239 -7.215 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.006 -17.769 -7.516 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.828 -17.448 -9.258 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.419 -17.886 -8.592 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.718 -14.798 -4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.815 -13.882 -6.213 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.111 -15.356 -5.507 1.00 0.00 H new ATOM 195 N ASN A 13 11.477 -15.202 -10.756 1.00 0.00 N ATOM 196 CA ASN A 13 10.637 -15.520 -11.905 1.00 0.00 C ATOM 197 C ASN A 13 11.362 -15.211 -13.211 1.00 0.00 C ATOM 198 O ASN A 13 11.501 -16.076 -14.077 1.00 0.00 O ATOM 199 CB ASN A 13 9.326 -14.733 -11.838 1.00 0.00 C ATOM 200 CG ASN A 13 8.270 -15.439 -11.009 1.00 0.00 C ATOM 201 OD1 ASN A 13 7.717 -16.457 -11.424 1.00 0.00 O ATOM 202 ND2 ASN A 13 7.985 -14.898 -9.829 1.00 0.00 N ATOM 0 H ASN A 13 11.035 -14.596 -10.065 1.00 0.00 H new ATOM 0 HA ASN A 13 10.415 -16.587 -11.877 1.00 0.00 H new ATOM 0 HB2 ASN A 13 9.518 -13.747 -11.414 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.947 -14.577 -12.848 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.283 -15.328 -9.227 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.469 -14.053 -9.525 1.00 0.00 H new ATOM 209 N THR A 14 11.823 -13.972 -13.347 1.00 0.00 N ATOM 210 CA THR A 14 12.534 -13.547 -14.546 1.00 0.00 C ATOM 211 C THR A 14 13.690 -14.489 -14.863 1.00 0.00 C ATOM 212 O THR A 14 14.043 -14.686 -16.025 1.00 0.00 O ATOM 213 CB THR A 14 13.079 -12.114 -14.399 1.00 0.00 C ATOM 214 OG1 THR A 14 12.006 -11.208 -14.121 1.00 0.00 O ATOM 215 CG2 THR A 14 13.803 -11.679 -15.664 1.00 0.00 C ATOM 0 H THR A 14 11.716 -13.244 -12.640 1.00 0.00 H new ATOM 0 HA THR A 14 11.815 -13.571 -15.365 1.00 0.00 H new ATOM 0 HB THR A 14 13.788 -12.101 -13.571 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.345 -10.289 -14.124 1.00 0.00 H new ATOM 0 HG21 THR A 14 14.179 -10.664 -15.537 1.00 0.00 H new ATOM 0 HG22 THR A 14 14.637 -12.354 -15.856 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.112 -11.707 -16.507 1.00 0.00 H new ATOM 223 N SER A 15 14.276 -15.070 -13.820 1.00 0.00 N ATOM 224 CA SER A 15 15.395 -15.990 -13.987 1.00 0.00 C ATOM 225 C SER A 15 14.933 -17.299 -14.620 1.00 0.00 C ATOM 226 O SER A 15 15.348 -17.648 -15.725 1.00 0.00 O ATOM 227 CB SER A 15 16.059 -16.269 -12.638 1.00 0.00 C ATOM 228 OG SER A 15 17.442 -16.536 -12.795 1.00 0.00 O ATOM 0 H SER A 15 13.994 -14.920 -12.851 1.00 0.00 H new ATOM 0 HA SER A 15 16.121 -15.522 -14.652 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.924 -15.412 -11.978 1.00 0.00 H new ATOM 0 HB3 SER A 15 15.573 -17.119 -12.159 1.00 0.00 H new ATOM 0 HG SER A 15 17.843 -16.710 -11.918 1.00 0.00 H new ATOM 234 N ILE A 16 14.071 -18.020 -13.910 1.00 0.00 N ATOM 235 CA ILE A 16 13.551 -19.290 -14.401 1.00 0.00 C ATOM 236 C ILE A 16 12.998 -19.147 -15.815 1.00 0.00 C ATOM 237 O ILE A 16 12.993 -20.104 -16.591 1.00 0.00 O ATOM 238 CB ILE A 16 12.443 -19.838 -13.482 1.00 0.00 C ATOM 239 CG1 ILE A 16 12.979 -20.035 -12.063 1.00 0.00 C ATOM 240 CG2 ILE A 16 11.896 -21.145 -14.034 1.00 0.00 C ATOM 241 CD1 ILE A 16 11.894 -20.103 -11.011 1.00 0.00 C ATOM 0 H ILE A 16 13.718 -17.746 -12.993 1.00 0.00 H new ATOM 0 HA ILE A 16 14.386 -19.991 -14.408 1.00 0.00 H new ATOM 0 HB ILE A 16 11.630 -19.113 -13.445 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.565 -20.954 -12.029 1.00 0.00 H new ATOM 0 HG13 ILE A 16 13.656 -19.216 -11.822 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.114 -21.520 -13.374 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.481 -20.975 -15.028 1.00 0.00 H new ATOM 0 HG23 ILE A 16 12.700 -21.878 -14.097 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.347 -20.244 -10.030 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.322 -19.175 -11.017 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.230 -20.940 -11.227 1.00 0.00 H new ATOM 253 N LEU A 17 12.536 -17.947 -16.146 1.00 0.00 N ATOM 254 CA LEU A 17 11.982 -17.677 -17.468 1.00 0.00 C ATOM 255 C LEU A 17 13.092 -17.381 -18.473 1.00 0.00 C ATOM 256 O LEU A 17 13.216 -18.058 -19.495 1.00 0.00 O ATOM 257 CB LEU A 17 11.008 -16.500 -17.405 1.00 0.00 C ATOM 258 CG LEU A 17 9.557 -16.808 -17.777 1.00 0.00 C ATOM 259 CD1 LEU A 17 8.663 -15.616 -17.474 1.00 0.00 C ATOM 260 CD2 LEU A 17 9.454 -17.194 -19.246 1.00 0.00 C ATOM 0 H LEU A 17 12.534 -17.144 -15.517 1.00 0.00 H new ATOM 0 HA LEU A 17 11.445 -18.566 -17.798 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.024 -16.095 -16.393 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.373 -15.716 -18.068 1.00 0.00 H new ATOM 0 HG LEU A 17 9.219 -17.651 -17.175 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.635 -15.854 -17.745 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.713 -15.385 -16.410 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.999 -14.753 -18.049 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.415 -17.410 -19.493 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.811 -16.370 -19.864 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.063 -18.079 -19.433 1.00 0.00 H new ATOM 272 N LEU A 18 13.897 -16.368 -18.174 1.00 0.00 N ATOM 273 CA LEU A 18 14.999 -15.983 -19.050 1.00 0.00 C ATOM 274 C LEU A 18 15.868 -17.188 -19.394 1.00 0.00 C ATOM 275 O LEU A 18 16.365 -17.308 -20.514 1.00 0.00 O ATOM 276 CB LEU A 18 15.849 -14.899 -18.386 1.00 0.00 C ATOM 277 CG LEU A 18 15.310 -13.471 -18.479 1.00 0.00 C ATOM 278 CD1 LEU A 18 16.373 -12.470 -18.053 1.00 0.00 C ATOM 279 CD2 LEU A 18 14.831 -13.173 -19.893 1.00 0.00 C ATOM 0 H LEU A 18 13.808 -15.798 -17.333 1.00 0.00 H new ATOM 0 HA LEU A 18 14.576 -15.589 -19.974 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.968 -15.153 -17.333 1.00 0.00 H new ATOM 0 HB3 LEU A 18 16.843 -14.920 -18.833 1.00 0.00 H new ATOM 0 HG LEU A 18 14.461 -13.379 -17.802 1.00 0.00 H new ATOM 0 HD11 LEU A 18 15.971 -11.459 -18.126 1.00 0.00 H new ATOM 0 HD12 LEU A 18 16.669 -12.670 -17.023 1.00 0.00 H new ATOM 0 HD13 LEU A 18 17.242 -12.563 -18.704 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.451 -12.153 -19.941 1.00 0.00 H new ATOM 0 HD22 LEU A 18 15.662 -13.284 -20.590 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.037 -13.869 -20.162 1.00 0.00 H new ATOM 291 N ILE A 19 16.045 -18.079 -18.424 1.00 0.00 N ATOM 292 CA ILE A 19 16.851 -19.277 -18.626 1.00 0.00 C ATOM 293 C ILE A 19 16.281 -20.141 -19.745 1.00 0.00 C ATOM 294 O ILE A 19 16.919 -20.338 -20.779 1.00 0.00 O ATOM 295 CB ILE A 19 16.942 -20.117 -17.338 1.00 0.00 C ATOM 296 CG1 ILE A 19 17.639 -19.322 -16.232 1.00 0.00 C ATOM 297 CG2 ILE A 19 17.680 -21.420 -17.607 1.00 0.00 C ATOM 298 CD1 ILE A 19 17.199 -19.711 -14.839 1.00 0.00 C ATOM 0 H ILE A 19 15.641 -17.994 -17.491 1.00 0.00 H new ATOM 0 HA ILE A 19 17.851 -18.942 -18.903 1.00 0.00 H new ATOM 0 HB ILE A 19 15.932 -20.356 -17.006 1.00 0.00 H new ATOM 0 HG12 ILE A 19 18.716 -19.465 -16.317 1.00 0.00 H new ATOM 0 HG13 ILE A 19 17.445 -18.260 -16.382 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.736 -22.003 -16.688 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.145 -21.991 -18.366 1.00 0.00 H new ATOM 0 HG23 ILE A 19 18.688 -21.201 -17.960 1.00 0.00 H new ATOM 0 HD11 ILE A 19 17.734 -19.107 -14.106 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.127 -19.542 -14.735 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.418 -20.765 -14.669 1.00 0.00 H new ATOM 310 N PHE A 20 15.073 -20.655 -19.532 1.00 0.00 N ATOM 311 CA PHE A 20 14.415 -21.498 -20.523 1.00 0.00 C ATOM 312 C PHE A 20 14.149 -20.720 -21.808 1.00 0.00 C ATOM 313 O PHE A 20 14.025 -21.304 -22.885 1.00 0.00 O ATOM 314 CB PHE A 20 13.101 -22.048 -19.964 1.00 0.00 C ATOM 315 CG PHE A 20 12.470 -23.095 -20.837 1.00 0.00 C ATOM 316 CD1 PHE A 20 13.142 -24.272 -21.125 1.00 0.00 C ATOM 317 CD2 PHE A 20 11.206 -22.901 -21.369 1.00 0.00 C ATOM 318 CE1 PHE A 20 12.563 -25.236 -21.928 1.00 0.00 C ATOM 319 CE2 PHE A 20 10.622 -23.863 -22.172 1.00 0.00 C ATOM 320 CZ PHE A 20 11.301 -25.032 -22.452 1.00 0.00 C ATOM 0 H PHE A 20 14.531 -20.502 -18.682 1.00 0.00 H new ATOM 0 HA PHE A 20 15.080 -22.330 -20.755 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.285 -22.472 -18.977 1.00 0.00 H new ATOM 0 HB3 PHE A 20 12.399 -21.225 -19.832 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.128 -24.438 -20.718 1.00 0.00 H new ATOM 0 HD2 PHE A 20 10.671 -21.988 -21.154 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.097 -26.149 -22.146 1.00 0.00 H new ATOM 0 HE2 PHE A 20 9.635 -23.700 -22.580 1.00 0.00 H new ATOM 0 HZ PHE A 20 10.847 -25.785 -23.079 1.00 0.00 H new ATOM 330 N ILE A 21 14.062 -19.400 -21.686 1.00 0.00 N ATOM 331 CA ILE A 21 13.810 -18.542 -22.837 1.00 0.00 C ATOM 332 C ILE A 21 15.035 -18.465 -23.743 1.00 0.00 C ATOM 333 O ILE A 21 14.947 -18.713 -24.946 1.00 0.00 O ATOM 334 CB ILE A 21 13.417 -17.118 -22.403 1.00 0.00 C ATOM 335 CG1 ILE A 21 11.902 -17.020 -22.212 1.00 0.00 C ATOM 336 CG2 ILE A 21 13.894 -16.101 -23.428 1.00 0.00 C ATOM 337 CD1 ILE A 21 11.456 -15.723 -21.574 1.00 0.00 C ATOM 0 H ILE A 21 14.162 -18.901 -20.802 1.00 0.00 H new ATOM 0 HA ILE A 21 12.981 -18.987 -23.387 1.00 0.00 H new ATOM 0 HB ILE A 21 13.900 -16.898 -21.451 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.414 -17.125 -23.181 1.00 0.00 H new ATOM 0 HG13 ILE A 21 11.567 -17.853 -21.594 1.00 0.00 H new ATOM 0 HG21 ILE A 21 13.608 -15.099 -23.107 1.00 0.00 H new ATOM 0 HG22 ILE A 21 14.979 -16.157 -23.519 1.00 0.00 H new ATOM 0 HG23 ILE A 21 13.437 -16.316 -24.394 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.371 -15.723 -21.470 1.00 0.00 H new ATOM 0 HD12 ILE A 21 11.915 -15.625 -20.590 1.00 0.00 H new ATOM 0 HD13 ILE A 21 11.760 -14.885 -22.202 1.00 0.00 H new ATOM 349 N PHE A 22 16.177 -18.122 -23.157 1.00 0.00 N ATOM 350 CA PHE A 22 17.420 -18.013 -23.911 1.00 0.00 C ATOM 351 C PHE A 22 17.901 -19.387 -24.369 1.00 0.00 C ATOM 352 O PHE A 22 18.165 -19.601 -25.552 1.00 0.00 O ATOM 353 CB PHE A 22 18.500 -17.340 -23.061 1.00 0.00 C ATOM 354 CG PHE A 22 18.148 -15.941 -22.642 1.00 0.00 C ATOM 355 CD1 PHE A 22 17.531 -15.073 -23.529 1.00 0.00 C ATOM 356 CD2 PHE A 22 18.433 -15.494 -21.362 1.00 0.00 C ATOM 357 CE1 PHE A 22 17.207 -13.786 -23.146 1.00 0.00 C ATOM 358 CE2 PHE A 22 18.111 -14.207 -20.974 1.00 0.00 C ATOM 359 CZ PHE A 22 17.496 -13.352 -21.867 1.00 0.00 C ATOM 0 H PHE A 22 16.267 -17.915 -22.162 1.00 0.00 H new ATOM 0 HA PHE A 22 17.228 -17.402 -24.793 1.00 0.00 H new ATOM 0 HB2 PHE A 22 18.679 -17.943 -22.171 1.00 0.00 H new ATOM 0 HB3 PHE A 22 19.433 -17.318 -23.624 1.00 0.00 H new ATOM 0 HD1 PHE A 22 17.301 -15.406 -24.530 1.00 0.00 H new ATOM 0 HD2 PHE A 22 18.912 -16.159 -20.659 1.00 0.00 H new ATOM 0 HE1 PHE A 22 16.727 -13.119 -23.847 1.00 0.00 H new ATOM 0 HE2 PHE A 22 18.340 -13.871 -19.974 1.00 0.00 H new ATOM 0 HZ PHE A 22 17.242 -12.346 -21.566 1.00 0.00 H new ATOM 369 N ILE A 23 18.012 -20.314 -23.423 1.00 0.00 N ATOM 370 CA ILE A 23 18.460 -21.667 -23.729 1.00 0.00 C ATOM 371 C ILE A 23 17.693 -22.245 -24.914 1.00 0.00 C ATOM 372 O ILE A 23 18.289 -22.756 -25.862 1.00 0.00 O ATOM 373 CB ILE A 23 18.291 -22.603 -22.517 1.00 0.00 C ATOM 374 CG1 ILE A 23 19.551 -22.580 -21.649 1.00 0.00 C ATOM 375 CG2 ILE A 23 17.986 -24.019 -22.980 1.00 0.00 C ATOM 376 CD1 ILE A 23 19.455 -21.640 -20.468 1.00 0.00 C ATOM 0 H ILE A 23 17.798 -20.153 -22.439 1.00 0.00 H new ATOM 0 HA ILE A 23 19.518 -21.600 -23.982 1.00 0.00 H new ATOM 0 HB ILE A 23 17.452 -22.250 -21.917 1.00 0.00 H new ATOM 0 HG12 ILE A 23 19.750 -23.588 -21.285 1.00 0.00 H new ATOM 0 HG13 ILE A 23 20.402 -22.290 -22.266 1.00 0.00 H new ATOM 0 HG21 ILE A 23 17.869 -24.668 -22.112 1.00 0.00 H new ATOM 0 HG22 ILE A 23 17.064 -24.021 -23.561 1.00 0.00 H new ATOM 0 HG23 ILE A 23 18.806 -24.384 -23.599 1.00 0.00 H new ATOM 0 HD11 ILE A 23 20.383 -21.676 -19.898 1.00 0.00 H new ATOM 0 HD12 ILE A 23 19.287 -20.624 -20.825 1.00 0.00 H new ATOM 0 HD13 ILE A 23 18.625 -21.942 -19.829 1.00 0.00 H new ATOM 388 N VAL A 24 16.368 -22.159 -24.853 1.00 0.00 N ATOM 389 CA VAL A 24 15.520 -22.671 -25.922 1.00 0.00 C ATOM 390 C VAL A 24 15.710 -21.871 -27.206 1.00 0.00 C ATOM 391 O VAL A 24 15.796 -22.436 -28.297 1.00 0.00 O ATOM 392 CB VAL A 24 14.032 -22.636 -25.524 1.00 0.00 C ATOM 393 CG1 VAL A 24 13.148 -22.861 -26.741 1.00 0.00 C ATOM 394 CG2 VAL A 24 13.745 -23.671 -24.447 1.00 0.00 C ATOM 0 H VAL A 24 15.859 -21.740 -24.075 1.00 0.00 H new ATOM 0 HA VAL A 24 15.818 -23.705 -26.094 1.00 0.00 H new ATOM 0 HB VAL A 24 13.805 -21.650 -25.118 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.101 -22.833 -26.440 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.335 -22.079 -27.476 1.00 0.00 H new ATOM 0 HG13 VAL A 24 13.373 -23.833 -27.180 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.690 -23.633 -24.178 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.988 -24.665 -24.823 1.00 0.00 H new ATOM 0 HG23 VAL A 24 14.352 -23.458 -23.567 1.00 0.00 H new ATOM 404 N LEU A 25 15.775 -20.551 -27.069 1.00 0.00 N ATOM 405 CA LEU A 25 15.956 -19.671 -28.218 1.00 0.00 C ATOM 406 C LEU A 25 17.186 -20.074 -29.025 1.00 0.00 C ATOM 407 O LEU A 25 17.175 -20.031 -30.256 1.00 0.00 O ATOM 408 CB LEU A 25 16.088 -18.218 -27.757 1.00 0.00 C ATOM 409 CG LEU A 25 14.788 -17.417 -27.681 1.00 0.00 C ATOM 410 CD1 LEU A 25 15.076 -15.961 -27.350 1.00 0.00 C ATOM 411 CD2 LEU A 25 14.017 -17.526 -28.988 1.00 0.00 C ATOM 0 H LEU A 25 15.705 -20.067 -26.174 1.00 0.00 H new ATOM 0 HA LEU A 25 15.078 -19.765 -28.857 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.553 -18.211 -26.771 1.00 0.00 H new ATOM 0 HB3 LEU A 25 16.769 -17.703 -28.435 1.00 0.00 H new ATOM 0 HG LEU A 25 14.173 -17.835 -26.884 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.139 -15.407 -27.300 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.585 -15.900 -26.388 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.711 -15.531 -28.124 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.095 -16.950 -28.915 1.00 0.00 H new ATOM 0 HD22 LEU A 25 14.626 -17.135 -29.803 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.777 -18.571 -29.183 1.00 0.00 H new ATOM 423 N LEU A 26 18.243 -20.468 -28.324 1.00 0.00 N ATOM 424 CA LEU A 26 19.481 -20.881 -28.975 1.00 0.00 C ATOM 425 C LEU A 26 19.213 -21.961 -30.019 1.00 0.00 C ATOM 426 O LEU A 26 19.500 -21.778 -31.203 1.00 0.00 O ATOM 427 CB LEU A 26 20.479 -21.397 -27.936 1.00 0.00 C ATOM 428 CG LEU A 26 21.496 -20.379 -27.419 1.00 0.00 C ATOM 429 CD1 LEU A 26 22.324 -19.822 -28.566 1.00 0.00 C ATOM 430 CD2 LEU A 26 20.792 -19.256 -26.671 1.00 0.00 C ATOM 0 H LEU A 26 18.268 -20.510 -27.305 1.00 0.00 H new ATOM 0 HA LEU A 26 19.906 -20.012 -29.478 1.00 0.00 H new ATOM 0 HB2 LEU A 26 19.919 -21.785 -27.085 1.00 0.00 H new ATOM 0 HB3 LEU A 26 21.023 -22.236 -28.370 1.00 0.00 H new ATOM 0 HG LEU A 26 22.168 -20.885 -26.726 1.00 0.00 H new ATOM 0 HD11 LEU A 26 23.042 -19.099 -28.179 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.857 -20.635 -29.058 1.00 0.00 H new ATOM 0 HD13 LEU A 26 21.667 -19.332 -29.284 1.00 0.00 H new ATOM 0 HD21 LEU A 26 21.531 -18.540 -26.310 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.096 -18.752 -27.342 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.244 -19.670 -25.825 1.00 0.00 H new ATOM 442 N ILE A 27 18.661 -23.084 -29.573 1.00 0.00 N ATOM 443 CA ILE A 27 18.351 -24.191 -30.469 1.00 0.00 C ATOM 444 C ILE A 27 17.458 -23.734 -31.618 1.00 0.00 C ATOM 445 O ILE A 27 17.745 -23.999 -32.786 1.00 0.00 O ATOM 446 CB ILE A 27 17.657 -25.344 -29.721 1.00 0.00 C ATOM 447 CG1 ILE A 27 18.695 -26.340 -29.200 1.00 0.00 C ATOM 448 CG2 ILE A 27 16.657 -26.040 -30.632 1.00 0.00 C ATOM 449 CD1 ILE A 27 18.560 -26.636 -27.722 1.00 0.00 C ATOM 0 H ILE A 27 18.419 -23.251 -28.596 1.00 0.00 H new ATOM 0 HA ILE A 27 19.300 -24.548 -30.869 1.00 0.00 H new ATOM 0 HB ILE A 27 17.117 -24.932 -28.869 1.00 0.00 H new ATOM 0 HG12 ILE A 27 18.605 -27.272 -29.759 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.693 -25.947 -29.394 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.175 -26.853 -30.089 1.00 0.00 H new ATOM 0 HG22 ILE A 27 15.903 -25.324 -30.959 1.00 0.00 H new ATOM 0 HG23 ILE A 27 17.176 -26.443 -31.502 1.00 0.00 H new ATOM 0 HD11 ILE A 27 19.328 -27.349 -27.422 1.00 0.00 H new ATOM 0 HD12 ILE A 27 18.680 -25.714 -27.154 1.00 0.00 H new ATOM 0 HD13 ILE A 27 17.575 -27.059 -27.524 1.00 0.00 H new ATOM 461 N HIS A 28 16.373 -23.045 -31.279 1.00 0.00 N ATOM 462 CA HIS A 28 15.437 -22.549 -32.282 1.00 0.00 C ATOM 463 C HIS A 28 16.179 -21.845 -33.414 1.00 0.00 C ATOM 464 O HIS A 28 15.767 -21.907 -34.573 1.00 0.00 O ATOM 465 CB HIS A 28 14.431 -21.592 -31.643 1.00 0.00 C ATOM 466 CG HIS A 28 13.548 -20.901 -32.635 1.00 0.00 C ATOM 467 ND1 HIS A 28 13.295 -19.546 -32.602 1.00 0.00 N ATOM 468 CD2 HIS A 28 12.858 -21.385 -33.694 1.00 0.00 C ATOM 469 CE1 HIS A 28 12.486 -19.227 -33.597 1.00 0.00 C ATOM 470 NE2 HIS A 28 12.207 -20.325 -34.275 1.00 0.00 N ATOM 0 H HIS A 28 16.120 -22.817 -30.317 1.00 0.00 H new ATOM 0 HA HIS A 28 14.901 -23.402 -32.697 1.00 0.00 H new ATOM 0 HB2 HIS A 28 13.809 -22.147 -30.941 1.00 0.00 H new ATOM 0 HB3 HIS A 28 14.972 -20.842 -31.066 1.00 0.00 H new ATOM 0 HD2 HIS A 28 12.826 -22.414 -34.021 1.00 0.00 H new ATOM 0 HE1 HIS A 28 12.116 -18.237 -33.818 1.00 0.00 H new ATOM 0 HE2 HIS A 28 11.605 -20.377 -35.097 1.00 0.00 H new ATOM 478 N PHE A 29 17.273 -21.174 -33.071 1.00 0.00 N ATOM 479 CA PHE A 29 18.071 -20.456 -34.059 1.00 0.00 C ATOM 480 C PHE A 29 19.261 -21.297 -34.512 1.00 0.00 C ATOM 481 O PHE A 29 19.839 -21.052 -35.570 1.00 0.00 O ATOM 482 CB PHE A 29 18.562 -19.127 -33.480 1.00 0.00 C ATOM 483 CG PHE A 29 17.520 -18.045 -33.496 1.00 0.00 C ATOM 484 CD1 PHE A 29 16.992 -17.591 -34.693 1.00 0.00 C ATOM 485 CD2 PHE A 29 17.069 -17.483 -32.313 1.00 0.00 C ATOM 486 CE1 PHE A 29 16.034 -16.595 -34.710 1.00 0.00 C ATOM 487 CE2 PHE A 29 16.111 -16.486 -32.323 1.00 0.00 C ATOM 488 CZ PHE A 29 15.592 -16.043 -33.524 1.00 0.00 C ATOM 0 H PHE A 29 17.628 -21.112 -32.117 1.00 0.00 H new ATOM 0 HA PHE A 29 17.439 -20.256 -34.925 1.00 0.00 H new ATOM 0 HB2 PHE A 29 18.893 -19.287 -32.454 1.00 0.00 H new ATOM 0 HB3 PHE A 29 19.431 -18.792 -34.046 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.333 -18.020 -35.624 1.00 0.00 H new ATOM 0 HD2 PHE A 29 17.470 -17.828 -31.372 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.631 -16.249 -35.650 1.00 0.00 H new ATOM 0 HE2 PHE A 29 15.769 -16.055 -31.394 1.00 0.00 H new ATOM 0 HZ PHE A 29 14.842 -15.266 -33.535 1.00 0.00 H new ATOM 498 N GLU A 30 19.619 -22.289 -33.703 1.00 0.00 N ATOM 499 CA GLU A 30 20.741 -23.165 -34.021 1.00 0.00 C ATOM 500 C GLU A 30 20.398 -24.087 -35.188 1.00 0.00 C ATOM 501 O GLU A 30 21.236 -24.860 -35.649 1.00 0.00 O ATOM 502 CB GLU A 30 21.129 -23.997 -32.797 1.00 0.00 C ATOM 503 CG GLU A 30 20.654 -25.439 -32.865 1.00 0.00 C ATOM 504 CD GLU A 30 20.952 -26.212 -31.595 1.00 0.00 C ATOM 505 OE1 GLU A 30 21.730 -25.705 -30.760 1.00 0.00 O ATOM 506 OE2 GLU A 30 20.407 -27.325 -31.437 1.00 0.00 O ATOM 0 H GLU A 30 19.149 -22.506 -32.824 1.00 0.00 H new ATOM 0 HA GLU A 30 21.586 -22.540 -34.310 1.00 0.00 H new ATOM 0 HB2 GLU A 30 22.214 -23.985 -32.689 1.00 0.00 H new ATOM 0 HB3 GLU A 30 20.715 -23.529 -31.904 1.00 0.00 H new ATOM 0 HG2 GLU A 30 19.580 -25.455 -33.052 1.00 0.00 H new ATOM 0 HG3 GLU A 30 21.133 -25.936 -33.709 1.00 0.00 H new ATOM 513 N GLY A 31 19.158 -23.997 -35.660 1.00 0.00 N ATOM 514 CA GLY A 31 18.725 -24.828 -36.769 1.00 0.00 C ATOM 515 C GLY A 31 17.477 -25.624 -36.443 1.00 0.00 C ATOM 516 O GLY A 31 17.406 -26.821 -36.720 1.00 0.00 O ATOM 0 H GLY A 31 18.446 -23.364 -35.295 1.00 0.00 H new ATOM 0 HA2 GLY A 31 18.534 -24.198 -37.638 1.00 0.00 H new ATOM 0 HA3 GLY A 31 19.528 -25.513 -37.042 1.00 0.00 H new ATOM 520 N TRP A 32 16.491 -24.959 -35.852 1.00 0.00 N ATOM 521 CA TRP A 32 15.239 -25.613 -35.487 1.00 0.00 C ATOM 522 C TRP A 32 14.054 -24.943 -36.174 1.00 0.00 C ATOM 523 O TRP A 32 12.908 -25.111 -35.757 1.00 0.00 O ATOM 524 CB TRP A 32 15.049 -25.584 -33.970 1.00 0.00 C ATOM 525 CG TRP A 32 14.805 -26.938 -33.376 1.00 0.00 C ATOM 526 CD1 TRP A 32 13.654 -27.380 -32.787 1.00 0.00 C ATOM 527 CD2 TRP A 32 15.734 -28.026 -33.311 1.00 0.00 C ATOM 528 NE1 TRP A 32 13.812 -28.677 -32.361 1.00 0.00 N ATOM 529 CE2 TRP A 32 15.078 -29.096 -32.671 1.00 0.00 C ATOM 530 CE3 TRP A 32 17.054 -28.201 -33.734 1.00 0.00 C ATOM 531 CZ2 TRP A 32 15.701 -30.321 -32.444 1.00 0.00 C ATOM 532 CZ3 TRP A 32 17.671 -29.416 -33.507 1.00 0.00 C ATOM 533 CH2 TRP A 32 16.994 -30.464 -32.868 1.00 0.00 C ATOM 0 H TRP A 32 16.534 -23.968 -35.615 1.00 0.00 H new ATOM 0 HA TRP A 32 15.288 -26.650 -35.820 1.00 0.00 H new ATOM 0 HB2 TRP A 32 15.934 -25.147 -33.508 1.00 0.00 H new ATOM 0 HB3 TRP A 32 14.209 -24.933 -33.729 1.00 0.00 H new ATOM 0 HD1 TRP A 32 12.753 -26.796 -32.673 1.00 0.00 H new ATOM 0 HE1 TRP A 32 13.101 -29.237 -31.890 1.00 0.00 H new ATOM 0 HE3 TRP A 32 17.583 -27.400 -34.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 15.182 -31.129 -31.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 18.692 -29.561 -33.827 1.00 0.00 H new ATOM 0 HH2 TRP A 32 17.503 -31.403 -32.707 1.00 0.00 H new ATOM 544 N ARG A 33 14.338 -24.184 -37.227 1.00 0.00 N ATOM 545 CA ARG A 33 13.294 -23.488 -37.970 1.00 0.00 C ATOM 546 C ARG A 33 13.151 -24.064 -39.376 1.00 0.00 C ATOM 547 O ARG A 33 12.898 -23.333 -40.334 1.00 0.00 O ATOM 548 CB ARG A 33 13.606 -21.992 -38.050 1.00 0.00 C ATOM 549 CG ARG A 33 14.970 -21.686 -38.647 1.00 0.00 C ATOM 550 CD ARG A 33 14.846 -20.941 -39.967 1.00 0.00 C ATOM 551 NE ARG A 33 16.072 -20.225 -40.308 1.00 0.00 N ATOM 552 CZ ARG A 33 16.448 -19.093 -39.725 1.00 0.00 C ATOM 553 NH1 ARG A 33 15.698 -18.550 -38.776 1.00 0.00 N ATOM 554 NH2 ARG A 33 17.578 -18.500 -40.091 1.00 0.00 N ATOM 0 H ARG A 33 15.282 -24.035 -37.585 1.00 0.00 H new ATOM 0 HA ARG A 33 12.352 -23.628 -37.441 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.838 -21.501 -38.648 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.553 -21.564 -37.049 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.550 -21.089 -37.944 1.00 0.00 H new ATOM 0 HG3 ARG A 33 15.517 -22.616 -38.803 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.606 -21.648 -40.761 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.018 -20.235 -39.908 1.00 0.00 H new ATOM 0 HE ARG A 33 16.673 -20.616 -41.034 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.829 -19.002 -38.492 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.990 -17.680 -38.330 1.00 0.00 H new ATOM 0 HH21 ARG A 33 18.158 -18.914 -40.821 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.866 -17.630 -39.643 1.00 0.00 H new ATOM 568 N ILE A 34 13.315 -25.378 -39.490 1.00 0.00 N ATOM 569 CA ILE A 34 13.204 -26.052 -40.778 1.00 0.00 C ATOM 570 C ILE A 34 11.784 -25.959 -41.326 1.00 0.00 C ATOM 571 O ILE A 34 10.833 -26.156 -40.571 1.00 0.00 O ATOM 572 CB ILE A 34 13.607 -27.534 -40.674 1.00 0.00 C ATOM 573 CG1 ILE A 34 15.045 -27.660 -40.168 1.00 0.00 C ATOM 574 CG2 ILE A 34 13.453 -28.221 -42.023 1.00 0.00 C ATOM 575 CD1 ILE A 34 15.385 -29.041 -39.651 1.00 0.00 C ATOM 0 H ILE A 34 13.525 -25.997 -38.707 1.00 0.00 H new ATOM 0 HA ILE A 34 13.887 -25.546 -41.460 1.00 0.00 H new ATOM 0 HB ILE A 34 12.946 -28.025 -39.960 1.00 0.00 H new ATOM 0 HG12 ILE A 34 15.730 -27.405 -40.977 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.207 -26.933 -39.372 1.00 0.00 H new ATOM 0 HG21 ILE A 34 13.742 -29.268 -41.933 1.00 0.00 H new ATOM 0 HG22 ILE A 34 12.414 -28.158 -42.347 1.00 0.00 H new ATOM 0 HG23 ILE A 34 14.093 -27.730 -42.756 1.00 0.00 H new ATOM 0 HD11 ILE A 34 16.420 -29.057 -39.309 1.00 0.00 H new ATOM 0 HD12 ILE A 34 14.725 -29.292 -38.821 1.00 0.00 H new ATOM 0 HD13 ILE A 34 15.256 -29.771 -40.450 1.00 0.00 H new TER 587 ILE A 34 ATOM 588 N MET B 101 6.804 6.503 -9.157 1.00 0.00 N ATOM 589 CA MET B 101 6.965 6.535 -10.606 1.00 0.00 C ATOM 590 C MET B 101 8.130 7.436 -11.003 1.00 0.00 C ATOM 591 O MET B 101 8.055 8.162 -11.995 1.00 0.00 O ATOM 592 CB MET B 101 5.678 7.021 -11.274 1.00 0.00 C ATOM 593 CG MET B 101 4.427 6.324 -10.762 1.00 0.00 C ATOM 594 SD MET B 101 2.913 7.023 -11.448 1.00 0.00 S ATOM 595 CE MET B 101 1.674 6.118 -10.524 1.00 0.00 C ATOM 0 HA MET B 101 7.180 5.522 -10.945 1.00 0.00 H new ATOM 0 HB2 MET B 101 5.578 8.094 -11.113 1.00 0.00 H new ATOM 0 HB3 MET B 101 5.756 6.866 -12.350 1.00 0.00 H new ATOM 0 HG2 MET B 101 4.479 5.264 -11.011 1.00 0.00 H new ATOM 0 HG3 MET B 101 4.395 6.395 -9.675 1.00 0.00 H new ATOM 0 HE1 MET B 101 0.680 6.440 -10.836 1.00 0.00 H new ATOM 0 HE2 MET B 101 1.786 5.051 -10.714 1.00 0.00 H new ATOM 0 HE3 MET B 101 1.800 6.312 -9.459 1.00 0.00 H new ATOM 605 N ASP B 102 9.205 7.385 -10.224 1.00 0.00 N ATOM 606 CA ASP B 102 10.385 8.197 -10.495 1.00 0.00 C ATOM 607 C ASP B 102 11.549 7.326 -10.957 1.00 0.00 C ATOM 608 O ASP B 102 12.658 7.816 -11.171 1.00 0.00 O ATOM 609 CB ASP B 102 10.786 8.985 -9.247 1.00 0.00 C ATOM 610 CG ASP B 102 9.958 10.242 -9.066 1.00 0.00 C ATOM 611 OD1 ASP B 102 9.209 10.599 -9.999 1.00 0.00 O ATOM 612 OD2 ASP B 102 10.058 10.868 -7.990 1.00 0.00 O ATOM 0 H ASP B 102 9.283 6.790 -9.400 1.00 0.00 H new ATOM 0 HA ASP B 102 10.139 8.897 -11.293 1.00 0.00 H new ATOM 0 HB2 ASP B 102 10.674 8.350 -8.368 1.00 0.00 H new ATOM 0 HB3 ASP B 102 11.840 9.254 -9.314 1.00 0.00 H new ATOM 617 N SER B 103 11.289 6.031 -11.109 1.00 0.00 N ATOM 618 CA SER B 103 12.316 5.090 -11.541 1.00 0.00 C ATOM 619 C SER B 103 11.829 4.259 -12.724 1.00 0.00 C ATOM 620 O SER B 103 12.139 3.074 -12.834 1.00 0.00 O ATOM 621 CB SER B 103 12.713 4.170 -10.386 1.00 0.00 C ATOM 622 OG SER B 103 13.097 4.918 -9.245 1.00 0.00 O ATOM 0 H SER B 103 10.376 5.610 -10.939 1.00 0.00 H new ATOM 0 HA SER B 103 13.188 5.662 -11.856 1.00 0.00 H new ATOM 0 HB2 SER B 103 11.877 3.518 -10.133 1.00 0.00 H new ATOM 0 HB3 SER B 103 13.536 3.526 -10.696 1.00 0.00 H new ATOM 0 HG SER B 103 13.344 4.306 -8.521 1.00 0.00 H new ATOM 628 N ALA B 104 11.064 4.892 -13.608 1.00 0.00 N ATOM 629 CA ALA B 104 10.534 4.213 -14.784 1.00 0.00 C ATOM 630 C ALA B 104 11.644 3.898 -15.782 1.00 0.00 C ATOM 631 O ALA B 104 11.897 2.741 -16.121 1.00 0.00 O ATOM 632 CB ALA B 104 9.456 5.060 -15.442 1.00 0.00 C ATOM 0 H ALA B 104 10.798 5.874 -13.532 1.00 0.00 H new ATOM 0 HA ALA B 104 10.093 3.270 -14.461 1.00 0.00 H new ATOM 0 HB1 ALA B 104 9.070 4.540 -16.319 1.00 0.00 H new ATOM 0 HB2 ALA B 104 8.645 5.230 -14.734 1.00 0.00 H new ATOM 0 HB3 ALA B 104 9.880 6.017 -15.745 1.00 0.00 H new ATOM 638 N PRO B 105 12.323 4.949 -16.264 1.00 0.00 N ATOM 639 CA PRO B 105 13.417 4.809 -17.230 1.00 0.00 C ATOM 640 C PRO B 105 14.655 4.167 -16.615 1.00 0.00 C ATOM 641 O PRO B 105 15.450 3.534 -17.311 1.00 0.00 O ATOM 642 CB PRO B 105 13.712 6.253 -17.643 1.00 0.00 C ATOM 643 CG PRO B 105 13.258 7.078 -16.489 1.00 0.00 C ATOM 644 CD PRO B 105 12.076 6.355 -15.904 1.00 0.00 C ATOM 0 HA PRO B 105 13.145 4.160 -18.063 1.00 0.00 H new ATOM 0 HB2 PRO B 105 14.774 6.399 -17.840 1.00 0.00 H new ATOM 0 HB3 PRO B 105 13.178 6.521 -18.555 1.00 0.00 H new ATOM 0 HG2 PRO B 105 14.053 7.188 -15.751 1.00 0.00 H new ATOM 0 HG3 PRO B 105 12.981 8.082 -16.812 1.00 0.00 H new ATOM 0 HD2 PRO B 105 12.018 6.489 -14.824 1.00 0.00 H new ATOM 0 HD3 PRO B 105 11.137 6.717 -16.321 1.00 0.00 H new ATOM 652 N PHE B 106 14.814 4.333 -15.306 1.00 0.00 N ATOM 653 CA PHE B 106 15.957 3.770 -14.596 1.00 0.00 C ATOM 654 C PHE B 106 15.818 2.257 -14.457 1.00 0.00 C ATOM 655 O PHE B 106 16.795 1.520 -14.588 1.00 0.00 O ATOM 656 CB PHE B 106 16.092 4.411 -13.214 1.00 0.00 C ATOM 657 CG PHE B 106 17.397 5.125 -13.009 1.00 0.00 C ATOM 658 CD1 PHE B 106 18.553 4.415 -12.726 1.00 0.00 C ATOM 659 CD2 PHE B 106 17.469 6.506 -13.099 1.00 0.00 C ATOM 660 CE1 PHE B 106 19.756 5.070 -12.537 1.00 0.00 C ATOM 661 CE2 PHE B 106 18.668 7.166 -12.911 1.00 0.00 C ATOM 662 CZ PHE B 106 19.814 6.447 -12.630 1.00 0.00 C ATOM 0 H PHE B 106 14.165 4.853 -14.715 1.00 0.00 H new ATOM 0 HA PHE B 106 16.855 3.983 -15.176 1.00 0.00 H new ATOM 0 HB2 PHE B 106 15.274 5.117 -13.068 1.00 0.00 H new ATOM 0 HB3 PHE B 106 15.986 3.639 -12.452 1.00 0.00 H new ATOM 0 HD1 PHE B 106 18.514 3.338 -12.652 1.00 0.00 H new ATOM 0 HD2 PHE B 106 16.577 7.073 -13.319 1.00 0.00 H new ATOM 0 HE1 PHE B 106 20.650 4.505 -12.317 1.00 0.00 H new ATOM 0 HE2 PHE B 106 18.710 8.243 -12.984 1.00 0.00 H new ATOM 0 HZ PHE B 106 20.753 6.960 -12.483 1.00 0.00 H new ATOM 672 N GLU B 107 14.598 1.802 -14.189 1.00 0.00 N ATOM 673 CA GLU B 107 14.332 0.378 -14.030 1.00 0.00 C ATOM 674 C GLU B 107 14.798 -0.403 -15.256 1.00 0.00 C ATOM 675 O GLU B 107 15.434 -1.451 -15.134 1.00 0.00 O ATOM 676 CB GLU B 107 12.839 0.138 -13.796 1.00 0.00 C ATOM 677 CG GLU B 107 12.524 -0.452 -12.432 1.00 0.00 C ATOM 678 CD GLU B 107 11.037 -0.653 -12.213 1.00 0.00 C ATOM 679 OE1 GLU B 107 10.477 -1.610 -12.787 1.00 0.00 O ATOM 680 OE2 GLU B 107 10.433 0.147 -11.468 1.00 0.00 O ATOM 0 H GLU B 107 13.779 2.399 -14.078 1.00 0.00 H new ATOM 0 HA GLU B 107 14.890 0.025 -13.162 1.00 0.00 H new ATOM 0 HB2 GLU B 107 12.306 1.083 -13.906 1.00 0.00 H new ATOM 0 HB3 GLU B 107 12.462 -0.532 -14.568 1.00 0.00 H new ATOM 0 HG2 GLU B 107 13.036 -1.409 -12.327 1.00 0.00 H new ATOM 0 HG3 GLU B 107 12.916 0.206 -11.656 1.00 0.00 H new ATOM 687 N LEU B 108 14.477 0.115 -16.436 1.00 0.00 N ATOM 688 CA LEU B 108 14.862 -0.533 -17.686 1.00 0.00 C ATOM 689 C LEU B 108 16.360 -0.821 -17.711 1.00 0.00 C ATOM 690 O LEU B 108 16.798 -1.839 -18.249 1.00 0.00 O ATOM 691 CB LEU B 108 14.480 0.347 -18.878 1.00 0.00 C ATOM 692 CG LEU B 108 13.086 0.117 -19.462 1.00 0.00 C ATOM 693 CD1 LEU B 108 12.944 -1.314 -19.957 1.00 0.00 C ATOM 694 CD2 LEU B 108 12.015 0.434 -18.428 1.00 0.00 C ATOM 0 H LEU B 108 13.952 0.981 -16.554 1.00 0.00 H new ATOM 0 HA LEU B 108 14.327 -1.480 -17.756 1.00 0.00 H new ATOM 0 HB2 LEU B 108 14.557 1.391 -18.573 1.00 0.00 H new ATOM 0 HB3 LEU B 108 15.214 0.191 -19.669 1.00 0.00 H new ATOM 0 HG LEU B 108 12.954 0.788 -20.310 1.00 0.00 H new ATOM 0 HD11 LEU B 108 11.945 -1.459 -20.369 1.00 0.00 H new ATOM 0 HD12 LEU B 108 13.687 -1.507 -20.730 1.00 0.00 H new ATOM 0 HD13 LEU B 108 13.097 -2.003 -19.127 1.00 0.00 H new ATOM 0 HD21 LEU B 108 11.029 0.265 -18.861 1.00 0.00 H new ATOM 0 HD22 LEU B 108 12.145 -0.212 -17.559 1.00 0.00 H new ATOM 0 HD23 LEU B 108 12.102 1.476 -18.122 1.00 0.00 H new ATOM 706 N PHE B 109 17.140 0.080 -17.124 1.00 0.00 N ATOM 707 CA PHE B 109 18.589 -0.078 -17.078 1.00 0.00 C ATOM 708 C PHE B 109 18.969 -1.458 -16.549 1.00 0.00 C ATOM 709 O PHE B 109 19.955 -2.053 -16.985 1.00 0.00 O ATOM 710 CB PHE B 109 19.214 1.008 -16.200 1.00 0.00 C ATOM 711 CG PHE B 109 20.636 1.329 -16.564 1.00 0.00 C ATOM 712 CD1 PHE B 109 20.959 1.749 -17.844 1.00 0.00 C ATOM 713 CD2 PHE B 109 21.649 1.210 -15.626 1.00 0.00 C ATOM 714 CE1 PHE B 109 22.266 2.044 -18.182 1.00 0.00 C ATOM 715 CE2 PHE B 109 22.958 1.505 -15.958 1.00 0.00 C ATOM 716 CZ PHE B 109 23.267 1.923 -17.237 1.00 0.00 C ATOM 0 H PHE B 109 16.793 0.927 -16.674 1.00 0.00 H new ATOM 0 HA PHE B 109 18.973 0.020 -18.093 1.00 0.00 H new ATOM 0 HB2 PHE B 109 18.614 1.915 -16.276 1.00 0.00 H new ATOM 0 HB3 PHE B 109 19.177 0.688 -15.159 1.00 0.00 H new ATOM 0 HD1 PHE B 109 20.181 1.847 -18.586 1.00 0.00 H new ATOM 0 HD2 PHE B 109 21.413 0.883 -14.624 1.00 0.00 H new ATOM 0 HE1 PHE B 109 22.505 2.369 -19.184 1.00 0.00 H new ATOM 0 HE2 PHE B 109 23.738 1.409 -15.218 1.00 0.00 H new ATOM 0 HZ PHE B 109 24.289 2.155 -17.498 1.00 0.00 H new ATOM 726 N PHE B 110 18.180 -1.961 -15.605 1.00 0.00 N ATOM 727 CA PHE B 110 18.434 -3.270 -15.014 1.00 0.00 C ATOM 728 C PHE B 110 17.832 -4.379 -15.872 1.00 0.00 C ATOM 729 O PHE B 110 18.311 -5.513 -15.864 1.00 0.00 O ATOM 730 CB PHE B 110 17.857 -3.334 -13.599 1.00 0.00 C ATOM 731 CG PHE B 110 17.872 -4.715 -13.008 1.00 0.00 C ATOM 732 CD1 PHE B 110 16.814 -5.584 -13.218 1.00 0.00 C ATOM 733 CD2 PHE B 110 18.944 -5.143 -12.242 1.00 0.00 C ATOM 734 CE1 PHE B 110 16.825 -6.855 -12.675 1.00 0.00 C ATOM 735 CE2 PHE B 110 18.961 -6.413 -11.696 1.00 0.00 C ATOM 736 CZ PHE B 110 17.900 -7.270 -11.914 1.00 0.00 C ATOM 0 H PHE B 110 17.360 -1.482 -15.233 1.00 0.00 H new ATOM 0 HA PHE B 110 19.513 -3.417 -14.966 1.00 0.00 H new ATOM 0 HB2 PHE B 110 18.425 -2.665 -12.953 1.00 0.00 H new ATOM 0 HB3 PHE B 110 16.831 -2.966 -13.616 1.00 0.00 H new ATOM 0 HD1 PHE B 110 15.971 -5.265 -13.813 1.00 0.00 H new ATOM 0 HD2 PHE B 110 19.776 -4.477 -12.069 1.00 0.00 H new ATOM 0 HE1 PHE B 110 15.994 -7.523 -12.846 1.00 0.00 H new ATOM 0 HE2 PHE B 110 19.802 -6.734 -11.100 1.00 0.00 H new ATOM 0 HZ PHE B 110 17.911 -8.263 -11.490 1.00 0.00 H new ATOM 746 N MET B 111 16.779 -4.043 -16.610 1.00 0.00 N ATOM 747 CA MET B 111 16.112 -5.011 -17.474 1.00 0.00 C ATOM 748 C MET B 111 16.982 -5.354 -18.679 1.00 0.00 C ATOM 749 O MET B 111 16.906 -6.459 -19.216 1.00 0.00 O ATOM 750 CB MET B 111 14.763 -4.463 -17.942 1.00 0.00 C ATOM 751 CG MET B 111 13.609 -4.817 -17.018 1.00 0.00 C ATOM 752 SD MET B 111 13.779 -4.079 -15.382 1.00 0.00 S ATOM 753 CE MET B 111 12.084 -3.606 -15.046 1.00 0.00 C ATOM 0 H MET B 111 16.369 -3.109 -16.627 1.00 0.00 H new ATOM 0 HA MET B 111 15.946 -5.922 -16.898 1.00 0.00 H new ATOM 0 HB2 MET B 111 14.830 -3.378 -18.026 1.00 0.00 H new ATOM 0 HB3 MET B 111 14.550 -4.848 -18.939 1.00 0.00 H new ATOM 0 HG2 MET B 111 12.673 -4.484 -17.467 1.00 0.00 H new ATOM 0 HG3 MET B 111 13.547 -5.901 -16.919 1.00 0.00 H new ATOM 0 HE1 MET B 111 11.999 -3.265 -14.014 1.00 0.00 H new ATOM 0 HE2 MET B 111 11.791 -2.801 -15.720 1.00 0.00 H new ATOM 0 HE3 MET B 111 11.430 -4.464 -15.200 1.00 0.00 H new ATOM 763 N ILE B 112 17.805 -4.399 -19.100 1.00 0.00 N ATOM 764 CA ILE B 112 18.689 -4.602 -20.241 1.00 0.00 C ATOM 765 C ILE B 112 19.983 -5.289 -19.820 1.00 0.00 C ATOM 766 O ILE B 112 20.324 -6.357 -20.327 1.00 0.00 O ATOM 767 CB ILE B 112 19.030 -3.268 -20.932 1.00 0.00 C ATOM 768 CG1 ILE B 112 17.782 -2.674 -21.588 1.00 0.00 C ATOM 769 CG2 ILE B 112 20.131 -3.473 -21.963 1.00 0.00 C ATOM 770 CD1 ILE B 112 17.392 -1.323 -21.032 1.00 0.00 C ATOM 0 H ILE B 112 17.878 -3.478 -18.668 1.00 0.00 H new ATOM 0 HA ILE B 112 18.155 -5.241 -20.944 1.00 0.00 H new ATOM 0 HB ILE B 112 19.389 -2.567 -20.179 1.00 0.00 H new ATOM 0 HG12 ILE B 112 17.955 -2.580 -22.660 1.00 0.00 H new ATOM 0 HG13 ILE B 112 16.949 -3.365 -21.458 1.00 0.00 H new ATOM 0 HG21 ILE B 112 20.361 -2.522 -22.443 1.00 0.00 H new ATOM 0 HG22 ILE B 112 21.024 -3.856 -21.470 1.00 0.00 H new ATOM 0 HG23 ILE B 112 19.797 -4.188 -22.715 1.00 0.00 H new ATOM 0 HD11 ILE B 112 16.499 -0.963 -21.544 1.00 0.00 H new ATOM 0 HD12 ILE B 112 17.187 -1.414 -19.965 1.00 0.00 H new ATOM 0 HD13 ILE B 112 18.208 -0.617 -21.186 1.00 0.00 H new ATOM 782 N ASN B 113 20.699 -4.670 -18.887 1.00 0.00 N ATOM 783 CA ASN B 113 21.956 -5.223 -18.396 1.00 0.00 C ATOM 784 C ASN B 113 21.776 -6.671 -17.951 1.00 0.00 C ATOM 785 O ASN B 113 22.483 -7.567 -18.413 1.00 0.00 O ATOM 786 CB ASN B 113 22.486 -4.383 -17.232 1.00 0.00 C ATOM 787 CG ASN B 113 23.311 -3.200 -17.703 1.00 0.00 C ATOM 788 OD1 ASN B 113 24.431 -3.363 -18.187 1.00 0.00 O ATOM 789 ND2 ASN B 113 22.759 -2.000 -17.561 1.00 0.00 N ATOM 0 H ASN B 113 20.430 -3.785 -18.456 1.00 0.00 H new ATOM 0 HA ASN B 113 22.678 -5.199 -19.212 1.00 0.00 H new ATOM 0 HB2 ASN B 113 21.648 -4.024 -16.635 1.00 0.00 H new ATOM 0 HB3 ASN B 113 23.094 -5.011 -16.581 1.00 0.00 H new ATOM 0 HD21 ASN B 113 23.266 -1.167 -17.859 1.00 0.00 H new ATOM 0 HD22 ASN B 113 21.828 -1.912 -17.154 1.00 0.00 H new ATOM 796 N THR B 114 20.823 -6.894 -17.050 1.00 0.00 N ATOM 797 CA THR B 114 20.550 -8.232 -16.542 1.00 0.00 C ATOM 798 C THR B 114 20.312 -9.216 -17.683 1.00 0.00 C ATOM 799 O THR B 114 20.621 -10.401 -17.567 1.00 0.00 O ATOM 800 CB THR B 114 19.324 -8.240 -15.609 1.00 0.00 C ATOM 801 OG1 THR B 114 19.539 -7.346 -14.511 1.00 0.00 O ATOM 802 CG2 THR B 114 19.053 -9.641 -15.083 1.00 0.00 C ATOM 0 H THR B 114 20.228 -6.164 -16.658 1.00 0.00 H new ATOM 0 HA THR B 114 21.430 -8.540 -15.977 1.00 0.00 H new ATOM 0 HB THR B 114 18.457 -7.910 -16.182 1.00 0.00 H new ATOM 0 HG1 THR B 114 18.820 -7.456 -13.854 1.00 0.00 H new ATOM 0 HG21 THR B 114 18.183 -9.621 -14.427 1.00 0.00 H new ATOM 0 HG22 THR B 114 18.861 -10.313 -15.920 1.00 0.00 H new ATOM 0 HG23 THR B 114 19.920 -9.994 -14.525 1.00 0.00 H new ATOM 810 N SER B 115 19.761 -8.715 -18.784 1.00 0.00 N ATOM 811 CA SER B 115 19.478 -9.551 -19.945 1.00 0.00 C ATOM 812 C SER B 115 20.771 -9.981 -20.632 1.00 0.00 C ATOM 813 O SER B 115 21.089 -11.169 -20.690 1.00 0.00 O ATOM 814 CB SER B 115 18.586 -8.800 -20.936 1.00 0.00 C ATOM 815 OG SER B 115 17.759 -9.696 -21.658 1.00 0.00 O ATOM 0 H SER B 115 19.502 -7.735 -18.896 1.00 0.00 H new ATOM 0 HA SER B 115 18.955 -10.443 -19.601 1.00 0.00 H new ATOM 0 HB2 SER B 115 17.967 -8.081 -20.400 1.00 0.00 H new ATOM 0 HB3 SER B 115 19.206 -8.233 -21.630 1.00 0.00 H new ATOM 0 HG SER B 115 17.198 -9.192 -22.283 1.00 0.00 H new ATOM 821 N ILE B 116 21.510 -9.007 -21.150 1.00 0.00 N ATOM 822 CA ILE B 116 22.768 -9.284 -21.832 1.00 0.00 C ATOM 823 C ILE B 116 23.675 -10.163 -20.977 1.00 0.00 C ATOM 824 O ILE B 116 24.497 -10.918 -21.498 1.00 0.00 O ATOM 825 CB ILE B 116 23.516 -7.984 -22.185 1.00 0.00 C ATOM 826 CG1 ILE B 116 22.649 -7.099 -23.083 1.00 0.00 C ATOM 827 CG2 ILE B 116 24.840 -8.302 -22.864 1.00 0.00 C ATOM 828 CD1 ILE B 116 23.069 -5.646 -23.086 1.00 0.00 C ATOM 0 H ILE B 116 21.260 -8.019 -21.111 1.00 0.00 H new ATOM 0 HA ILE B 116 22.518 -9.811 -22.753 1.00 0.00 H new ATOM 0 HB ILE B 116 23.724 -7.440 -21.264 1.00 0.00 H new ATOM 0 HG12 ILE B 116 22.687 -7.482 -24.103 1.00 0.00 H new ATOM 0 HG13 ILE B 116 21.612 -7.168 -22.755 1.00 0.00 H new ATOM 0 HG21 ILE B 116 25.356 -7.373 -23.107 1.00 0.00 H new ATOM 0 HG22 ILE B 116 25.460 -8.897 -22.193 1.00 0.00 H new ATOM 0 HG23 ILE B 116 24.654 -8.864 -23.779 1.00 0.00 H new ATOM 0 HD11 ILE B 116 22.411 -5.078 -23.744 1.00 0.00 H new ATOM 0 HD12 ILE B 116 23.004 -5.246 -22.074 1.00 0.00 H new ATOM 0 HD13 ILE B 116 24.096 -5.565 -23.443 1.00 0.00 H new ATOM 840 N LEU B 117 23.520 -10.060 -19.662 1.00 0.00 N ATOM 841 CA LEU B 117 24.324 -10.847 -18.733 1.00 0.00 C ATOM 842 C LEU B 117 23.742 -12.246 -18.560 1.00 0.00 C ATOM 843 O LEU B 117 24.418 -13.246 -18.805 1.00 0.00 O ATOM 844 CB LEU B 117 24.405 -10.145 -17.377 1.00 0.00 C ATOM 845 CG LEU B 117 25.802 -9.723 -16.922 1.00 0.00 C ATOM 846 CD1 LEU B 117 25.719 -8.865 -15.668 1.00 0.00 C ATOM 847 CD2 LEU B 117 26.675 -10.945 -16.677 1.00 0.00 C ATOM 0 H LEU B 117 22.845 -9.440 -19.215 1.00 0.00 H new ATOM 0 HA LEU B 117 25.328 -10.940 -19.148 1.00 0.00 H new ATOM 0 HB2 LEU B 117 23.773 -9.258 -17.411 1.00 0.00 H new ATOM 0 HB3 LEU B 117 23.983 -10.808 -16.621 1.00 0.00 H new ATOM 0 HG LEU B 117 26.257 -9.129 -17.715 1.00 0.00 H new ATOM 0 HD11 LEU B 117 26.723 -8.574 -15.359 1.00 0.00 H new ATOM 0 HD12 LEU B 117 25.130 -7.972 -15.877 1.00 0.00 H new ATOM 0 HD13 LEU B 117 25.244 -9.434 -14.869 1.00 0.00 H new ATOM 0 HD21 LEU B 117 27.666 -10.625 -16.354 1.00 0.00 H new ATOM 0 HD22 LEU B 117 26.223 -11.566 -15.903 1.00 0.00 H new ATOM 0 HD23 LEU B 117 26.762 -11.521 -17.599 1.00 0.00 H new ATOM 859 N LEU B 118 22.484 -12.310 -18.139 1.00 0.00 N ATOM 860 CA LEU B 118 21.809 -13.587 -17.935 1.00 0.00 C ATOM 861 C LEU B 118 21.936 -14.473 -19.171 1.00 0.00 C ATOM 862 O LEU B 118 22.076 -15.692 -19.061 1.00 0.00 O ATOM 863 CB LEU B 118 20.332 -13.360 -17.607 1.00 0.00 C ATOM 864 CG LEU B 118 20.016 -12.993 -16.156 1.00 0.00 C ATOM 865 CD1 LEU B 118 18.521 -13.089 -15.895 1.00 0.00 C ATOM 866 CD2 LEU B 118 20.785 -13.893 -15.199 1.00 0.00 C ATOM 0 H LEU B 118 21.910 -11.492 -17.932 1.00 0.00 H new ATOM 0 HA LEU B 118 22.287 -14.093 -17.096 1.00 0.00 H new ATOM 0 HB2 LEU B 118 19.955 -12.566 -18.252 1.00 0.00 H new ATOM 0 HB3 LEU B 118 19.781 -14.266 -17.860 1.00 0.00 H new ATOM 0 HG LEU B 118 20.329 -11.963 -15.985 1.00 0.00 H new ATOM 0 HD11 LEU B 118 18.315 -12.824 -14.858 1.00 0.00 H new ATOM 0 HD12 LEU B 118 17.991 -12.403 -16.556 1.00 0.00 H new ATOM 0 HD13 LEU B 118 18.183 -14.108 -16.083 1.00 0.00 H new ATOM 0 HD21 LEU B 118 20.548 -13.618 -14.171 1.00 0.00 H new ATOM 0 HD22 LEU B 118 20.503 -14.932 -15.371 1.00 0.00 H new ATOM 0 HD23 LEU B 118 21.855 -13.775 -15.369 1.00 0.00 H new ATOM 878 N ILE B 119 21.888 -13.853 -20.345 1.00 0.00 N ATOM 879 CA ILE B 119 22.001 -14.585 -21.600 1.00 0.00 C ATOM 880 C ILE B 119 23.335 -15.319 -21.690 1.00 0.00 C ATOM 881 O ILE B 119 23.378 -16.549 -21.733 1.00 0.00 O ATOM 882 CB ILE B 119 21.861 -13.647 -22.813 1.00 0.00 C ATOM 883 CG1 ILE B 119 20.474 -13.003 -22.830 1.00 0.00 C ATOM 884 CG2 ILE B 119 22.112 -14.411 -24.105 1.00 0.00 C ATOM 885 CD1 ILE B 119 20.445 -11.647 -23.500 1.00 0.00 C ATOM 0 H ILE B 119 21.772 -12.845 -20.453 1.00 0.00 H new ATOM 0 HA ILE B 119 21.188 -15.311 -21.617 1.00 0.00 H new ATOM 0 HB ILE B 119 22.607 -12.856 -22.730 1.00 0.00 H new ATOM 0 HG12 ILE B 119 19.780 -13.668 -23.344 1.00 0.00 H new ATOM 0 HG13 ILE B 119 20.117 -12.900 -21.805 1.00 0.00 H new ATOM 0 HG21 ILE B 119 22.009 -13.735 -24.954 1.00 0.00 H new ATOM 0 HG22 ILE B 119 23.120 -14.827 -24.092 1.00 0.00 H new ATOM 0 HG23 ILE B 119 21.387 -15.220 -24.196 1.00 0.00 H new ATOM 0 HD11 ILE B 119 19.430 -11.251 -23.475 1.00 0.00 H new ATOM 0 HD12 ILE B 119 21.113 -10.966 -22.973 1.00 0.00 H new ATOM 0 HD13 ILE B 119 20.771 -11.746 -24.536 1.00 0.00 H new ATOM 897 N PHE B 120 24.423 -14.556 -21.717 1.00 0.00 N ATOM 898 CA PHE B 120 25.760 -15.133 -21.801 1.00 0.00 C ATOM 899 C PHE B 120 26.061 -15.987 -20.573 1.00 0.00 C ATOM 900 O PHE B 120 26.896 -16.892 -20.623 1.00 0.00 O ATOM 901 CB PHE B 120 26.808 -14.027 -21.936 1.00 0.00 C ATOM 902 CG PHE B 120 28.185 -14.541 -22.248 1.00 0.00 C ATOM 903 CD1 PHE B 120 28.420 -15.275 -23.400 1.00 0.00 C ATOM 904 CD2 PHE B 120 29.243 -14.290 -21.390 1.00 0.00 C ATOM 905 CE1 PHE B 120 29.685 -15.749 -23.689 1.00 0.00 C ATOM 906 CE2 PHE B 120 30.511 -14.762 -21.674 1.00 0.00 C ATOM 907 CZ PHE B 120 30.732 -15.492 -22.826 1.00 0.00 C ATOM 0 H PHE B 120 24.405 -13.537 -21.682 1.00 0.00 H new ATOM 0 HA PHE B 120 25.799 -15.771 -22.684 1.00 0.00 H new ATOM 0 HB2 PHE B 120 26.499 -13.339 -22.723 1.00 0.00 H new ATOM 0 HB3 PHE B 120 26.844 -13.456 -21.008 1.00 0.00 H new ATOM 0 HD1 PHE B 120 27.605 -15.479 -24.079 1.00 0.00 H new ATOM 0 HD2 PHE B 120 29.075 -13.719 -20.489 1.00 0.00 H new ATOM 0 HE1 PHE B 120 29.855 -16.320 -24.590 1.00 0.00 H new ATOM 0 HE2 PHE B 120 31.327 -14.560 -20.996 1.00 0.00 H new ATOM 0 HZ PHE B 120 31.722 -15.861 -23.051 1.00 0.00 H new ATOM 917 N ILE B 121 25.377 -15.693 -19.472 1.00 0.00 N ATOM 918 CA ILE B 121 25.571 -16.434 -18.232 1.00 0.00 C ATOM 919 C ILE B 121 24.977 -17.835 -18.330 1.00 0.00 C ATOM 920 O ILE B 121 25.657 -18.829 -18.072 1.00 0.00 O ATOM 921 CB ILE B 121 24.937 -15.703 -17.034 1.00 0.00 C ATOM 922 CG1 ILE B 121 25.941 -14.729 -16.414 1.00 0.00 C ATOM 923 CG2 ILE B 121 24.453 -16.705 -15.997 1.00 0.00 C ATOM 924 CD1 ILE B 121 25.332 -13.814 -15.375 1.00 0.00 C ATOM 0 H ILE B 121 24.684 -14.947 -19.414 1.00 0.00 H new ATOM 0 HA ILE B 121 26.647 -16.508 -18.074 1.00 0.00 H new ATOM 0 HB ILE B 121 24.078 -15.134 -17.388 1.00 0.00 H new ATOM 0 HG12 ILE B 121 26.751 -15.297 -15.956 1.00 0.00 H new ATOM 0 HG13 ILE B 121 26.384 -14.124 -17.205 1.00 0.00 H new ATOM 0 HG21 ILE B 121 24.008 -16.172 -15.157 1.00 0.00 H new ATOM 0 HG22 ILE B 121 23.708 -17.362 -16.446 1.00 0.00 H new ATOM 0 HG23 ILE B 121 25.296 -17.299 -15.644 1.00 0.00 H new ATOM 0 HD11 ILE B 121 26.101 -13.151 -14.978 1.00 0.00 H new ATOM 0 HD12 ILE B 121 24.541 -13.219 -15.832 1.00 0.00 H new ATOM 0 HD13 ILE B 121 24.914 -14.411 -14.564 1.00 0.00 H new ATOM 936 N PHE B 122 23.704 -17.908 -18.706 1.00 0.00 N ATOM 937 CA PHE B 122 23.018 -19.187 -18.839 1.00 0.00 C ATOM 938 C PHE B 122 23.571 -19.980 -20.020 1.00 0.00 C ATOM 939 O PHE B 122 23.962 -21.139 -19.874 1.00 0.00 O ATOM 940 CB PHE B 122 21.515 -18.968 -19.017 1.00 0.00 C ATOM 941 CG PHE B 122 20.869 -18.270 -17.854 1.00 0.00 C ATOM 942 CD1 PHE B 122 21.229 -18.585 -16.554 1.00 0.00 C ATOM 943 CD2 PHE B 122 19.904 -17.298 -18.062 1.00 0.00 C ATOM 944 CE1 PHE B 122 20.635 -17.945 -15.482 1.00 0.00 C ATOM 945 CE2 PHE B 122 19.307 -16.654 -16.994 1.00 0.00 C ATOM 946 CZ PHE B 122 19.675 -16.977 -15.702 1.00 0.00 C ATOM 0 H PHE B 122 23.127 -17.096 -18.924 1.00 0.00 H new ATOM 0 HA PHE B 122 23.189 -19.759 -17.927 1.00 0.00 H new ATOM 0 HB2 PHE B 122 21.346 -18.383 -19.921 1.00 0.00 H new ATOM 0 HB3 PHE B 122 21.030 -19.933 -19.166 1.00 0.00 H new ATOM 0 HD1 PHE B 122 21.982 -19.339 -16.376 1.00 0.00 H new ATOM 0 HD2 PHE B 122 19.615 -17.040 -19.070 1.00 0.00 H new ATOM 0 HE1 PHE B 122 20.922 -18.202 -14.473 1.00 0.00 H new ATOM 0 HE2 PHE B 122 18.554 -15.900 -17.169 1.00 0.00 H new ATOM 0 HZ PHE B 122 19.213 -16.473 -14.866 1.00 0.00 H new ATOM 956 N ILE B 123 23.599 -19.348 -21.188 1.00 0.00 N ATOM 957 CA ILE B 123 24.104 -19.994 -22.394 1.00 0.00 C ATOM 958 C ILE B 123 25.458 -20.649 -22.141 1.00 0.00 C ATOM 959 O ILE B 123 25.662 -21.820 -22.460 1.00 0.00 O ATOM 960 CB ILE B 123 24.240 -18.991 -23.555 1.00 0.00 C ATOM 961 CG1 ILE B 123 22.938 -18.923 -24.354 1.00 0.00 C ATOM 962 CG2 ILE B 123 25.402 -19.379 -24.456 1.00 0.00 C ATOM 963 CD1 ILE B 123 22.036 -17.780 -23.945 1.00 0.00 C ATOM 0 H ILE B 123 23.278 -18.390 -21.325 1.00 0.00 H new ATOM 0 HA ILE B 123 23.379 -20.760 -22.669 1.00 0.00 H new ATOM 0 HB ILE B 123 24.441 -18.003 -23.141 1.00 0.00 H new ATOM 0 HG12 ILE B 123 23.176 -18.826 -25.413 1.00 0.00 H new ATOM 0 HG13 ILE B 123 22.398 -19.862 -24.233 1.00 0.00 H new ATOM 0 HG21 ILE B 123 25.485 -18.661 -25.272 1.00 0.00 H new ATOM 0 HG22 ILE B 123 26.326 -19.380 -23.878 1.00 0.00 H new ATOM 0 HG23 ILE B 123 25.229 -20.374 -24.865 1.00 0.00 H new ATOM 0 HD11 ILE B 123 21.132 -17.794 -24.554 1.00 0.00 H new ATOM 0 HD12 ILE B 123 21.767 -17.887 -22.894 1.00 0.00 H new ATOM 0 HD13 ILE B 123 22.558 -16.834 -24.092 1.00 0.00 H new ATOM 975 N VAL B 124 26.380 -19.885 -21.563 1.00 0.00 N ATOM 976 CA VAL B 124 27.714 -20.391 -21.264 1.00 0.00 C ATOM 977 C VAL B 124 27.663 -21.476 -20.194 1.00 0.00 C ATOM 978 O VAL B 124 28.339 -22.500 -20.300 1.00 0.00 O ATOM 979 CB VAL B 124 28.649 -19.263 -20.791 1.00 0.00 C ATOM 980 CG1 VAL B 124 29.922 -19.841 -20.190 1.00 0.00 C ATOM 981 CG2 VAL B 124 28.973 -18.322 -21.942 1.00 0.00 C ATOM 0 H VAL B 124 26.227 -18.913 -21.293 1.00 0.00 H new ATOM 0 HA VAL B 124 28.106 -20.814 -22.189 1.00 0.00 H new ATOM 0 HB VAL B 124 28.137 -18.691 -20.017 1.00 0.00 H new ATOM 0 HG11 VAL B 124 30.571 -19.029 -19.861 1.00 0.00 H new ATOM 0 HG12 VAL B 124 29.668 -20.471 -19.337 1.00 0.00 H new ATOM 0 HG13 VAL B 124 30.440 -20.438 -20.940 1.00 0.00 H new ATOM 0 HG21 VAL B 124 29.635 -17.531 -21.590 1.00 0.00 H new ATOM 0 HG22 VAL B 124 29.465 -18.879 -22.740 1.00 0.00 H new ATOM 0 HG23 VAL B 124 28.051 -17.882 -22.322 1.00 0.00 H new ATOM 991 N LEU B 125 26.856 -21.246 -19.164 1.00 0.00 N ATOM 992 CA LEU B 125 26.716 -22.204 -18.073 1.00 0.00 C ATOM 993 C LEU B 125 26.333 -23.582 -18.605 1.00 0.00 C ATOM 994 O LEU B 125 26.812 -24.605 -18.113 1.00 0.00 O ATOM 995 CB LEU B 125 25.663 -21.720 -17.075 1.00 0.00 C ATOM 996 CG LEU B 125 26.180 -20.873 -15.912 1.00 0.00 C ATOM 997 CD1 LEU B 125 25.057 -20.567 -14.934 1.00 0.00 C ATOM 998 CD2 LEU B 125 27.326 -21.582 -15.205 1.00 0.00 C ATOM 0 H LEU B 125 26.289 -20.404 -19.062 1.00 0.00 H new ATOM 0 HA LEU B 125 27.678 -22.284 -17.567 1.00 0.00 H new ATOM 0 HB2 LEU B 125 24.917 -21.139 -17.618 1.00 0.00 H new ATOM 0 HB3 LEU B 125 25.152 -22.591 -16.665 1.00 0.00 H new ATOM 0 HG LEU B 125 26.553 -19.930 -16.312 1.00 0.00 H new ATOM 0 HD11 LEU B 125 25.444 -19.963 -14.113 1.00 0.00 H new ATOM 0 HD12 LEU B 125 24.267 -20.018 -15.447 1.00 0.00 H new ATOM 0 HD13 LEU B 125 24.654 -21.500 -14.540 1.00 0.00 H new ATOM 0 HD21 LEU B 125 27.682 -20.965 -14.380 1.00 0.00 H new ATOM 0 HD22 LEU B 125 26.978 -22.540 -14.818 1.00 0.00 H new ATOM 0 HD23 LEU B 125 28.140 -21.750 -15.910 1.00 0.00 H new ATOM 1010 N LEU B 126 25.469 -23.602 -19.613 1.00 0.00 N ATOM 1011 CA LEU B 126 25.023 -24.854 -20.215 1.00 0.00 C ATOM 1012 C LEU B 126 26.213 -25.716 -20.624 1.00 0.00 C ATOM 1013 O LEU B 126 26.364 -26.845 -20.158 1.00 0.00 O ATOM 1014 CB LEU B 126 24.140 -24.573 -21.431 1.00 0.00 C ATOM 1015 CG LEU B 126 22.632 -24.561 -21.178 1.00 0.00 C ATOM 1016 CD1 LEU B 126 22.173 -25.899 -20.621 1.00 0.00 C ATOM 1017 CD2 LEU B 126 22.260 -23.430 -20.229 1.00 0.00 C ATOM 0 H LEU B 126 25.063 -22.765 -20.031 1.00 0.00 H new ATOM 0 HA LEU B 126 24.442 -25.399 -19.471 1.00 0.00 H new ATOM 0 HB2 LEU B 126 24.426 -23.607 -21.847 1.00 0.00 H new ATOM 0 HB3 LEU B 126 24.354 -25.324 -22.192 1.00 0.00 H new ATOM 0 HG LEU B 126 22.125 -24.394 -22.128 1.00 0.00 H new ATOM 0 HD11 LEU B 126 21.097 -25.871 -20.447 1.00 0.00 H new ATOM 0 HD12 LEU B 126 22.405 -26.689 -21.335 1.00 0.00 H new ATOM 0 HD13 LEU B 126 22.687 -26.097 -19.681 1.00 0.00 H new ATOM 0 HD21 LEU B 126 21.183 -23.436 -20.060 1.00 0.00 H new ATOM 0 HD22 LEU B 126 22.777 -23.567 -19.279 1.00 0.00 H new ATOM 0 HD23 LEU B 126 22.553 -22.476 -20.667 1.00 0.00 H new ATOM 1029 N ILE B 127 27.057 -25.174 -21.496 1.00 0.00 N ATOM 1030 CA ILE B 127 28.235 -25.892 -21.965 1.00 0.00 C ATOM 1031 C ILE B 127 29.115 -26.326 -20.798 1.00 0.00 C ATOM 1032 O ILE B 127 29.504 -27.490 -20.699 1.00 0.00 O ATOM 1033 CB ILE B 127 29.071 -25.032 -22.932 1.00 0.00 C ATOM 1034 CG1 ILE B 127 28.619 -25.262 -24.375 1.00 0.00 C ATOM 1035 CG2 ILE B 127 30.551 -25.347 -22.777 1.00 0.00 C ATOM 1036 CD1 ILE B 127 28.325 -23.984 -25.128 1.00 0.00 C ATOM 0 H ILE B 127 26.947 -24.240 -21.892 1.00 0.00 H new ATOM 0 HA ILE B 127 27.876 -26.775 -22.494 1.00 0.00 H new ATOM 0 HB ILE B 127 28.916 -23.981 -22.687 1.00 0.00 H new ATOM 0 HG12 ILE B 127 29.393 -25.817 -24.905 1.00 0.00 H new ATOM 0 HG13 ILE B 127 27.725 -25.886 -24.372 1.00 0.00 H new ATOM 0 HG21 ILE B 127 31.128 -24.731 -23.467 1.00 0.00 H new ATOM 0 HG22 ILE B 127 30.863 -25.136 -21.754 1.00 0.00 H new ATOM 0 HG23 ILE B 127 30.724 -26.400 -22.999 1.00 0.00 H new ATOM 0 HD11 ILE B 127 28.010 -24.224 -26.144 1.00 0.00 H new ATOM 0 HD12 ILE B 127 27.529 -23.438 -24.621 1.00 0.00 H new ATOM 0 HD13 ILE B 127 29.223 -23.367 -25.163 1.00 0.00 H new ATOM 1048 N HIS B 128 29.425 -25.382 -19.915 1.00 0.00 N ATOM 1049 CA HIS B 128 30.258 -25.667 -18.752 1.00 0.00 C ATOM 1050 C HIS B 128 29.774 -26.923 -18.032 1.00 0.00 C ATOM 1051 O HIS B 128 30.572 -27.678 -17.476 1.00 0.00 O ATOM 1052 CB HIS B 128 30.250 -24.479 -17.789 1.00 0.00 C ATOM 1053 CG HIS B 128 30.931 -24.761 -16.485 1.00 0.00 C ATOM 1054 ND1 HIS B 128 30.383 -24.429 -15.264 1.00 0.00 N ATOM 1055 CD2 HIS B 128 32.120 -25.349 -16.215 1.00 0.00 C ATOM 1056 CE1 HIS B 128 31.207 -24.799 -14.299 1.00 0.00 C ATOM 1057 NE2 HIS B 128 32.268 -25.360 -14.850 1.00 0.00 N ATOM 0 H HIS B 128 29.112 -24.414 -19.983 1.00 0.00 H new ATOM 0 HA HIS B 128 31.277 -25.837 -19.099 1.00 0.00 H new ATOM 0 HB2 HIS B 128 30.738 -23.630 -18.268 1.00 0.00 H new ATOM 0 HB3 HIS B 128 29.218 -24.186 -17.595 1.00 0.00 H new ATOM 0 HD2 HIS B 128 32.822 -25.737 -16.939 1.00 0.00 H new ATOM 0 HE1 HIS B 128 31.041 -24.665 -13.240 1.00 0.00 H new ATOM 0 HE2 HIS B 128 33.068 -25.740 -14.344 1.00 0.00 H new ATOM 1065 N PHE B 129 28.463 -27.140 -18.047 1.00 0.00 N ATOM 1066 CA PHE B 129 27.873 -28.303 -17.394 1.00 0.00 C ATOM 1067 C PHE B 129 27.640 -29.429 -18.397 1.00 0.00 C ATOM 1068 O PHE B 129 27.525 -30.595 -18.021 1.00 0.00 O ATOM 1069 CB PHE B 129 26.553 -27.922 -16.722 1.00 0.00 C ATOM 1070 CG PHE B 129 26.730 -27.263 -15.384 1.00 0.00 C ATOM 1071 CD1 PHE B 129 27.319 -27.947 -14.332 1.00 0.00 C ATOM 1072 CD2 PHE B 129 26.308 -25.959 -15.178 1.00 0.00 C ATOM 1073 CE1 PHE B 129 27.482 -27.343 -13.100 1.00 0.00 C ATOM 1074 CE2 PHE B 129 26.469 -25.350 -13.947 1.00 0.00 C ATOM 1075 CZ PHE B 129 27.058 -26.042 -12.908 1.00 0.00 C ATOM 0 H PHE B 129 27.789 -26.526 -18.504 1.00 0.00 H new ATOM 0 HA PHE B 129 28.571 -28.655 -16.634 1.00 0.00 H new ATOM 0 HB2 PHE B 129 26.001 -27.250 -17.379 1.00 0.00 H new ATOM 0 HB3 PHE B 129 25.945 -28.818 -16.599 1.00 0.00 H new ATOM 0 HD1 PHE B 129 27.654 -28.963 -14.477 1.00 0.00 H new ATOM 0 HD2 PHE B 129 25.848 -25.412 -15.988 1.00 0.00 H new ATOM 0 HE1 PHE B 129 27.940 -27.887 -12.288 1.00 0.00 H new ATOM 0 HE2 PHE B 129 26.134 -24.334 -13.799 1.00 0.00 H new ATOM 0 HZ PHE B 129 27.187 -25.567 -11.947 1.00 0.00 H new ATOM 1085 N GLU B 130 27.571 -29.070 -19.675 1.00 0.00 N ATOM 1086 CA GLU B 130 27.349 -30.050 -20.732 1.00 0.00 C ATOM 1087 C GLU B 130 28.585 -30.923 -20.932 1.00 0.00 C ATOM 1088 O GLU B 130 28.581 -31.846 -21.745 1.00 0.00 O ATOM 1089 CB GLU B 130 26.991 -29.347 -22.043 1.00 0.00 C ATOM 1090 CG GLU B 130 28.144 -29.273 -23.029 1.00 0.00 C ATOM 1091 CD GLU B 130 27.799 -28.475 -24.271 1.00 0.00 C ATOM 1092 OE1 GLU B 130 26.603 -28.181 -24.475 1.00 0.00 O ATOM 1093 OE2 GLU B 130 28.727 -28.144 -25.040 1.00 0.00 O ATOM 0 H GLU B 130 27.665 -28.109 -20.003 1.00 0.00 H new ATOM 0 HA GLU B 130 26.518 -30.689 -20.432 1.00 0.00 H new ATOM 0 HB2 GLU B 130 26.157 -29.871 -22.511 1.00 0.00 H new ATOM 0 HB3 GLU B 130 26.648 -28.336 -21.822 1.00 0.00 H new ATOM 0 HG2 GLU B 130 29.007 -28.822 -22.540 1.00 0.00 H new ATOM 0 HG3 GLU B 130 28.434 -30.283 -23.319 1.00 0.00 H new ATOM 1100 N GLY B 131 29.642 -30.623 -20.183 1.00 0.00 N ATOM 1101 CA GLY B 131 30.870 -31.388 -20.293 1.00 0.00 C ATOM 1102 C GLY B 131 32.076 -30.512 -20.569 1.00 0.00 C ATOM 1103 O GLY B 131 32.897 -30.829 -21.430 1.00 0.00 O ATOM 0 H GLY B 131 29.669 -29.864 -19.502 1.00 0.00 H new ATOM 0 HA2 GLY B 131 31.032 -31.944 -19.369 1.00 0.00 H new ATOM 0 HA3 GLY B 131 30.767 -32.122 -21.093 1.00 0.00 H new ATOM 1107 N TRP B 132 32.183 -29.408 -19.840 1.00 0.00 N ATOM 1108 CA TRP B 132 33.297 -28.483 -20.013 1.00 0.00 C ATOM 1109 C TRP B 132 33.971 -28.187 -18.677 1.00 0.00 C ATOM 1110 O TRP B 132 34.695 -27.201 -18.542 1.00 0.00 O ATOM 1111 CB TRP B 132 32.811 -27.181 -20.652 1.00 0.00 C ATOM 1112 CG TRP B 132 33.528 -26.839 -21.922 1.00 0.00 C ATOM 1113 CD1 TRP B 132 34.386 -25.796 -22.124 1.00 0.00 C ATOM 1114 CD2 TRP B 132 33.447 -27.541 -23.168 1.00 0.00 C ATOM 1115 NE1 TRP B 132 34.844 -25.808 -23.420 1.00 0.00 N ATOM 1116 CE2 TRP B 132 34.284 -26.869 -24.080 1.00 0.00 C ATOM 1117 CE3 TRP B 132 32.752 -28.674 -23.600 1.00 0.00 C ATOM 1118 CZ2 TRP B 132 34.440 -27.292 -25.397 1.00 0.00 C ATOM 1119 CZ3 TRP B 132 32.908 -29.092 -24.907 1.00 0.00 C ATOM 1120 CH2 TRP B 132 33.747 -28.404 -25.794 1.00 0.00 C ATOM 0 H TRP B 132 31.512 -29.131 -19.123 1.00 0.00 H new ATOM 0 HA TRP B 132 34.028 -28.952 -20.672 1.00 0.00 H new ATOM 0 HB2 TRP B 132 31.743 -27.261 -20.856 1.00 0.00 H new ATOM 0 HB3 TRP B 132 32.939 -26.366 -19.940 1.00 0.00 H new ATOM 0 HD1 TRP B 132 34.664 -25.069 -21.376 1.00 0.00 H new ATOM 0 HE1 TRP B 132 35.495 -25.135 -23.825 1.00 0.00 H new ATOM 0 HE3 TRP B 132 32.105 -29.213 -22.924 1.00 0.00 H new ATOM 0 HZ2 TRP B 132 35.085 -26.762 -26.082 1.00 0.00 H new ATOM 0 HZ3 TRP B 132 32.374 -29.965 -25.252 1.00 0.00 H new ATOM 0 HH2 TRP B 132 33.849 -28.758 -26.809 1.00 0.00 H new ATOM 1131 N ARG B 133 33.729 -29.048 -17.694 1.00 0.00 N ATOM 1132 CA ARG B 133 34.312 -28.877 -16.369 1.00 0.00 C ATOM 1133 C ARG B 133 35.325 -29.981 -16.075 1.00 0.00 C ATOM 1134 O ARG B 133 35.411 -30.473 -14.949 1.00 0.00 O ATOM 1135 CB ARG B 133 33.217 -28.878 -15.302 1.00 0.00 C ATOM 1136 CG ARG B 133 32.318 -30.103 -15.352 1.00 0.00 C ATOM 1137 CD ARG B 133 32.502 -30.980 -14.123 1.00 0.00 C ATOM 1138 NE ARG B 133 31.312 -31.777 -13.836 1.00 0.00 N ATOM 1139 CZ ARG B 133 30.215 -31.283 -13.273 1.00 0.00 C ATOM 1140 NH1 ARG B 133 30.157 -30.002 -12.938 1.00 0.00 N ATOM 1141 NH2 ARG B 133 29.173 -32.072 -13.044 1.00 0.00 N ATOM 0 H ARG B 133 33.134 -29.871 -17.790 1.00 0.00 H new ATOM 0 HA ARG B 133 34.829 -27.917 -16.348 1.00 0.00 H new ATOM 0 HB2 ARG B 133 33.681 -28.818 -14.317 1.00 0.00 H new ATOM 0 HB3 ARG B 133 32.605 -27.984 -15.421 1.00 0.00 H new ATOM 0 HG2 ARG B 133 31.277 -29.789 -15.423 1.00 0.00 H new ATOM 0 HG3 ARG B 133 32.539 -30.681 -16.249 1.00 0.00 H new ATOM 0 HD2 ARG B 133 33.354 -31.643 -14.275 1.00 0.00 H new ATOM 0 HD3 ARG B 133 32.735 -30.353 -13.262 1.00 0.00 H new ATOM 0 HE ARG B 133 31.324 -32.767 -14.081 1.00 0.00 H new ATOM 0 HH11 ARG B 133 30.956 -29.393 -13.112 1.00 0.00 H new ATOM 0 HH12 ARG B 133 29.313 -29.626 -12.506 1.00 0.00 H new ATOM 0 HH21 ARG B 133 29.214 -33.058 -13.300 1.00 0.00 H new ATOM 0 HH22 ARG B 133 28.331 -31.692 -12.612 1.00 0.00 H new ATOM 1155 N ILE B 134 36.087 -30.364 -17.093 1.00 0.00 N ATOM 1156 CA ILE B 134 37.093 -31.408 -16.943 1.00 0.00 C ATOM 1157 C ILE B 134 38.129 -31.027 -15.891 1.00 0.00 C ATOM 1158 O ILE B 134 38.612 -29.895 -15.861 1.00 0.00 O ATOM 1159 CB ILE B 134 37.812 -31.692 -18.275 1.00 0.00 C ATOM 1160 CG1 ILE B 134 36.800 -32.090 -19.352 1.00 0.00 C ATOM 1161 CG2 ILE B 134 38.854 -32.785 -18.091 1.00 0.00 C ATOM 1162 CD1 ILE B 134 37.353 -32.019 -20.757 1.00 0.00 C ATOM 0 H ILE B 134 36.027 -29.967 -18.031 1.00 0.00 H new ATOM 0 HA ILE B 134 36.568 -32.308 -16.623 1.00 0.00 H new ATOM 0 HB ILE B 134 38.319 -30.783 -18.598 1.00 0.00 H new ATOM 0 HG12 ILE B 134 36.455 -33.105 -19.157 1.00 0.00 H new ATOM 0 HG13 ILE B 134 35.929 -31.438 -19.280 1.00 0.00 H new ATOM 0 HG21 ILE B 134 39.354 -32.975 -19.041 1.00 0.00 H new ATOM 0 HG22 ILE B 134 39.589 -32.466 -17.352 1.00 0.00 H new ATOM 0 HG23 ILE B 134 38.367 -33.698 -17.749 1.00 0.00 H new ATOM 0 HD11 ILE B 134 36.581 -32.315 -21.467 1.00 0.00 H new ATOM 0 HD12 ILE B 134 37.672 -30.999 -20.971 1.00 0.00 H new ATOM 0 HD13 ILE B 134 38.206 -32.692 -20.847 1.00 0.00 H new TER 1174 ILE B 134