USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 697 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 62 ASN : amide:sc= -0.0806 K(o=-0.081,f=-1.7!) USER MOD Set 1.2: A 86 HIS : no HD1:sc= 0 X(o=-0.081,f=-0.19) USER MOD Set 2.1: A 71 HIS : no HE2:sc= 0.75 K(o=1.9,f=-2) USER MOD Set 2.2: B 13 SER OG : rot 76:sc= 1.11 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0.471 K(o=0.47,f=-5.1!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : 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= 0 USER MOD Single : A 27 ASN : amide:sc= -0.453 K(o=-0.45,f=-1.5) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 90:sc= 0.568 USER MOD Single : A 32 HIS : no HD1:sc= 0.049 K(o=0.049,f=-4.4!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0224 X(o=-0.022,f=-0.022) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= -0.0296 (180deg=-0.226) USER MOD Single : A 65 SER OG : rot -173:sc= 1.24 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0226 X(o=-0.023,f=-0.031) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.919 K(o=0.92,f=0) USER MOD Single : A 81 THR OG1 : rot -98:sc= 0.243 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 4 -12.500 7.444 -10.728 1.00 0.00 N ATOM 54 CA GLY A 4 -11.340 7.084 -9.974 1.00 0.00 C ATOM 55 C GLY A 4 -10.546 6.060 -10.709 1.00 0.00 C ATOM 56 O GLY A 4 -10.580 4.874 -10.384 1.00 0.00 O ATOM 0 HA2 GLY A 4 -10.728 7.967 -9.791 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.637 6.695 -9.000 1.00 0.00 H new ATOM 60 N ASP A 5 -9.810 6.471 -11.757 1.00 0.00 N ATOM 61 CA ASP A 5 -8.989 5.593 -12.534 1.00 0.00 C ATOM 62 C ASP A 5 -7.652 5.342 -11.927 1.00 0.00 C ATOM 63 O ASP A 5 -7.312 5.795 -10.834 1.00 0.00 O ATOM 64 CB ASP A 5 -8.867 6.166 -13.956 1.00 0.00 C ATOM 65 CG ASP A 5 -8.890 5.117 -15.057 1.00 0.00 C ATOM 66 OD1 ASP A 5 -8.175 4.083 -14.970 1.00 0.00 O ATOM 67 OD2 ASP A 5 -9.630 5.340 -16.052 1.00 0.00 O ATOM 0 H ASP A 5 -9.785 7.440 -12.073 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.471 4.616 -12.565 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.683 6.869 -14.123 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -7.938 6.732 -14.029 1.00 0.00 H new ATOM 72 N ILE A 6 -6.815 4.588 -12.661 1.00 0.00 N ATOM 73 CA ILE A 6 -5.476 4.214 -12.332 1.00 0.00 C ATOM 74 C ILE A 6 -4.522 5.327 -12.599 1.00 0.00 C ATOM 75 O ILE A 6 -4.691 6.106 -13.536 1.00 0.00 O ATOM 76 CB ILE A 6 -5.134 2.953 -13.070 1.00 0.00 C ATOM 77 CG1 ILE A 6 -5.889 1.771 -12.439 1.00 0.00 C ATOM 78 CG2 ILE A 6 -3.630 2.637 -13.139 1.00 0.00 C ATOM 79 CD1 ILE A 6 -6.283 0.713 -13.468 1.00 0.00 C ATOM 0 H ILE A 6 -7.103 4.208 -13.563 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.394 4.014 -11.264 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.446 3.114 -14.102 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.264 1.313 -11.672 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.785 2.141 -11.941 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.478 1.709 -13.690 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.110 3.450 -13.646 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.234 2.528 -12.129 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.813 -0.099 -12.970 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.931 1.161 -14.221 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.386 0.321 -13.948 1.00 0.00 H new ATOM 91 N PHE A 7 -3.494 5.467 -11.744 1.00 0.00 N ATOM 92 CA PHE A 7 -2.488 6.476 -11.870 1.00 0.00 C ATOM 93 C PHE A 7 -1.207 5.982 -11.290 1.00 0.00 C ATOM 94 O PHE A 7 -1.192 5.070 -10.466 1.00 0.00 O ATOM 95 CB PHE A 7 -2.926 7.841 -11.313 1.00 0.00 C ATOM 96 CG PHE A 7 -3.131 7.900 -9.838 1.00 0.00 C ATOM 97 CD1 PHE A 7 -4.177 7.250 -9.226 1.00 0.00 C ATOM 98 CD2 PHE A 7 -2.284 8.662 -9.068 1.00 0.00 C ATOM 99 CE1 PHE A 7 -4.363 7.336 -7.867 1.00 0.00 C ATOM 100 CE2 PHE A 7 -2.461 8.760 -7.708 1.00 0.00 C ATOM 101 CZ PHE A 7 -3.497 8.085 -7.106 1.00 0.00 C ATOM 0 H PHE A 7 -3.358 4.858 -10.938 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.325 6.665 -12.931 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.176 8.583 -11.587 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.855 8.132 -11.803 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.862 6.664 -9.821 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.468 9.191 -9.538 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.186 6.817 -7.399 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.790 9.364 -7.115 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.630 8.143 -6.036 1.00 0.00 H new ATOM 111 N GLU A 8 -0.070 6.549 -11.731 1.00 0.00 N ATOM 112 CA GLU A 8 1.238 6.128 -11.335 1.00 0.00 C ATOM 113 C GLU A 8 2.054 7.284 -10.865 1.00 0.00 C ATOM 114 O GLU A 8 2.280 8.259 -11.579 1.00 0.00 O ATOM 115 CB GLU A 8 1.898 5.312 -12.459 1.00 0.00 C ATOM 116 CG GLU A 8 2.021 6.014 -13.813 1.00 0.00 C ATOM 117 CD GLU A 8 2.349 5.033 -14.929 1.00 0.00 C ATOM 118 OE1 GLU A 8 3.547 4.678 -15.093 1.00 0.00 O ATOM 119 OE2 GLU A 8 1.417 4.643 -15.682 1.00 0.00 O ATOM 0 H GLU A 8 -0.061 7.329 -12.388 1.00 0.00 H new ATOM 0 HA GLU A 8 1.161 5.460 -10.477 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.896 5.020 -12.131 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.327 4.394 -12.598 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.087 6.527 -14.043 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.799 6.776 -13.758 1.00 0.00 H new ATOM 126 N VAL A 9 2.447 7.256 -9.580 1.00 0.00 N ATOM 127 CA VAL A 9 3.212 8.280 -8.938 1.00 0.00 C ATOM 128 C VAL A 9 4.628 7.876 -8.710 1.00 0.00 C ATOM 129 O VAL A 9 4.886 6.825 -8.126 1.00 0.00 O ATOM 130 CB VAL A 9 2.589 8.724 -7.647 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.290 9.977 -7.096 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.105 9.059 -7.874 1.00 0.00 C ATOM 0 H VAL A 9 2.220 6.481 -8.957 1.00 0.00 H new ATOM 0 HA VAL A 9 3.212 9.124 -9.627 1.00 0.00 H new ATOM 0 HB VAL A 9 2.693 7.910 -6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.818 10.276 -6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.342 9.756 -6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.207 10.788 -7.820 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.657 9.381 -6.934 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.021 9.860 -8.609 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.584 8.174 -8.240 1.00 0.00 H new ATOM 142 N GLU A 10 5.595 8.735 -9.078 1.00 0.00 N ATOM 143 CA GLU A 10 6.988 8.592 -8.788 1.00 0.00 C ATOM 144 C GLU A 10 7.409 9.643 -7.819 1.00 0.00 C ATOM 145 O GLU A 10 7.328 10.837 -8.103 1.00 0.00 O ATOM 146 CB GLU A 10 7.813 8.773 -10.072 1.00 0.00 C ATOM 147 CG GLU A 10 9.326 8.603 -9.917 1.00 0.00 C ATOM 148 CD GLU A 10 10.117 9.064 -11.134 1.00 0.00 C ATOM 149 OE1 GLU A 10 9.526 9.460 -12.174 1.00 0.00 O ATOM 150 OE2 GLU A 10 11.374 9.062 -11.041 1.00 0.00 O ATOM 0 H GLU A 10 5.391 9.581 -9.610 1.00 0.00 H new ATOM 0 HA GLU A 10 7.155 7.599 -8.371 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.459 8.057 -10.813 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.617 9.768 -10.471 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.659 9.164 -9.043 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.548 7.553 -9.726 1.00 0.00 H new ATOM 157 N LEU A 11 7.873 9.238 -6.623 1.00 0.00 N ATOM 158 CA LEU A 11 8.377 10.097 -5.596 1.00 0.00 C ATOM 159 C LEU A 11 9.639 9.518 -5.054 1.00 0.00 C ATOM 160 O LEU A 11 9.959 8.359 -5.312 1.00 0.00 O ATOM 161 CB LEU A 11 7.301 10.258 -4.509 1.00 0.00 C ATOM 162 CG LEU A 11 7.521 11.335 -3.434 1.00 0.00 C ATOM 163 CD1 LEU A 11 7.622 12.752 -4.026 1.00 0.00 C ATOM 164 CD2 LEU A 11 6.379 11.290 -2.404 1.00 0.00 C ATOM 0 H LEU A 11 7.898 8.253 -6.358 1.00 0.00 H new ATOM 0 HA LEU A 11 8.607 11.087 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.353 10.469 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.190 9.299 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 11 8.473 11.113 -2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.777 13.472 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.461 12.797 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.700 12.992 -4.555 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.542 12.056 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.429 11.473 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.356 10.309 -1.929 1.00 0.00 H new ATOM 176 N ALA A 12 10.430 10.271 -4.270 1.00 0.00 N ATOM 177 CA ALA A 12 11.551 9.742 -3.554 1.00 0.00 C ATOM 178 C ALA A 12 11.545 10.205 -2.138 1.00 0.00 C ATOM 179 O ALA A 12 11.010 11.268 -1.822 1.00 0.00 O ATOM 180 CB ALA A 12 12.867 10.153 -4.236 1.00 0.00 C ATOM 0 H ALA A 12 10.288 11.271 -4.130 1.00 0.00 H new ATOM 0 HA ALA A 12 11.472 8.655 -3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.709 9.743 -3.679 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.884 9.768 -5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.942 11.240 -4.258 1.00 0.00 H new ATOM 186 N LYS A 13 12.173 9.435 -1.233 1.00 0.00 N ATOM 187 CA LYS A 13 12.276 9.675 0.173 1.00 0.00 C ATOM 188 C LYS A 13 12.889 10.983 0.539 1.00 0.00 C ATOM 189 O LYS A 13 13.931 11.379 0.020 1.00 0.00 O ATOM 190 CB LYS A 13 13.064 8.521 0.815 1.00 0.00 C ATOM 191 CG LYS A 13 13.229 8.611 2.334 1.00 0.00 C ATOM 192 CD LYS A 13 13.649 7.271 2.940 1.00 0.00 C ATOM 193 CE LYS A 13 13.858 7.320 4.454 1.00 0.00 C ATOM 194 NZ LYS A 13 15.193 7.873 4.780 1.00 0.00 N ATOM 0 H LYS A 13 12.647 8.575 -1.508 1.00 0.00 H new ATOM 0 HA LYS A 13 11.257 9.723 0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.564 7.583 0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.054 8.480 0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.975 9.368 2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.290 8.935 2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.889 6.524 2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.573 6.941 2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.083 7.933 4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.762 6.318 4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.316 7.898 5.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.930 7.272 4.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.272 8.837 4.399 1.00 0.00 H new ATOM 208 N ASN A 14 12.222 11.745 1.424 1.00 0.00 N ATOM 209 CA ASN A 14 12.607 13.057 1.842 1.00 0.00 C ATOM 210 C ASN A 14 12.802 13.095 3.318 1.00 0.00 C ATOM 211 O ASN A 14 13.847 12.702 3.833 1.00 0.00 O ATOM 212 CB ASN A 14 11.624 14.110 1.301 1.00 0.00 C ATOM 213 CG ASN A 14 10.165 13.684 1.381 1.00 0.00 C ATOM 214 OD1 ASN A 14 9.546 13.755 2.440 1.00 0.00 O ATOM 215 ND2 ASN A 14 9.599 13.186 0.250 1.00 0.00 N ATOM 0 H ASN A 14 11.364 11.426 1.874 1.00 0.00 H new ATOM 0 HA ASN A 14 13.574 13.315 1.410 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.754 15.036 1.860 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.873 14.327 0.262 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.633 12.858 0.265 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.140 13.141 -0.614 1.00 0.00 H new ATOM 222 N ASP A 15 11.792 13.551 4.082 1.00 0.00 N ATOM 223 CA ASP A 15 11.705 13.462 5.506 1.00 0.00 C ATOM 224 C ASP A 15 11.596 12.030 5.903 1.00 0.00 C ATOM 225 O ASP A 15 12.402 11.489 6.659 1.00 0.00 O ATOM 226 CB ASP A 15 10.441 14.193 5.988 1.00 0.00 C ATOM 227 CG ASP A 15 10.638 15.680 6.250 1.00 0.00 C ATOM 228 OD1 ASP A 15 11.772 16.214 6.128 1.00 0.00 O ATOM 229 OD2 ASP A 15 9.625 16.335 6.614 1.00 0.00 O ATOM 0 H ASP A 15 10.980 14.014 3.674 1.00 0.00 H new ATOM 0 HA ASP A 15 12.593 13.913 5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.657 14.068 5.241 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.088 13.718 6.904 1.00 0.00 H new ATOM 234 N ASN A 16 10.551 11.363 5.384 1.00 0.00 N ATOM 235 CA ASN A 16 10.295 9.969 5.574 1.00 0.00 C ATOM 236 C ASN A 16 9.881 9.422 4.250 1.00 0.00 C ATOM 237 O ASN A 16 9.843 10.146 3.257 1.00 0.00 O ATOM 238 CB ASN A 16 9.191 9.756 6.623 1.00 0.00 C ATOM 239 CG ASN A 16 9.692 10.137 8.008 1.00 0.00 C ATOM 240 OD1 ASN A 16 10.526 9.455 8.603 1.00 0.00 O ATOM 241 ND2 ASN A 16 9.175 11.262 8.573 1.00 0.00 N ATOM 0 H ASN A 16 9.848 11.819 4.802 1.00 0.00 H new ATOM 0 HA ASN A 16 11.184 9.458 5.943 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.318 10.356 6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.873 8.713 6.619 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.478 11.551 9.503 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.485 11.816 8.066 1.00 0.00 H new ATOM 248 N SER A 17 9.576 8.114 4.174 1.00 0.00 N ATOM 249 CA SER A 17 9.098 7.470 2.991 1.00 0.00 C ATOM 250 C SER A 17 7.624 7.621 2.841 1.00 0.00 C ATOM 251 O SER A 17 7.182 8.477 2.076 1.00 0.00 O ATOM 252 CB SER A 17 9.548 6.006 2.850 1.00 0.00 C ATOM 253 OG SER A 17 9.336 5.239 4.027 1.00 0.00 O ATOM 0 H SER A 17 9.666 7.481 4.968 1.00 0.00 H new ATOM 0 HA SER A 17 9.572 7.993 2.160 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.009 5.545 2.022 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.607 5.981 2.594 1.00 0.00 H new ATOM 0 HG SER A 17 9.639 4.319 3.877 1.00 0.00 H new ATOM 259 N LEU A 18 6.787 6.822 3.527 1.00 0.00 N ATOM 260 CA LEU A 18 5.366 6.919 3.394 1.00 0.00 C ATOM 261 C LEU A 18 4.713 7.614 4.539 1.00 0.00 C ATOM 262 O LEU A 18 4.533 8.831 4.518 1.00 0.00 O ATOM 263 CB LEU A 18 4.772 5.536 3.078 1.00 0.00 C ATOM 264 CG LEU A 18 5.182 5.038 1.682 1.00 0.00 C ATOM 265 CD1 LEU A 18 4.958 3.525 1.518 1.00 0.00 C ATOM 266 CD2 LEU A 18 4.448 5.786 0.557 1.00 0.00 C ATOM 0 H LEU A 18 7.098 6.102 4.180 1.00 0.00 H new ATOM 0 HA LEU A 18 5.147 7.567 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.102 4.819 3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.685 5.586 3.140 1.00 0.00 H new ATOM 0 HG LEU A 18 6.249 5.246 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.261 3.219 0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.551 2.987 2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.902 3.296 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.772 5.398 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.373 5.641 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.678 6.850 0.617 1.00 0.00 H new ATOM 278 N GLY A 19 4.299 6.876 5.585 1.00 0.00 N ATOM 279 CA GLY A 19 3.543 7.404 6.677 1.00 0.00 C ATOM 280 C GLY A 19 2.074 7.347 6.436 1.00 0.00 C ATOM 281 O GLY A 19 1.376 8.358 6.499 1.00 0.00 O ATOM 0 H GLY A 19 4.497 5.879 5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.781 6.846 7.583 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.839 8.438 6.853 1.00 0.00 H new ATOM 285 N ILE A 20 1.537 6.146 6.158 1.00 0.00 N ATOM 286 CA ILE A 20 0.141 5.932 5.929 1.00 0.00 C ATOM 287 C ILE A 20 -0.226 4.657 6.607 1.00 0.00 C ATOM 288 O ILE A 20 0.639 3.953 7.126 1.00 0.00 O ATOM 289 CB ILE A 20 -0.171 6.003 4.463 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.658 6.213 4.129 1.00 0.00 C ATOM 291 CG2 ILE A 20 0.425 4.805 3.705 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.878 6.684 2.692 1.00 0.00 C ATOM 0 H ILE A 20 2.093 5.294 6.090 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.480 6.717 6.360 1.00 0.00 H new ATOM 0 HB ILE A 20 0.318 6.912 4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.197 5.279 4.288 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.081 6.946 4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.181 4.887 2.646 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.508 4.799 3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.009 3.879 4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.945 6.816 2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.364 7.633 2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.482 5.940 2.001 1.00 0.00 H new ATOM 304 N SER A 21 -1.515 4.287 6.701 1.00 0.00 N ATOM 305 CA SER A 21 -1.941 3.081 7.343 1.00 0.00 C ATOM 306 C SER A 21 -2.735 2.257 6.389 1.00 0.00 C ATOM 307 O SER A 21 -3.421 2.774 5.507 1.00 0.00 O ATOM 308 CB SER A 21 -2.753 3.391 8.610 1.00 0.00 C ATOM 309 OG SER A 21 -3.020 2.228 9.382 1.00 0.00 O ATOM 0 H SER A 21 -2.283 4.841 6.321 1.00 0.00 H new ATOM 0 HA SER A 21 -1.061 2.515 7.648 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.208 4.111 9.220 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.695 3.861 8.328 1.00 0.00 H new ATOM 0 HG SER A 21 -3.537 2.475 10.177 1.00 0.00 H new ATOM 315 N VAL A 22 -2.670 0.921 6.531 1.00 0.00 N ATOM 316 CA VAL A 22 -3.152 -0.038 5.586 1.00 0.00 C ATOM 317 C VAL A 22 -4.146 -0.922 6.257 1.00 0.00 C ATOM 318 O VAL A 22 -4.150 -1.066 7.479 1.00 0.00 O ATOM 319 CB VAL A 22 -1.981 -0.792 5.031 1.00 0.00 C ATOM 320 CG1 VAL A 22 -2.318 -2.140 4.371 1.00 0.00 C ATOM 321 CG2 VAL A 22 -1.288 0.105 3.990 1.00 0.00 C ATOM 0 H VAL A 22 -2.256 0.485 7.355 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.661 0.442 4.750 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.345 -1.034 5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.403 -2.604 4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.788 -2.796 5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.002 -1.976 3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.431 -0.421 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.991 0.348 3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.951 1.024 4.469 1.00 0.00 H new ATOM 331 N THR A 23 -5.053 -1.567 5.503 1.00 0.00 N ATOM 332 CA THR A 23 -5.912 -2.590 6.015 1.00 0.00 C ATOM 333 C THR A 23 -6.001 -3.697 5.022 1.00 0.00 C ATOM 334 O THR A 23 -5.820 -3.508 3.820 1.00 0.00 O ATOM 335 CB THR A 23 -7.281 -2.095 6.380 1.00 0.00 C ATOM 336 OG1 THR A 23 -8.091 -3.098 6.975 1.00 0.00 O ATOM 337 CG2 THR A 23 -8.043 -1.528 5.171 1.00 0.00 C ATOM 0 H THR A 23 -5.193 -1.373 4.512 1.00 0.00 H new ATOM 0 HA THR A 23 -5.470 -2.949 6.944 1.00 0.00 H new ATOM 0 HB THR A 23 -7.098 -1.302 7.105 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.969 -2.722 7.194 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.027 -1.184 5.490 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.485 -0.692 4.749 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.158 -2.306 4.416 1.00 0.00 H new ATOM 345 N GLY A 24 -6.263 -4.916 5.525 1.00 0.00 N ATOM 346 CA GLY A 24 -6.467 -6.124 4.787 1.00 0.00 C ATOM 347 C GLY A 24 -5.292 -6.637 4.026 1.00 0.00 C ATOM 348 O GLY A 24 -4.171 -6.687 4.531 1.00 0.00 O ATOM 0 H GLY A 24 -6.338 -5.068 6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.790 -6.899 5.482 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.286 -5.963 4.086 1.00 0.00 H new ATOM 352 N GLY A 25 -5.541 -7.102 2.790 1.00 0.00 N ATOM 353 CA GLY A 25 -4.546 -7.615 1.900 1.00 0.00 C ATOM 354 C GLY A 25 -4.102 -9.009 2.181 1.00 0.00 C ATOM 355 O GLY A 25 -3.063 -9.442 1.687 1.00 0.00 O ATOM 0 H GLY A 25 -6.480 -7.121 2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.935 -7.573 0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.676 -6.959 1.936 1.00 0.00 H new ATOM 359 N VAL A 26 -4.840 -9.765 3.013 1.00 0.00 N ATOM 360 CA VAL A 26 -4.438 -11.035 3.532 1.00 0.00 C ATOM 361 C VAL A 26 -4.706 -12.172 2.607 1.00 0.00 C ATOM 362 O VAL A 26 -4.274 -12.180 1.455 1.00 0.00 O ATOM 363 CB VAL A 26 -4.957 -11.234 4.926 1.00 0.00 C ATOM 364 CG1 VAL A 26 -4.205 -10.270 5.858 1.00 0.00 C ATOM 365 CG2 VAL A 26 -6.468 -10.975 5.048 1.00 0.00 C ATOM 0 H VAL A 26 -5.762 -9.476 3.340 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.351 -11.025 3.606 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.791 -12.276 5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.565 -10.396 6.879 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.137 -10.486 5.821 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.378 -9.243 5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.783 -11.135 6.079 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.686 -9.947 4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.008 -11.659 4.393 1.00 0.00 H new ATOM 375 N ASN A 27 -5.412 -13.225 3.055 1.00 0.00 N ATOM 376 CA ASN A 27 -5.703 -14.397 2.288 1.00 0.00 C ATOM 377 C ASN A 27 -6.706 -14.112 1.223 1.00 0.00 C ATOM 378 O ASN A 27 -6.414 -14.235 0.035 1.00 0.00 O ATOM 379 CB ASN A 27 -6.084 -15.581 3.192 1.00 0.00 C ATOM 380 CG ASN A 27 -7.136 -15.230 4.233 1.00 0.00 C ATOM 381 OD1 ASN A 27 -8.336 -15.296 3.972 1.00 0.00 O ATOM 382 ND2 ASN A 27 -6.692 -14.811 5.448 1.00 0.00 N ATOM 0 H ASN A 27 -5.799 -13.261 3.998 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.794 -14.702 1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.455 -16.398 2.572 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.190 -15.945 3.698 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.360 -14.542 6.170 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.691 -14.766 5.637 1.00 0.00 H new ATOM 389 N THR A 28 -7.911 -13.638 1.584 1.00 0.00 N ATOM 390 CA THR A 28 -8.808 -13.009 0.665 1.00 0.00 C ATOM 391 C THR A 28 -9.230 -11.735 1.312 1.00 0.00 C ATOM 392 O THR A 28 -9.339 -11.640 2.533 1.00 0.00 O ATOM 393 CB THR A 28 -9.980 -13.849 0.249 1.00 0.00 C ATOM 394 OG1 THR A 28 -10.693 -13.253 -0.825 1.00 0.00 O ATOM 395 CG2 THR A 28 -10.978 -14.088 1.395 1.00 0.00 C ATOM 0 H THR A 28 -8.271 -13.693 2.537 1.00 0.00 H new ATOM 0 HA THR A 28 -8.292 -12.838 -0.280 1.00 0.00 H new ATOM 0 HB THR A 28 -9.552 -14.803 -0.059 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.449 -13.825 -1.073 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.804 -14.701 1.036 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.475 -14.601 2.215 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.363 -13.131 1.748 1.00 0.00 H new ATOM 403 N SER A 29 -9.409 -10.671 0.508 1.00 0.00 N ATOM 404 CA SER A 29 -9.619 -9.351 1.015 1.00 0.00 C ATOM 405 C SER A 29 -10.359 -8.590 -0.030 1.00 0.00 C ATOM 406 O SER A 29 -11.511 -8.898 -0.334 1.00 0.00 O ATOM 407 CB SER A 29 -8.268 -8.721 1.393 1.00 0.00 C ATOM 408 OG SER A 29 -8.366 -7.408 1.923 1.00 0.00 O ATOM 0 H SER A 29 -9.408 -10.729 -0.510 1.00 0.00 H new ATOM 0 HA SER A 29 -10.214 -9.348 1.928 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.774 -9.360 2.125 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.631 -8.697 0.509 1.00 0.00 H new ATOM 0 HG SER A 29 -8.466 -7.455 2.897 1.00 0.00 H new ATOM 414 N VAL A 30 -9.724 -7.588 -0.665 1.00 0.00 N ATOM 415 CA VAL A 30 -10.231 -6.887 -1.803 1.00 0.00 C ATOM 416 C VAL A 30 -10.324 -7.774 -2.997 1.00 0.00 C ATOM 417 O VAL A 30 -11.370 -7.846 -3.640 1.00 0.00 O ATOM 418 CB VAL A 30 -9.459 -5.619 -2.014 1.00 0.00 C ATOM 419 CG1 VAL A 30 -7.950 -5.839 -2.215 1.00 0.00 C ATOM 420 CG2 VAL A 30 -10.036 -4.799 -3.180 1.00 0.00 C ATOM 0 H VAL A 30 -8.809 -7.250 -0.368 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.261 -6.581 -1.617 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.572 -5.055 -1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.458 -4.877 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.533 -6.329 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.787 -6.467 -3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.454 -3.886 -3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.991 -5.388 -4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -11.073 -4.541 -2.965 1.00 0.00 H new ATOM 430 N ARG A 31 -9.258 -8.538 -3.291 1.00 0.00 N ATOM 431 CA ARG A 31 -9.257 -9.730 -4.081 1.00 0.00 C ATOM 432 C ARG A 31 -8.295 -10.669 -3.435 1.00 0.00 C ATOM 433 O ARG A 31 -8.101 -10.641 -2.221 1.00 0.00 O ATOM 434 CB ARG A 31 -8.878 -9.461 -5.547 1.00 0.00 C ATOM 435 CG ARG A 31 -9.982 -8.752 -6.334 1.00 0.00 C ATOM 436 CD ARG A 31 -9.686 -8.622 -7.830 1.00 0.00 C ATOM 437 NE ARG A 31 -10.901 -7.979 -8.403 1.00 0.00 N ATOM 438 CZ ARG A 31 -11.160 -7.832 -9.735 1.00 0.00 C ATOM 439 NH1 ARG A 31 -10.269 -8.159 -10.717 1.00 0.00 N ATOM 440 NH2 ARG A 31 -12.371 -7.312 -10.089 1.00 0.00 N ATOM 0 H ARG A 31 -8.326 -8.304 -2.950 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.259 -10.156 -4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.973 -8.854 -5.576 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.643 -10.407 -6.035 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.916 -9.298 -6.204 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.133 -7.757 -5.915 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.797 -8.016 -8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.503 -9.596 -8.283 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.595 -7.620 -7.748 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.354 -8.535 -10.470 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.519 -8.027 -11.697 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.044 -7.049 -9.369 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.604 -7.186 -11.074 1.00 0.00 H new ATOM 454 N HIS A 32 -7.612 -11.520 -4.220 1.00 0.00 N ATOM 455 CA HIS A 32 -6.541 -12.399 -3.864 1.00 0.00 C ATOM 456 C HIS A 32 -5.250 -11.672 -3.699 1.00 0.00 C ATOM 457 O HIS A 32 -4.225 -11.995 -4.297 1.00 0.00 O ATOM 458 CB HIS A 32 -6.394 -13.465 -4.961 1.00 0.00 C ATOM 459 CG HIS A 32 -6.287 -12.895 -6.345 1.00 0.00 C ATOM 460 ND1 HIS A 32 -7.426 -12.498 -7.016 1.00 0.00 N ATOM 461 CD2 HIS A 32 -5.187 -12.565 -7.074 1.00 0.00 C ATOM 462 CE1 HIS A 32 -7.004 -11.927 -8.129 1.00 0.00 C ATOM 463 NE2 HIS A 32 -5.647 -11.938 -8.213 1.00 0.00 N ATOM 0 H HIS A 32 -7.837 -11.599 -5.212 1.00 0.00 H new ATOM 0 HA HIS A 32 -6.781 -12.859 -2.905 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.508 -14.066 -4.755 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.251 -14.137 -4.920 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -4.157 -12.756 -6.812 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.655 -11.504 -8.879 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.080 -11.557 -8.970 1.00 0.00 H new ATOM 471 N GLY A 33 -5.257 -10.613 -2.871 1.00 0.00 N ATOM 472 CA GLY A 33 -4.222 -9.628 -2.803 1.00 0.00 C ATOM 473 C GLY A 33 -4.758 -8.337 -3.317 1.00 0.00 C ATOM 474 O GLY A 33 -5.911 -8.242 -3.736 1.00 0.00 O ATOM 0 H GLY A 33 -6.020 -10.435 -2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.878 -9.512 -1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.362 -9.942 -3.394 1.00 0.00 H new ATOM 478 N GLY A 34 -3.934 -7.275 -3.276 1.00 0.00 N ATOM 479 CA GLY A 34 -4.377 -5.924 -3.435 1.00 0.00 C ATOM 480 C GLY A 34 -4.476 -5.310 -2.081 1.00 0.00 C ATOM 481 O GLY A 34 -4.900 -5.960 -1.126 1.00 0.00 O ATOM 0 H GLY A 34 -2.928 -7.358 -3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.678 -5.365 -4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.344 -5.897 -3.938 1.00 0.00 H new ATOM 485 N ILE A 35 -4.045 -4.045 -1.933 1.00 0.00 N ATOM 486 CA ILE A 35 -3.833 -3.456 -0.647 1.00 0.00 C ATOM 487 C ILE A 35 -4.599 -2.177 -0.613 1.00 0.00 C ATOM 488 O ILE A 35 -4.679 -1.458 -1.607 1.00 0.00 O ATOM 489 CB ILE A 35 -2.373 -3.244 -0.380 1.00 0.00 C ATOM 490 CG1 ILE A 35 -1.492 -4.477 -0.645 1.00 0.00 C ATOM 491 CG2 ILE A 35 -2.141 -2.747 1.057 1.00 0.00 C ATOM 492 CD1 ILE A 35 -1.725 -5.673 0.277 1.00 0.00 C ATOM 0 H ILE A 35 -3.841 -3.423 -2.715 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.186 -4.120 0.142 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.066 -2.483 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.652 -4.799 -1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.447 -4.178 -0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.074 -2.601 1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.663 -1.802 1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.521 -3.485 1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.051 -6.483 -0.001 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.534 -5.379 1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.757 -6.011 0.181 1.00 0.00 H new ATOM 504 N TYR A 36 -5.235 -1.846 0.525 1.00 0.00 N ATOM 505 CA TYR A 36 -6.164 -0.763 0.623 1.00 0.00 C ATOM 506 C TYR A 36 -5.733 0.166 1.705 1.00 0.00 C ATOM 507 O TYR A 36 -5.246 -0.246 2.756 1.00 0.00 O ATOM 508 CB TYR A 36 -7.564 -1.314 0.943 1.00 0.00 C ATOM 509 CG TYR A 36 -8.608 -0.877 -0.026 1.00 0.00 C ATOM 510 CD1 TYR A 36 -8.864 0.457 -0.244 1.00 0.00 C ATOM 511 CD2 TYR A 36 -9.377 -1.812 -0.680 1.00 0.00 C ATOM 512 CE1 TYR A 36 -9.844 0.850 -1.124 1.00 0.00 C ATOM 513 CE2 TYR A 36 -10.373 -1.427 -1.546 1.00 0.00 C ATOM 514 CZ TYR A 36 -10.595 -0.092 -1.787 1.00 0.00 C ATOM 515 OH TYR A 36 -11.579 0.304 -2.716 1.00 0.00 O ATOM 0 H TYR A 36 -5.099 -2.347 1.403 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.195 -0.225 -0.324 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.523 -2.403 0.955 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.852 -0.994 1.945 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.288 1.204 0.282 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.196 -2.863 -0.511 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.025 1.901 -1.295 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.981 -2.173 -2.037 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.013 -0.490 -3.091 1.00 0.00 H new ATOM 525 N VAL A 37 -5.896 1.483 1.487 1.00 0.00 N ATOM 526 CA VAL A 37 -5.569 2.503 2.434 1.00 0.00 C ATOM 527 C VAL A 37 -6.606 2.637 3.494 1.00 0.00 C ATOM 528 O VAL A 37 -7.789 2.845 3.226 1.00 0.00 O ATOM 529 CB VAL A 37 -5.355 3.825 1.758 1.00 0.00 C ATOM 530 CG1 VAL A 37 -5.093 4.956 2.767 1.00 0.00 C ATOM 531 CG2 VAL A 37 -4.153 3.713 0.805 1.00 0.00 C ATOM 0 H VAL A 37 -6.272 1.853 0.614 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.638 2.196 2.911 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.265 4.071 1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.944 5.894 2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.948 5.052 3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.201 4.725 3.349 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.991 4.670 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.263 3.443 1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.352 2.946 0.056 1.00 0.00 H new ATOM 541 N LYS A 38 -6.178 2.551 4.765 1.00 0.00 N ATOM 542 CA LYS A 38 -6.999 2.689 5.928 1.00 0.00 C ATOM 543 C LYS A 38 -7.199 4.128 6.261 1.00 0.00 C ATOM 544 O LYS A 38 -8.331 4.612 6.266 1.00 0.00 O ATOM 545 CB LYS A 38 -6.355 1.908 7.085 1.00 0.00 C ATOM 546 CG LYS A 38 -7.105 1.867 8.418 1.00 0.00 C ATOM 547 CD LYS A 38 -6.485 0.820 9.345 1.00 0.00 C ATOM 548 CE LYS A 38 -7.083 0.734 10.750 1.00 0.00 C ATOM 549 NZ LYS A 38 -6.633 1.878 11.574 1.00 0.00 N ATOM 0 H LYS A 38 -5.200 2.375 4.995 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.989 2.273 5.740 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.204 0.881 6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.368 2.333 7.268 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.071 2.848 8.892 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.155 1.633 8.245 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.578 -0.157 8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.419 1.030 9.437 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.171 0.728 10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.785 -0.202 11.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.048 1.805 12.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.596 1.867 11.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.939 2.767 11.130 1.00 0.00 H new ATOM 563 N ALA A 39 -6.108 4.871 6.513 1.00 0.00 N ATOM 564 CA ALA A 39 -6.145 6.279 6.761 1.00 0.00 C ATOM 565 C ALA A 39 -4.759 6.827 6.765 1.00 0.00 C ATOM 566 O ALA A 39 -3.783 6.080 6.714 1.00 0.00 O ATOM 567 CB ALA A 39 -6.823 6.613 8.101 1.00 0.00 C ATOM 0 H ALA A 39 -5.167 4.479 6.545 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.732 6.734 5.963 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.828 7.693 8.247 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.848 6.243 8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.274 6.140 8.915 1.00 0.00 H new ATOM 573 N VAL A 40 -4.623 8.163 6.825 1.00 0.00 N ATOM 574 CA VAL A 40 -3.372 8.855 6.855 1.00 0.00 C ATOM 575 C VAL A 40 -2.850 9.020 8.241 1.00 0.00 C ATOM 576 O VAL A 40 -3.583 9.272 9.196 1.00 0.00 O ATOM 577 CB VAL A 40 -3.448 10.162 6.123 1.00 0.00 C ATOM 578 CG1 VAL A 40 -3.905 11.353 6.982 1.00 0.00 C ATOM 579 CG2 VAL A 40 -2.119 10.467 5.411 1.00 0.00 C ATOM 0 H VAL A 40 -5.425 8.792 6.854 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.651 8.231 6.327 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.235 10.033 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.930 12.255 6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.901 11.155 7.378 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.208 11.495 7.808 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.197 11.419 4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.317 10.523 6.147 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.900 9.675 4.694 1.00 0.00 H new ATOM 589 N ILE A 41 -1.530 8.851 8.430 1.00 0.00 N ATOM 590 CA ILE A 41 -0.842 9.263 9.615 1.00 0.00 C ATOM 591 C ILE A 41 -0.471 10.698 9.460 1.00 0.00 C ATOM 592 O ILE A 41 0.258 10.978 8.509 1.00 0.00 O ATOM 593 CB ILE A 41 0.354 8.401 9.891 1.00 0.00 C ATOM 594 CG1 ILE A 41 -0.005 6.905 9.919 1.00 0.00 C ATOM 595 CG2 ILE A 41 1.028 8.810 11.211 1.00 0.00 C ATOM 596 CD1 ILE A 41 -1.033 6.491 10.971 1.00 0.00 C ATOM 0 H ILE A 41 -0.922 8.414 7.737 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.496 9.147 10.480 1.00 0.00 H new ATOM 0 HB ILE A 41 1.055 8.557 9.071 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.383 6.622 8.937 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.908 6.334 10.085 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.893 8.172 11.391 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.351 9.849 11.148 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.319 8.700 12.031 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.212 5.418 10.903 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.655 6.733 11.964 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.967 7.026 10.798 1.00 0.00 H new ATOM 608 N PRO A 42 -0.841 11.669 10.241 1.00 0.00 N ATOM 609 CA PRO A 42 -0.459 13.037 10.039 1.00 0.00 C ATOM 610 C PRO A 42 0.920 13.345 10.515 1.00 0.00 C ATOM 611 O PRO A 42 1.195 14.459 10.955 1.00 0.00 O ATOM 612 CB PRO A 42 -1.516 13.825 10.807 1.00 0.00 C ATOM 613 CG PRO A 42 -1.880 12.901 11.981 1.00 0.00 C ATOM 614 CD PRO A 42 -1.814 11.519 11.311 1.00 0.00 C ATOM 0 HA PRO A 42 -0.421 13.291 8.980 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.127 14.781 11.156 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.384 14.042 10.185 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.176 12.991 12.808 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.871 13.116 12.381 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.506 10.750 12.020 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.788 11.222 10.921 1.00 0.00 H new ATOM 622 N GLN A 43 1.854 12.383 10.402 1.00 0.00 N ATOM 623 CA GLN A 43 3.228 12.491 10.782 1.00 0.00 C ATOM 624 C GLN A 43 3.984 11.717 9.756 1.00 0.00 C ATOM 625 O GLN A 43 4.498 10.625 9.993 1.00 0.00 O ATOM 626 CB GLN A 43 3.430 11.952 12.207 1.00 0.00 C ATOM 627 CG GLN A 43 4.681 12.450 12.934 1.00 0.00 C ATOM 628 CD GLN A 43 5.968 11.787 12.464 1.00 0.00 C ATOM 629 OE1 GLN A 43 6.767 12.362 11.728 1.00 0.00 O ATOM 630 NE2 GLN A 43 6.206 10.527 12.917 1.00 0.00 N ATOM 0 H GLN A 43 1.631 11.465 10.017 1.00 0.00 H new ATOM 0 HA GLN A 43 3.580 13.522 10.811 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.556 12.217 12.803 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.467 10.864 12.162 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.766 13.528 12.795 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.562 12.275 14.003 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.530 10.068 13.527 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.061 10.041 12.647 1.00 0.00 H new ATOM 639 N GLY A 44 4.009 12.243 8.519 1.00 0.00 N ATOM 640 CA GLY A 44 4.620 11.557 7.421 1.00 0.00 C ATOM 641 C GLY A 44 4.650 12.411 6.201 1.00 0.00 C ATOM 642 O GLY A 44 4.025 13.467 6.129 1.00 0.00 O ATOM 0 H GLY A 44 3.604 13.148 8.277 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.636 11.267 7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.071 10.639 7.212 1.00 0.00 H new ATOM 646 N ALA A 45 5.388 11.947 5.176 1.00 0.00 N ATOM 647 CA ALA A 45 5.529 12.594 3.908 1.00 0.00 C ATOM 648 C ALA A 45 4.290 12.602 3.081 1.00 0.00 C ATOM 649 O ALA A 45 4.075 13.538 2.311 1.00 0.00 O ATOM 650 CB ALA A 45 6.667 11.912 3.131 1.00 0.00 C ATOM 0 H ALA A 45 5.914 11.075 5.235 1.00 0.00 H new ATOM 0 HA ALA A 45 5.753 13.641 4.113 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.786 12.395 2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.595 11.998 3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.427 10.859 2.985 1.00 0.00 H new ATOM 656 N ALA A 46 3.411 11.592 3.213 1.00 0.00 N ATOM 657 CA ALA A 46 2.185 11.498 2.486 1.00 0.00 C ATOM 658 C ALA A 46 1.253 12.641 2.702 1.00 0.00 C ATOM 659 O ALA A 46 0.842 13.288 1.740 1.00 0.00 O ATOM 660 CB ALA A 46 1.487 10.157 2.772 1.00 0.00 C ATOM 0 H ALA A 46 3.561 10.811 3.851 1.00 0.00 H new ATOM 0 HA ALA A 46 2.462 11.547 1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.555 10.105 2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.139 9.336 2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.272 10.079 3.838 1.00 0.00 H new ATOM 666 N GLU A 47 0.928 12.979 3.962 1.00 0.00 N ATOM 667 CA GLU A 47 0.138 14.113 4.330 1.00 0.00 C ATOM 668 C GLU A 47 0.737 15.409 3.907 1.00 0.00 C ATOM 669 O GLU A 47 0.065 16.257 3.322 1.00 0.00 O ATOM 670 CB GLU A 47 -0.106 14.091 5.849 1.00 0.00 C ATOM 671 CG GLU A 47 -0.962 15.211 6.445 1.00 0.00 C ATOM 672 CD GLU A 47 -2.459 15.103 6.192 1.00 0.00 C ATOM 673 OE1 GLU A 47 -2.898 15.231 5.017 1.00 0.00 O ATOM 674 OE2 GLU A 47 -3.225 14.979 7.185 1.00 0.00 O ATOM 0 H GLU A 47 1.233 12.432 4.767 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.811 14.038 3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.575 13.140 6.100 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.864 14.109 6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.795 15.237 7.522 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.612 16.163 6.045 1.00 0.00 H new ATOM 681 N SER A 48 2.046 15.605 4.149 1.00 0.00 N ATOM 682 CA SER A 48 2.794 16.771 3.794 1.00 0.00 C ATOM 683 C SER A 48 2.842 17.070 2.335 1.00 0.00 C ATOM 684 O SER A 48 2.504 18.176 1.916 1.00 0.00 O ATOM 685 CB SER A 48 4.248 16.710 4.289 1.00 0.00 C ATOM 686 OG SER A 48 4.323 16.794 5.704 1.00 0.00 O ATOM 0 H SER A 48 2.617 14.905 4.622 1.00 0.00 H new ATOM 0 HA SER A 48 2.240 17.567 4.292 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.708 15.780 3.954 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.819 17.526 3.845 1.00 0.00 H new ATOM 0 HG SER A 48 5.261 16.750 5.985 1.00 0.00 H new ATOM 692 N ASP A 49 3.275 16.116 1.490 1.00 0.00 N ATOM 693 CA ASP A 49 3.410 16.292 0.078 1.00 0.00 C ATOM 694 C ASP A 49 2.096 16.252 -0.623 1.00 0.00 C ATOM 695 O ASP A 49 1.846 17.013 -1.557 1.00 0.00 O ATOM 696 CB ASP A 49 4.398 15.244 -0.463 1.00 0.00 C ATOM 697 CG ASP A 49 5.005 15.645 -1.800 1.00 0.00 C ATOM 698 OD1 ASP A 49 5.695 16.698 -1.858 1.00 0.00 O ATOM 699 OD2 ASP A 49 4.802 14.933 -2.819 1.00 0.00 O ATOM 0 H ASP A 49 3.542 15.183 1.805 1.00 0.00 H new ATOM 0 HA ASP A 49 3.810 17.286 -0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.196 15.094 0.264 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.884 14.289 -0.574 1.00 0.00 H new ATOM 704 N GLY A 50 1.181 15.374 -0.172 1.00 0.00 N ATOM 705 CA GLY A 50 -0.158 15.247 -0.657 1.00 0.00 C ATOM 706 C GLY A 50 -0.238 14.316 -1.819 1.00 0.00 C ATOM 707 O GLY A 50 -0.145 14.733 -2.972 1.00 0.00 O ATOM 0 H GLY A 50 1.390 14.713 0.577 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.802 14.885 0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.533 16.228 -0.950 1.00 0.00 H new ATOM 711 N ARG A 51 -0.420 13.010 -1.558 1.00 0.00 N ATOM 712 CA ARG A 51 -0.074 11.994 -2.504 1.00 0.00 C ATOM 713 C ARG A 51 -1.079 10.898 -2.599 1.00 0.00 C ATOM 714 O ARG A 51 -1.618 10.636 -3.673 1.00 0.00 O ATOM 715 CB ARG A 51 1.301 11.405 -2.150 1.00 0.00 C ATOM 716 CG ARG A 51 2.462 12.305 -2.580 1.00 0.00 C ATOM 717 CD ARG A 51 2.722 12.233 -4.086 1.00 0.00 C ATOM 718 NE ARG A 51 3.290 13.539 -4.524 1.00 0.00 N ATOM 719 CZ ARG A 51 2.919 14.197 -5.661 1.00 0.00 C ATOM 720 NH1 ARG A 51 1.906 13.753 -6.460 1.00 0.00 N ATOM 721 NH2 ARG A 51 3.570 15.345 -6.010 1.00 0.00 N ATOM 0 H ARG A 51 -0.810 12.655 -0.685 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.048 12.476 -3.481 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.354 11.241 -1.074 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.407 10.431 -2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.244 13.335 -2.300 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.364 12.013 -2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.414 11.422 -4.314 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.796 12.022 -4.622 1.00 0.00 H new ATOM 0 HE ARG A 51 4.003 13.970 -3.935 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.398 12.903 -6.215 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.656 14.271 -7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.324 15.702 -5.424 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.302 15.846 -6.857 1.00 0.00 H new ATOM 735 N ILE A 52 -1.365 10.207 -1.481 1.00 0.00 N ATOM 736 CA ILE A 52 -2.189 9.039 -1.444 1.00 0.00 C ATOM 737 C ILE A 52 -3.205 9.318 -0.390 1.00 0.00 C ATOM 738 O ILE A 52 -2.860 9.773 0.699 1.00 0.00 O ATOM 739 CB ILE A 52 -1.437 7.788 -1.098 1.00 0.00 C ATOM 740 CG1 ILE A 52 -0.213 7.600 -2.009 1.00 0.00 C ATOM 741 CG2 ILE A 52 -2.390 6.585 -1.191 1.00 0.00 C ATOM 742 CD1 ILE A 52 0.621 6.356 -1.704 1.00 0.00 C ATOM 0 H ILE A 52 -1.007 10.474 -0.564 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.617 8.855 -2.430 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.062 7.870 -0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.551 7.550 -3.044 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.425 8.479 -1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.849 5.672 -0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.216 6.720 -0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.781 6.508 -2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.463 6.304 -2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.994 6.410 -0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.002 5.466 -1.819 1.00 0.00 H new ATOM 754 N HIS A 53 -4.501 9.104 -0.677 1.00 0.00 N ATOM 755 CA HIS A 53 -5.546 9.518 0.208 1.00 0.00 C ATOM 756 C HIS A 53 -6.335 8.351 0.696 1.00 0.00 C ATOM 757 O HIS A 53 -6.158 7.209 0.276 1.00 0.00 O ATOM 758 CB HIS A 53 -6.469 10.571 -0.427 1.00 0.00 C ATOM 759 CG HIS A 53 -5.681 11.785 -0.821 1.00 0.00 C ATOM 760 ND1 HIS A 53 -5.269 12.649 0.174 1.00 0.00 N ATOM 761 CD2 HIS A 53 -5.166 12.173 -2.019 1.00 0.00 C ATOM 762 CE1 HIS A 53 -4.494 13.534 -0.426 1.00 0.00 C ATOM 763 NE2 HIS A 53 -4.405 13.295 -1.761 1.00 0.00 N ATOM 0 H HIS A 53 -4.827 8.642 -1.526 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.061 9.988 1.063 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.964 10.150 -1.303 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -7.252 10.850 0.278 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.321 11.699 -2.977 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.994 14.346 0.081 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -3.877 13.841 -2.442 1.00 0.00 H new ATOM 771 N LYS A 54 -7.228 8.615 1.667 1.00 0.00 N ATOM 772 CA LYS A 54 -8.003 7.613 2.328 1.00 0.00 C ATOM 773 C LYS A 54 -8.880 6.836 1.406 1.00 0.00 C ATOM 774 O LYS A 54 -9.729 7.398 0.717 1.00 0.00 O ATOM 775 CB LYS A 54 -8.803 8.190 3.508 1.00 0.00 C ATOM 776 CG LYS A 54 -9.474 7.117 4.369 1.00 0.00 C ATOM 777 CD LYS A 54 -10.360 7.706 5.467 1.00 0.00 C ATOM 778 CE LYS A 54 -10.971 6.665 6.407 1.00 0.00 C ATOM 779 NZ LYS A 54 -11.611 5.582 5.628 1.00 0.00 N ATOM 0 H LYS A 54 -7.416 9.559 2.003 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.280 6.903 2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.136 8.783 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.566 8.867 3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.076 6.470 3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.707 6.491 4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.770 8.409 6.056 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.165 8.276 5.002 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.197 6.249 7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.707 7.139 7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.192 4.996 6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.214 5.996 4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.877 4.992 5.186 1.00 0.00 H new ATOM 793 N GLY A 55 -8.693 5.506 1.348 1.00 0.00 N ATOM 794 CA GLY A 55 -9.401 4.641 0.456 1.00 0.00 C ATOM 795 C GLY A 55 -8.949 4.640 -0.963 1.00 0.00 C ATOM 796 O GLY A 55 -9.710 4.263 -1.853 1.00 0.00 O ATOM 0 H GLY A 55 -8.025 5.015 1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.329 3.623 0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.456 4.916 0.479 1.00 0.00 H new ATOM 800 N ASP A 56 -7.681 4.986 -1.250 1.00 0.00 N ATOM 801 CA ASP A 56 -7.054 4.624 -2.484 1.00 0.00 C ATOM 802 C ASP A 56 -6.679 3.182 -2.462 1.00 0.00 C ATOM 803 O ASP A 56 -6.504 2.572 -1.408 1.00 0.00 O ATOM 804 CB ASP A 56 -5.830 5.508 -2.776 1.00 0.00 C ATOM 805 CG ASP A 56 -6.199 6.937 -3.145 1.00 0.00 C ATOM 806 OD1 ASP A 56 -7.355 7.198 -3.574 1.00 0.00 O ATOM 807 OD2 ASP A 56 -5.305 7.820 -3.047 1.00 0.00 O ATOM 0 H ASP A 56 -7.084 5.522 -0.620 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.769 4.788 -3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.182 5.521 -1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.256 5.066 -3.590 1.00 0.00 H new ATOM 812 N ARG A 57 -6.584 2.548 -3.644 1.00 0.00 N ATOM 813 CA ARG A 57 -6.436 1.131 -3.777 1.00 0.00 C ATOM 814 C ARG A 57 -5.221 0.837 -4.589 1.00 0.00 C ATOM 815 O ARG A 57 -5.177 1.120 -5.784 1.00 0.00 O ATOM 816 CB ARG A 57 -7.681 0.523 -4.444 1.00 0.00 C ATOM 817 CG ARG A 57 -7.647 -1.001 -4.578 1.00 0.00 C ATOM 818 CD ARG A 57 -8.979 -1.648 -4.964 1.00 0.00 C ATOM 819 NE ARG A 57 -9.346 -1.255 -6.354 1.00 0.00 N ATOM 820 CZ ARG A 57 -9.750 -2.151 -7.300 1.00 0.00 C ATOM 821 NH1 ARG A 57 -9.545 -3.498 -7.205 1.00 0.00 N ATOM 822 NH2 ARG A 57 -10.405 -1.723 -8.419 1.00 0.00 N ATOM 0 H ARG A 57 -6.611 3.038 -4.538 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.327 0.687 -2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.562 0.805 -3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.797 0.960 -5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.901 -1.268 -5.326 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.315 -1.426 -3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.902 -2.733 -4.891 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.760 -1.337 -4.270 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.293 -0.269 -6.610 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.065 -3.885 -6.392 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.871 -4.117 -7.947 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.594 -0.729 -8.550 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.705 -2.397 -9.123 1.00 0.00 H new ATOM 836 N VAL A 58 -4.161 0.281 -3.977 1.00 0.00 N ATOM 837 CA VAL A 58 -2.885 0.155 -4.611 1.00 0.00 C ATOM 838 C VAL A 58 -2.643 -1.233 -5.095 1.00 0.00 C ATOM 839 O VAL A 58 -3.210 -2.204 -4.596 1.00 0.00 O ATOM 840 CB VAL A 58 -1.754 0.650 -3.758 1.00 0.00 C ATOM 841 CG1 VAL A 58 -2.011 2.120 -3.389 1.00 0.00 C ATOM 842 CG2 VAL A 58 -1.567 -0.194 -2.486 1.00 0.00 C ATOM 0 H VAL A 58 -4.190 -0.087 -3.026 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.916 0.808 -5.483 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.832 0.561 -4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.194 2.488 -2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.074 2.718 -4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.948 2.198 -2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.737 0.205 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.479 -0.160 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.353 -1.226 -2.763 1.00 0.00 H new ATOM 852 N LEU A 59 -1.818 -1.370 -6.148 1.00 0.00 N ATOM 853 CA LEU A 59 -1.543 -2.632 -6.764 1.00 0.00 C ATOM 854 C LEU A 59 -0.078 -2.898 -6.803 1.00 0.00 C ATOM 855 O LEU A 59 0.444 -3.692 -6.021 1.00 0.00 O ATOM 856 CB LEU A 59 -2.157 -2.685 -8.173 1.00 0.00 C ATOM 857 CG LEU A 59 -2.053 -4.032 -8.907 1.00 0.00 C ATOM 858 CD1 LEU A 59 -2.761 -5.172 -8.157 1.00 0.00 C ATOM 859 CD2 LEU A 59 -2.631 -3.897 -10.327 1.00 0.00 C ATOM 0 H LEU A 59 -1.330 -0.586 -6.582 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.003 -3.417 -6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.211 -2.416 -8.098 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.676 -1.923 -8.786 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.996 -4.292 -8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.655 -6.099 -8.721 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.312 -5.293 -7.171 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.819 -4.933 -8.046 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.555 -4.854 -10.843 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.678 -3.599 -10.267 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.070 -3.142 -10.878 1.00 0.00 H new ATOM 871 N ALA A 60 0.658 -2.270 -7.737 1.00 0.00 N ATOM 872 CA ALA A 60 2.002 -2.664 -8.031 1.00 0.00 C ATOM 873 C ALA A 60 3.013 -1.885 -7.261 1.00 0.00 C ATOM 874 O ALA A 60 2.945 -0.661 -7.168 1.00 0.00 O ATOM 875 CB ALA A 60 2.260 -2.547 -9.543 1.00 0.00 C ATOM 0 H ALA A 60 0.320 -1.484 -8.292 1.00 0.00 H new ATOM 0 HA ALA A 60 2.113 -3.703 -7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.285 -2.848 -9.762 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.569 -3.195 -10.081 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.110 -1.515 -9.859 1.00 0.00 H new ATOM 881 N VAL A 61 4.002 -2.587 -6.681 1.00 0.00 N ATOM 882 CA VAL A 61 5.064 -2.041 -5.893 1.00 0.00 C ATOM 883 C VAL A 61 6.283 -1.986 -6.747 1.00 0.00 C ATOM 884 O VAL A 61 7.042 -2.944 -6.889 1.00 0.00 O ATOM 885 CB VAL A 61 5.228 -2.768 -4.591 1.00 0.00 C ATOM 886 CG1 VAL A 61 5.262 -4.297 -4.752 1.00 0.00 C ATOM 887 CG2 VAL A 61 6.442 -2.268 -3.789 1.00 0.00 C ATOM 0 H VAL A 61 4.064 -3.601 -6.768 1.00 0.00 H new ATOM 0 HA VAL A 61 4.836 -1.023 -5.578 1.00 0.00 H new ATOM 0 HB VAL A 61 4.333 -2.532 -4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.383 -4.763 -3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.330 -4.636 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.098 -4.577 -5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.516 -2.826 -2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.350 -2.416 -4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.321 -1.207 -3.569 1.00 0.00 H new ATOM 897 N ASN A 62 6.472 -0.851 -7.444 1.00 0.00 N ATOM 898 CA ASN A 62 7.459 -0.637 -8.457 1.00 0.00 C ATOM 899 C ASN A 62 7.371 -1.622 -9.571 1.00 0.00 C ATOM 900 O ASN A 62 8.285 -2.402 -9.830 1.00 0.00 O ATOM 901 CB ASN A 62 8.872 -0.439 -7.885 1.00 0.00 C ATOM 902 CG ASN A 62 9.858 -0.006 -8.961 1.00 0.00 C ATOM 903 OD1 ASN A 62 9.631 0.980 -9.660 1.00 0.00 O ATOM 904 ND2 ASN A 62 10.960 -0.782 -9.143 1.00 0.00 N ATOM 0 H ASN A 62 5.894 -0.025 -7.288 1.00 0.00 H new ATOM 0 HA ASN A 62 7.221 0.319 -8.923 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.843 0.311 -7.095 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.214 -1.369 -7.430 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.629 -0.553 -9.878 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.117 -1.593 -8.545 1.00 0.00 H new ATOM 911 N GLY A 63 6.233 -1.648 -10.288 1.00 0.00 N ATOM 912 CA GLY A 63 6.038 -2.525 -11.402 1.00 0.00 C ATOM 913 C GLY A 63 5.447 -3.844 -11.040 1.00 0.00 C ATOM 914 O GLY A 63 4.552 -4.333 -11.728 1.00 0.00 O ATOM 0 H GLY A 63 5.432 -1.048 -10.090 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.389 -2.035 -12.128 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.997 -2.691 -11.893 1.00 0.00 H new ATOM 918 N VAL A 64 5.920 -4.485 -9.958 1.00 0.00 N ATOM 919 CA VAL A 64 5.579 -5.835 -9.629 1.00 0.00 C ATOM 920 C VAL A 64 4.348 -5.927 -8.797 1.00 0.00 C ATOM 921 O VAL A 64 4.247 -5.327 -7.728 1.00 0.00 O ATOM 922 CB VAL A 64 6.713 -6.540 -8.947 1.00 0.00 C ATOM 923 CG1 VAL A 64 6.446 -8.053 -8.875 1.00 0.00 C ATOM 924 CG2 VAL A 64 8.012 -6.303 -9.736 1.00 0.00 C ATOM 0 H VAL A 64 6.559 -4.052 -9.291 1.00 0.00 H new ATOM 0 HA VAL A 64 5.376 -6.333 -10.577 1.00 0.00 H new ATOM 0 HB VAL A 64 6.807 -6.145 -7.935 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.280 -8.546 -8.377 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.529 -8.234 -8.314 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.339 -8.452 -9.884 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.837 -6.815 -9.241 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.899 -6.691 -10.748 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.222 -5.234 -9.779 1.00 0.00 H new ATOM 934 N SER A 65 3.343 -6.706 -9.235 1.00 0.00 N ATOM 935 CA SER A 65 2.137 -6.937 -8.503 1.00 0.00 C ATOM 936 C SER A 65 2.353 -7.877 -7.367 1.00 0.00 C ATOM 937 O SER A 65 3.227 -8.742 -7.402 1.00 0.00 O ATOM 938 CB SER A 65 0.999 -7.482 -9.383 1.00 0.00 C ATOM 939 OG SER A 65 -0.241 -7.533 -8.692 1.00 0.00 O ATOM 0 H SER A 65 3.371 -7.192 -10.131 1.00 0.00 H new ATOM 0 HA SER A 65 1.842 -5.960 -8.121 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.894 -6.853 -10.267 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.259 -8.481 -9.732 1.00 0.00 H new ATOM 0 HG SER A 65 -0.908 -7.987 -9.249 1.00 0.00 H new ATOM 945 N LEU A 66 1.579 -7.729 -6.276 1.00 0.00 N ATOM 946 CA LEU A 66 1.655 -8.568 -5.122 1.00 0.00 C ATOM 947 C LEU A 66 0.671 -9.687 -5.152 1.00 0.00 C ATOM 948 O LEU A 66 0.717 -10.582 -4.308 1.00 0.00 O ATOM 949 CB LEU A 66 1.585 -7.766 -3.812 1.00 0.00 C ATOM 950 CG LEU A 66 0.253 -7.202 -3.293 1.00 0.00 C ATOM 951 CD1 LEU A 66 -0.595 -6.466 -4.344 1.00 0.00 C ATOM 952 CD2 LEU A 66 -0.594 -8.224 -2.516 1.00 0.00 C ATOM 0 H LEU A 66 0.874 -6.997 -6.196 1.00 0.00 H new ATOM 0 HA LEU A 66 2.640 -9.033 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.988 -8.405 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.268 -6.923 -3.918 1.00 0.00 H new ATOM 0 HG LEU A 66 0.577 -6.441 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.514 -6.105 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.031 -5.621 -4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.841 -7.150 -5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.518 -7.752 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.831 -9.068 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.034 -8.578 -1.650 1.00 0.00 H new ATOM 964 N GLU A 67 -0.263 -9.703 -6.119 1.00 0.00 N ATOM 965 CA GLU A 67 -1.392 -10.581 -6.123 1.00 0.00 C ATOM 966 C GLU A 67 -1.066 -12.034 -6.134 1.00 0.00 C ATOM 967 O GLU A 67 -0.269 -12.535 -6.927 1.00 0.00 O ATOM 968 CB GLU A 67 -2.383 -10.185 -7.229 1.00 0.00 C ATOM 969 CG GLU A 67 -1.916 -10.492 -8.654 1.00 0.00 C ATOM 970 CD GLU A 67 -2.730 -9.711 -9.675 1.00 0.00 C ATOM 971 OE1 GLU A 67 -3.921 -10.055 -9.906 1.00 0.00 O ATOM 972 OE2 GLU A 67 -2.185 -8.715 -10.220 1.00 0.00 O ATOM 0 H GLU A 67 -0.231 -9.082 -6.928 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.877 -10.442 -5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.327 -10.701 -7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.584 -9.117 -7.151 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.860 -10.241 -8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.010 -11.560 -8.849 1.00 0.00 H new ATOM 979 N GLY A 68 -1.632 -12.778 -5.166 1.00 0.00 N ATOM 980 CA GLY A 68 -1.185 -14.084 -4.794 1.00 0.00 C ATOM 981 C GLY A 68 -0.669 -14.113 -3.396 1.00 0.00 C ATOM 982 O GLY A 68 -0.997 -15.011 -2.623 1.00 0.00 O ATOM 0 H GLY A 68 -2.432 -12.457 -4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.008 -14.792 -4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.401 -14.409 -5.478 1.00 0.00 H new ATOM 986 N ALA A 69 0.175 -13.135 -3.023 1.00 0.00 N ATOM 987 CA ALA A 69 0.766 -13.018 -1.726 1.00 0.00 C ATOM 988 C ALA A 69 -0.153 -12.478 -0.685 1.00 0.00 C ATOM 989 O ALA A 69 -1.212 -11.925 -0.976 1.00 0.00 O ATOM 990 CB ALA A 69 2.023 -12.136 -1.835 1.00 0.00 C ATOM 0 H ALA A 69 0.459 -12.389 -3.658 1.00 0.00 H new ATOM 0 HA ALA A 69 1.018 -14.026 -1.396 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.485 -12.038 -0.853 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.731 -12.595 -2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.744 -11.149 -2.205 1.00 0.00 H new ATOM 996 N THR A 70 0.222 -12.613 0.601 1.00 0.00 N ATOM 997 CA THR A 70 -0.461 -12.022 1.709 1.00 0.00 C ATOM 998 C THR A 70 0.130 -10.701 2.063 1.00 0.00 C ATOM 999 O THR A 70 1.227 -10.325 1.654 1.00 0.00 O ATOM 1000 CB THR A 70 -0.430 -12.858 2.953 1.00 0.00 C ATOM 1001 OG1 THR A 70 0.896 -13.252 3.275 1.00 0.00 O ATOM 1002 CG2 THR A 70 -1.285 -14.126 2.780 1.00 0.00 C ATOM 0 H THR A 70 1.038 -13.159 0.879 1.00 0.00 H new ATOM 0 HA THR A 70 -1.493 -11.925 1.372 1.00 0.00 H new ATOM 0 HB THR A 70 -0.833 -12.245 3.759 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.887 -13.794 4.091 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.248 -14.717 3.695 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.317 -13.843 2.572 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.896 -14.716 1.950 1.00 0.00 H new ATOM 1010 N HIS A 71 -0.587 -9.945 2.914 1.00 0.00 N ATOM 1011 CA HIS A 71 -0.224 -8.739 3.590 1.00 0.00 C ATOM 1012 C HIS A 71 1.145 -8.683 4.175 1.00 0.00 C ATOM 1013 O HIS A 71 1.897 -7.743 3.919 1.00 0.00 O ATOM 1014 CB HIS A 71 -1.285 -8.542 4.686 1.00 0.00 C ATOM 1015 CG HIS A 71 -1.151 -7.333 5.564 1.00 0.00 C ATOM 1016 ND1 HIS A 71 -0.999 -6.035 5.118 1.00 0.00 N ATOM 1017 CD2 HIS A 71 -1.254 -7.254 6.918 1.00 0.00 C ATOM 1018 CE1 HIS A 71 -0.998 -5.239 6.222 1.00 0.00 C ATOM 1019 NE2 HIS A 71 -1.137 -5.942 7.330 1.00 0.00 N ATOM 0 H HIS A 71 -1.540 -10.218 3.155 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.195 -7.942 2.847 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.263 -8.503 4.206 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.278 -9.425 5.325 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.906 -5.731 4.149 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.406 -8.097 7.576 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.896 -4.164 6.195 1.00 0.00 H new ATOM 1027 N LYS A 72 1.552 -9.691 4.966 1.00 0.00 N ATOM 1028 CA LYS A 72 2.832 -9.769 5.599 1.00 0.00 C ATOM 1029 C LYS A 72 3.954 -10.008 4.648 1.00 0.00 C ATOM 1030 O LYS A 72 5.085 -9.567 4.844 1.00 0.00 O ATOM 1031 CB LYS A 72 2.770 -10.847 6.693 1.00 0.00 C ATOM 1032 CG LYS A 72 4.043 -11.116 7.498 1.00 0.00 C ATOM 1033 CD LYS A 72 4.729 -9.910 8.145 1.00 0.00 C ATOM 1034 CE LYS A 72 3.909 -9.089 9.140 1.00 0.00 C ATOM 1035 NZ LYS A 72 3.486 -9.884 10.316 1.00 0.00 N ATOM 0 H LYS A 72 0.957 -10.493 5.175 1.00 0.00 H new ATOM 0 HA LYS A 72 3.051 -8.798 6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.982 -10.569 7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.465 -11.783 6.225 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.800 -11.829 8.286 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.763 -11.601 6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.624 -10.265 8.657 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.060 -9.243 7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.498 -8.235 9.475 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.027 -8.690 8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.933 -9.283 10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.901 -10.684 10.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.326 -10.243 10.813 1.00 0.00 H new ATOM 1049 N GLN A 73 3.680 -10.687 3.519 1.00 0.00 N ATOM 1050 CA GLN A 73 4.606 -10.891 2.450 1.00 0.00 C ATOM 1051 C GLN A 73 4.803 -9.644 1.660 1.00 0.00 C ATOM 1052 O GLN A 73 5.924 -9.212 1.393 1.00 0.00 O ATOM 1053 CB GLN A 73 4.037 -12.035 1.595 1.00 0.00 C ATOM 1054 CG GLN A 73 5.023 -12.688 0.622 1.00 0.00 C ATOM 1055 CD GLN A 73 6.061 -13.508 1.375 1.00 0.00 C ATOM 1056 OE1 GLN A 73 5.738 -14.472 2.068 1.00 0.00 O ATOM 1057 NE2 GLN A 73 7.359 -13.121 1.244 1.00 0.00 N ATOM 0 H GLN A 73 2.770 -11.113 3.345 1.00 0.00 H new ATOM 0 HA GLN A 73 5.594 -11.154 2.828 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.649 -12.805 2.262 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.191 -11.652 1.024 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.483 -13.328 -0.075 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.520 -11.919 0.030 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.595 -12.317 0.662 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.096 -13.635 1.728 1.00 0.00 H new ATOM 1066 N ALA A 74 3.706 -8.958 1.294 1.00 0.00 N ATOM 1067 CA ALA A 74 3.696 -7.725 0.570 1.00 0.00 C ATOM 1068 C ALA A 74 4.276 -6.560 1.295 1.00 0.00 C ATOM 1069 O ALA A 74 4.902 -5.694 0.685 1.00 0.00 O ATOM 1070 CB ALA A 74 2.247 -7.403 0.166 1.00 0.00 C ATOM 0 H ALA A 74 2.767 -9.286 1.518 1.00 0.00 H new ATOM 0 HA ALA A 74 4.342 -7.878 -0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.224 -6.464 -0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.858 -8.204 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.631 -7.312 1.061 1.00 0.00 H new ATOM 1076 N VAL A 75 4.127 -6.460 2.628 1.00 0.00 N ATOM 1077 CA VAL A 75 4.702 -5.402 3.400 1.00 0.00 C ATOM 1078 C VAL A 75 6.183 -5.524 3.514 1.00 0.00 C ATOM 1079 O VAL A 75 6.904 -4.529 3.552 1.00 0.00 O ATOM 1080 CB VAL A 75 4.040 -5.194 4.730 1.00 0.00 C ATOM 1081 CG1 VAL A 75 4.454 -6.233 5.785 1.00 0.00 C ATOM 1082 CG2 VAL A 75 4.305 -3.767 5.239 1.00 0.00 C ATOM 0 H VAL A 75 3.594 -7.130 3.183 1.00 0.00 H new ATOM 0 HA VAL A 75 4.501 -4.491 2.835 1.00 0.00 H new ATOM 0 HB VAL A 75 2.970 -5.331 4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.939 -6.024 6.723 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.186 -7.231 5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.531 -6.181 5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.819 -3.629 6.205 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.379 -3.613 5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.905 -3.046 4.526 1.00 0.00 H new ATOM 1092 N GLU A 76 6.730 -6.753 3.493 1.00 0.00 N ATOM 1093 CA GLU A 76 8.138 -7.005 3.465 1.00 0.00 C ATOM 1094 C GLU A 76 8.798 -6.500 2.229 1.00 0.00 C ATOM 1095 O GLU A 76 9.794 -5.781 2.287 1.00 0.00 O ATOM 1096 CB GLU A 76 8.399 -8.509 3.649 1.00 0.00 C ATOM 1097 CG GLU A 76 9.877 -8.906 3.636 1.00 0.00 C ATOM 1098 CD GLU A 76 10.041 -10.341 4.113 1.00 0.00 C ATOM 1099 OE1 GLU A 76 9.820 -10.584 5.330 1.00 0.00 O ATOM 1100 OE2 GLU A 76 10.399 -11.236 3.303 1.00 0.00 O ATOM 0 H GLU A 76 6.169 -7.605 3.496 1.00 0.00 H new ATOM 0 HA GLU A 76 8.582 -6.451 4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.959 -8.828 4.594 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.883 -9.053 2.858 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.280 -8.802 2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.447 -8.234 4.278 1.00 0.00 H new ATOM 1107 N THR A 77 8.220 -6.793 1.049 1.00 0.00 N ATOM 1108 CA THR A 77 8.594 -6.255 -0.222 1.00 0.00 C ATOM 1109 C THR A 77 8.573 -4.765 -0.261 1.00 0.00 C ATOM 1110 O THR A 77 9.448 -4.110 -0.825 1.00 0.00 O ATOM 1111 CB THR A 77 7.694 -6.761 -1.310 1.00 0.00 C ATOM 1112 OG1 THR A 77 7.744 -8.178 -1.384 1.00 0.00 O ATOM 1113 CG2 THR A 77 8.089 -6.252 -2.706 1.00 0.00 C ATOM 0 H THR A 77 7.441 -7.448 0.980 1.00 0.00 H new ATOM 0 HA THR A 77 9.619 -6.590 -0.383 1.00 0.00 H new ATOM 0 HB THR A 77 6.701 -6.394 -1.049 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.149 -8.489 -2.098 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.399 -6.654 -3.448 1.00 0.00 H new ATOM 0 HG22 THR A 77 8.045 -5.163 -2.722 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.103 -6.578 -2.939 1.00 0.00 H new ATOM 1121 N LEU A 78 7.563 -4.144 0.374 1.00 0.00 N ATOM 1122 CA LEU A 78 7.358 -2.730 0.352 1.00 0.00 C ATOM 1123 C LEU A 78 8.197 -1.947 1.304 1.00 0.00 C ATOM 1124 O LEU A 78 8.596 -0.823 1.006 1.00 0.00 O ATOM 1125 CB LEU A 78 5.862 -2.464 0.591 1.00 0.00 C ATOM 1126 CG LEU A 78 5.385 -1.053 0.208 1.00 0.00 C ATOM 1127 CD1 LEU A 78 4.011 -1.126 -0.479 1.00 0.00 C ATOM 1128 CD2 LEU A 78 5.310 -0.121 1.429 1.00 0.00 C ATOM 0 H LEU A 78 6.864 -4.645 0.922 1.00 0.00 H new ATOM 0 HA LEU A 78 7.681 -2.377 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.283 -3.193 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.642 -2.632 1.645 1.00 0.00 H new ATOM 0 HG LEU A 78 6.118 -0.637 -0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.684 -0.121 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.087 -1.734 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.287 -1.575 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.969 0.865 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.610 -0.531 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.297 -0.035 1.883 1.00 0.00 H new ATOM 1140 N ARG A 79 8.534 -2.489 2.488 1.00 0.00 N ATOM 1141 CA ARG A 79 9.421 -1.858 3.415 1.00 0.00 C ATOM 1142 C ARG A 79 10.843 -1.861 2.969 1.00 0.00 C ATOM 1143 O ARG A 79 11.592 -0.931 3.263 1.00 0.00 O ATOM 1144 CB ARG A 79 9.332 -2.509 4.806 1.00 0.00 C ATOM 1145 CG ARG A 79 8.075 -2.135 5.592 1.00 0.00 C ATOM 1146 CD ARG A 79 8.010 -2.860 6.938 1.00 0.00 C ATOM 1147 NE ARG A 79 6.816 -2.389 7.695 1.00 0.00 N ATOM 1148 CZ ARG A 79 6.279 -3.101 8.729 1.00 0.00 C ATOM 1149 NH1 ARG A 79 6.748 -4.338 9.063 1.00 0.00 N ATOM 1150 NH2 ARG A 79 5.259 -2.557 9.456 1.00 0.00 N ATOM 0 H ARG A 79 8.180 -3.390 2.809 1.00 0.00 H new ATOM 0 HA ARG A 79 9.091 -0.821 3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.366 -3.592 4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.209 -2.222 5.386 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.057 -1.058 5.758 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.191 -2.381 5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.954 -3.937 6.781 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.917 -2.668 7.511 1.00 0.00 H new ATOM 0 HE ARG A 79 6.384 -1.503 7.431 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.517 -4.751 8.536 1.00 0.00 H new ATOM 0 HH12 ARG A 79 6.329 -4.849 9.840 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.906 -1.628 9.224 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.850 -3.079 10.231 1.00 0.00 H new ATOM 1164 N ASN A 80 11.286 -2.889 2.224 1.00 0.00 N ATOM 1165 CA ASN A 80 12.637 -2.979 1.765 1.00 0.00 C ATOM 1166 C ASN A 80 12.823 -2.312 0.445 1.00 0.00 C ATOM 1167 O ASN A 80 13.166 -2.929 -0.561 1.00 0.00 O ATOM 1168 CB ASN A 80 13.122 -4.439 1.708 1.00 0.00 C ATOM 1169 CG ASN A 80 13.299 -4.995 3.113 1.00 0.00 C ATOM 1170 OD1 ASN A 80 14.282 -4.728 3.803 1.00 0.00 O ATOM 1171 ND2 ASN A 80 12.316 -5.809 3.583 1.00 0.00 N ATOM 0 H ASN A 80 10.697 -3.670 1.936 1.00 0.00 H new ATOM 0 HA ASN A 80 13.249 -2.448 2.494 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.403 -5.046 1.158 1.00 0.00 H new ATOM 0 HB3 ASN A 80 14.066 -4.494 1.167 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.388 -6.207 4.519 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.507 -6.021 2.999 1.00 0.00 H new ATOM 1178 N THR A 81 12.611 -0.984 0.402 1.00 0.00 N ATOM 1179 CA THR A 81 12.776 -0.140 -0.740 1.00 0.00 C ATOM 1180 C THR A 81 13.976 0.728 -0.575 1.00 0.00 C ATOM 1181 O THR A 81 15.046 0.429 -1.103 1.00 0.00 O ATOM 1182 CB THR A 81 11.564 0.693 -1.033 1.00 0.00 C ATOM 1183 OG1 THR A 81 11.047 1.306 0.139 1.00 0.00 O ATOM 1184 CG2 THR A 81 10.475 -0.249 -1.572 1.00 0.00 C ATOM 0 H THR A 81 12.303 -0.465 1.224 1.00 0.00 H new ATOM 0 HA THR A 81 12.918 -0.798 -1.598 1.00 0.00 H new ATOM 0 HB THR A 81 11.843 1.472 -1.742 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.299 0.775 0.483 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.576 0.325 -1.796 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.831 -0.735 -2.480 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.245 -1.006 -0.822 1.00 0.00 H new ATOM 1192 N GLY A 82 13.849 1.843 0.168 1.00 0.00 N ATOM 1193 CA GLY A 82 14.891 2.776 0.463 1.00 0.00 C ATOM 1194 C GLY A 82 14.649 4.119 -0.134 1.00 0.00 C ATOM 1195 O GLY A 82 14.007 4.981 0.464 1.00 0.00 O ATOM 0 H GLY A 82 12.959 2.109 0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.988 2.876 1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.839 2.384 0.093 1.00 0.00 H new ATOM 1199 N GLN A 83 15.194 4.354 -1.341 1.00 0.00 N ATOM 1200 CA GLN A 83 15.260 5.649 -1.944 1.00 0.00 C ATOM 1201 C GLN A 83 14.001 6.074 -2.619 1.00 0.00 C ATOM 1202 O GLN A 83 13.442 7.130 -2.326 1.00 0.00 O ATOM 1203 CB GLN A 83 16.435 5.697 -2.935 1.00 0.00 C ATOM 1204 CG GLN A 83 16.657 7.073 -3.565 1.00 0.00 C ATOM 1205 CD GLN A 83 17.907 7.130 -4.432 1.00 0.00 C ATOM 1206 OE1 GLN A 83 18.812 7.926 -4.184 1.00 0.00 O ATOM 1207 NE2 GLN A 83 17.966 6.296 -5.504 1.00 0.00 N ATOM 0 H GLN A 83 15.603 3.618 -1.917 1.00 0.00 H new ATOM 0 HA GLN A 83 15.413 6.358 -1.131 1.00 0.00 H new ATOM 0 HB2 GLN A 83 17.346 5.393 -2.419 1.00 0.00 H new ATOM 0 HB3 GLN A 83 16.260 4.969 -3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 83 15.789 7.335 -4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 83 16.733 7.821 -2.776 1.00 0.00 H new ATOM 0 HE21 GLN A 83 17.202 5.646 -5.687 1.00 0.00 H new ATOM 0 HE22 GLN A 83 18.774 6.321 -6.125 1.00 0.00 H new ATOM 1216 N VAL A 84 13.523 5.275 -3.591 1.00 0.00 N ATOM 1217 CA VAL A 84 12.466 5.662 -4.472 1.00 0.00 C ATOM 1218 C VAL A 84 11.172 5.002 -4.138 1.00 0.00 C ATOM 1219 O VAL A 84 11.092 3.850 -3.716 1.00 0.00 O ATOM 1220 CB VAL A 84 12.778 5.444 -5.923 1.00 0.00 C ATOM 1221 CG1 VAL A 84 13.878 6.428 -6.356 1.00 0.00 C ATOM 1222 CG2 VAL A 84 13.209 3.994 -6.203 1.00 0.00 C ATOM 0 H VAL A 84 13.881 4.336 -3.768 1.00 0.00 H new ATOM 0 HA VAL A 84 12.367 6.736 -4.313 1.00 0.00 H new ATOM 0 HB VAL A 84 11.873 5.625 -6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 84 14.109 6.274 -7.410 1.00 0.00 H new ATOM 0 HG12 VAL A 84 13.531 7.450 -6.206 1.00 0.00 H new ATOM 0 HG13 VAL A 84 14.774 6.257 -5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.426 3.878 -7.265 1.00 0.00 H new ATOM 0 HG22 VAL A 84 14.102 3.761 -5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.405 3.314 -5.920 1.00 0.00 H new ATOM 1232 N VAL A 85 10.076 5.759 -4.332 1.00 0.00 N ATOM 1233 CA VAL A 85 8.727 5.353 -4.083 1.00 0.00 C ATOM 1234 C VAL A 85 8.016 5.428 -5.391 1.00 0.00 C ATOM 1235 O VAL A 85 7.538 6.489 -5.793 1.00 0.00 O ATOM 1236 CB VAL A 85 8.080 6.239 -3.060 1.00 0.00 C ATOM 1237 CG1 VAL A 85 6.631 5.805 -2.782 1.00 0.00 C ATOM 1238 CG2 VAL A 85 8.881 6.194 -1.750 1.00 0.00 C ATOM 0 H VAL A 85 10.137 6.714 -4.685 1.00 0.00 H new ATOM 0 HA VAL A 85 8.689 4.341 -3.679 1.00 0.00 H new ATOM 0 HB VAL A 85 8.068 7.255 -3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.190 6.467 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.052 5.859 -3.704 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.623 4.781 -2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.406 6.839 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.908 5.171 -1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.898 6.540 -1.934 1.00 0.00 H new ATOM 1248 N HIS A 86 7.933 4.313 -6.138 1.00 0.00 N ATOM 1249 CA HIS A 86 7.255 4.263 -7.396 1.00 0.00 C ATOM 1250 C HIS A 86 6.150 3.270 -7.298 1.00 0.00 C ATOM 1251 O HIS A 86 6.399 2.102 -7.002 1.00 0.00 O ATOM 1252 CB HIS A 86 8.197 3.871 -8.547 1.00 0.00 C ATOM 1253 CG HIS A 86 7.546 3.935 -9.897 1.00 0.00 C ATOM 1254 ND1 HIS A 86 7.343 5.171 -10.474 1.00 0.00 N ATOM 1255 CD2 HIS A 86 6.992 2.958 -10.664 1.00 0.00 C ATOM 1256 CE1 HIS A 86 6.664 4.931 -11.580 1.00 0.00 C ATOM 1257 NE2 HIS A 86 6.423 3.602 -11.744 1.00 0.00 N ATOM 0 H HIS A 86 8.348 3.423 -5.861 1.00 0.00 H new ATOM 0 HA HIS A 86 6.869 5.258 -7.617 1.00 0.00 H new ATOM 0 HB2 HIS A 86 9.064 4.532 -8.538 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.565 2.859 -8.377 1.00 0.00 H new ATOM 0 HD2 HIS A 86 6.996 1.896 -10.468 1.00 0.00 H new ATOM 0 HE1 HIS A 86 6.339 5.696 -12.270 1.00 0.00 H new ATOM 0 HE2 HIS A 86 5.919 3.166 -12.516 1.00 0.00 H new ATOM 1265 N LEU A 87 4.884 3.663 -7.534 1.00 0.00 N ATOM 1266 CA LEU A 87 3.787 2.759 -7.386 1.00 0.00 C ATOM 1267 C LEU A 87 2.667 3.046 -8.326 1.00 0.00 C ATOM 1268 O LEU A 87 2.574 4.118 -8.922 1.00 0.00 O ATOM 1269 CB LEU A 87 3.259 2.648 -5.945 1.00 0.00 C ATOM 1270 CG LEU A 87 2.344 3.764 -5.412 1.00 0.00 C ATOM 1271 CD1 LEU A 87 1.652 3.313 -4.114 1.00 0.00 C ATOM 1272 CD2 LEU A 87 3.068 5.101 -5.188 1.00 0.00 C ATOM 0 H LEU A 87 4.622 4.604 -7.826 1.00 0.00 H new ATOM 0 HA LEU A 87 4.209 1.788 -7.647 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.716 1.706 -5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.120 2.579 -5.280 1.00 0.00 H new ATOM 0 HG LEU A 87 1.600 3.943 -6.188 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.008 4.113 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.052 2.425 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.406 3.081 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.360 5.840 -4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.869 4.964 -4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.489 5.449 -6.131 1.00 0.00 H new ATOM 1284 N LEU A 88 1.766 2.060 -8.479 1.00 0.00 N ATOM 1285 CA LEU A 88 0.635 2.112 -9.355 1.00 0.00 C ATOM 1286 C LEU A 88 -0.576 1.926 -8.507 1.00 0.00 C ATOM 1287 O LEU A 88 -0.717 0.928 -7.802 1.00 0.00 O ATOM 1288 CB LEU A 88 0.645 0.995 -10.411 1.00 0.00 C ATOM 1289 CG LEU A 88 1.556 1.201 -11.633 1.00 0.00 C ATOM 1290 CD1 LEU A 88 3.063 1.195 -11.322 1.00 0.00 C ATOM 1291 CD2 LEU A 88 1.257 0.115 -12.681 1.00 0.00 C ATOM 0 H LEU A 88 1.829 1.181 -7.966 1.00 0.00 H new ATOM 0 HA LEU A 88 0.652 3.064 -9.885 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.940 0.067 -9.921 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.375 0.857 -10.768 1.00 0.00 H new ATOM 0 HG LEU A 88 1.328 2.199 -12.006 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.625 1.347 -12.243 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.293 1.997 -10.620 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.340 0.237 -10.882 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.902 0.259 -13.548 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.444 -0.868 -12.249 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.214 0.184 -12.989 1.00 0.00 H new ATOM 1303 N LEU A 89 -1.485 2.917 -8.544 1.00 0.00 N ATOM 1304 CA LEU A 89 -2.644 2.998 -7.711 1.00 0.00 C ATOM 1305 C LEU A 89 -3.871 3.036 -8.557 1.00 0.00 C ATOM 1306 O LEU A 89 -3.810 3.235 -9.769 1.00 0.00 O ATOM 1307 CB LEU A 89 -2.677 4.261 -6.835 1.00 0.00 C ATOM 1308 CG LEU A 89 -1.363 4.694 -6.163 1.00 0.00 C ATOM 1309 CD1 LEU A 89 -0.476 5.555 -7.078 1.00 0.00 C ATOM 1310 CD2 LEU A 89 -1.672 5.507 -4.895 1.00 0.00 C ATOM 0 H LEU A 89 -1.406 3.703 -9.189 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.607 2.120 -7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.028 5.089 -7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.420 4.108 -6.053 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.820 3.778 -5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.436 5.829 -6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.219 4.989 -7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.016 6.458 -7.363 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.739 5.812 -4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.249 6.392 -5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.247 4.894 -4.201 1.00 0.00 H new ATOM 1322 N GLU A 90 -5.051 2.869 -7.934 1.00 0.00 N ATOM 1323 CA GLU A 90 -6.326 3.241 -8.464 1.00 0.00 C ATOM 1324 C GLU A 90 -6.962 4.164 -7.482 1.00 0.00 C ATOM 1325 O GLU A 90 -6.996 3.888 -6.283 1.00 0.00 O ATOM 1326 CB GLU A 90 -7.197 1.997 -8.708 1.00 0.00 C ATOM 1327 CG GLU A 90 -8.516 2.290 -9.426 1.00 0.00 C ATOM 1328 CD GLU A 90 -9.309 1.014 -9.677 1.00 0.00 C ATOM 1329 OE1 GLU A 90 -8.847 0.121 -10.437 1.00 0.00 O ATOM 1330 OE2 GLU A 90 -10.438 0.888 -9.134 1.00 0.00 O ATOM 0 H GLU A 90 -5.118 2.450 -7.007 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.214 3.738 -9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.627 1.277 -9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.414 1.525 -7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.112 2.979 -8.828 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.313 2.786 -10.375 1.00 0.00 H new ATOM 1337 N LYS A 91 -7.477 5.316 -7.948 1.00 0.00 N ATOM 1338 CA LYS A 91 -8.033 6.354 -7.138 1.00 0.00 C ATOM 1339 C LYS A 91 -9.326 5.974 -6.504 1.00 0.00 C ATOM 1340 O LYS A 91 -10.159 5.284 -7.089 1.00 0.00 O ATOM 1341 CB LYS A 91 -8.180 7.625 -7.994 1.00 0.00 C ATOM 1342 CG LYS A 91 -8.943 8.806 -7.394 1.00 0.00 C ATOM 1343 CD LYS A 91 -8.950 10.006 -8.344 1.00 0.00 C ATOM 1344 CE LYS A 91 -9.874 11.146 -7.907 1.00 0.00 C ATOM 1345 NZ LYS A 91 -9.786 12.280 -8.852 1.00 0.00 N ATOM 0 H LYS A 91 -7.507 5.534 -8.944 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.350 6.539 -6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.180 7.971 -8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.673 7.346 -8.925 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.968 8.506 -7.176 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.487 9.093 -6.447 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.934 10.391 -8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.251 9.669 -9.336 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.902 10.788 -7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.601 11.478 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.420 13.043 -8.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.808 12.632 -8.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.069 11.963 -9.801 1.00 0.00 H new ATOM 1359 N GLY A 92 -9.530 6.351 -5.229 1.00 0.00 N ATOM 1360 CA GLY A 92 -10.685 5.979 -4.471 1.00 0.00 C ATOM 1361 C GLY A 92 -11.931 6.755 -4.720 1.00 0.00 C ATOM 1362 O GLY A 92 -12.160 7.331 -5.782 1.00 0.00 O ATOM 0 H GLY A 92 -8.872 6.932 -4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.895 4.927 -4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.438 6.063 -3.413 1.00 0.00 H new ATOM 1560 N GLN B 11 -3.755 -9.702 10.861 1.00 0.00 N ATOM 1561 CA GLN B 11 -3.048 -8.629 11.488 1.00 0.00 C ATOM 1562 C GLN B 11 -2.958 -7.418 10.625 1.00 0.00 C ATOM 1563 O GLN B 11 -3.285 -7.463 9.441 1.00 0.00 O ATOM 1564 CB GLN B 11 -1.636 -9.100 11.879 1.00 0.00 C ATOM 1565 CG GLN B 11 -1.638 -10.330 12.788 1.00 0.00 C ATOM 1566 CD GLN B 11 -0.233 -10.774 13.175 1.00 0.00 C ATOM 1567 OE1 GLN B 11 0.719 -9.997 13.227 1.00 0.00 O ATOM 1568 NE2 GLN B 11 -0.082 -12.094 13.465 1.00 0.00 N ATOM 0 HA GLN B 11 -3.611 -8.345 12.377 1.00 0.00 H new ATOM 0 HB2 GLN B 11 -1.073 -9.327 10.974 1.00 0.00 H new ATOM 0 HB3 GLN B 11 -1.115 -8.286 12.383 1.00 0.00 H new ATOM 0 HG2 GLN B 11 -2.207 -10.109 13.691 1.00 0.00 H new ATOM 0 HG3 GLN B 11 -2.148 -11.150 12.283 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -0.884 -12.722 13.416 1.00 0.00 H new ATOM 0 HE22 GLN B 11 0.834 -12.456 13.732 1.00 0.00 H new ATOM 1577 N VAL B 12 -2.531 -6.279 11.199 1.00 0.00 N ATOM 1578 CA VAL B 12 -2.443 -4.999 10.566 1.00 0.00 C ATOM 1579 C VAL B 12 -1.052 -4.470 10.626 1.00 0.00 C ATOM 1580 O VAL B 12 -0.283 -4.805 11.526 1.00 0.00 O ATOM 1581 CB VAL B 12 -3.368 -3.972 11.148 1.00 0.00 C ATOM 1582 CG1 VAL B 12 -4.820 -4.323 10.782 1.00 0.00 C ATOM 1583 CG2 VAL B 12 -3.222 -3.837 12.673 1.00 0.00 C ATOM 0 H VAL B 12 -2.227 -6.251 12.172 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.746 -5.171 9.533 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.096 -3.007 10.720 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.492 -3.577 11.205 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.929 -4.336 9.698 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.069 -5.305 11.184 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.915 -3.080 13.039 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.446 -4.793 13.146 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.201 -3.542 12.916 1.00 0.00 H new ATOM 1593 N SER B 13 -0.676 -3.627 9.647 1.00 0.00 N ATOM 1594 CA SER B 13 0.634 -3.093 9.441 1.00 0.00 C ATOM 1595 C SER B 13 0.617 -1.630 9.157 1.00 0.00 C ATOM 1596 O SER B 13 -0.432 -1.040 8.899 1.00 0.00 O ATOM 1597 CB SER B 13 1.333 -3.739 8.233 1.00 0.00 C ATOM 1598 OG SER B 13 1.398 -5.151 8.373 1.00 0.00 O ATOM 0 H SER B 13 -1.340 -3.295 8.947 1.00 0.00 H new ATOM 0 HA SER B 13 1.163 -3.303 10.371 1.00 0.00 H new ATOM 0 HB2 SER B 13 0.795 -3.486 7.320 1.00 0.00 H new ATOM 0 HB3 SER B 13 2.340 -3.334 8.132 1.00 0.00 H new ATOM 0 HG SER B 13 0.519 -5.540 8.180 1.00 0.00 H new ATOM 1604 N ALA B 14 1.798 -0.987 9.168 1.00 0.00 N ATOM 1605 CA ALA B 14 1.993 0.367 8.755 1.00 0.00 C ATOM 1606 C ALA B 14 3.394 0.589 8.297 1.00 0.00 C ATOM 1607 O ALA B 14 4.312 -0.103 8.734 1.00 0.00 O ATOM 1608 CB ALA B 14 1.669 1.336 9.905 1.00 0.00 C ATOM 0 H ALA B 14 2.660 -1.435 9.481 1.00 0.00 H new ATOM 0 HA ALA B 14 1.316 0.560 7.922 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.824 2.362 9.571 1.00 0.00 H new ATOM 0 HB2 ALA B 14 0.630 1.206 10.209 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.323 1.128 10.752 1.00 0.00 H new ATOM 1614 N VAL B 15 3.614 1.551 7.384 1.00 0.00 N ATOM 1615 CA VAL B 15 4.867 2.161 7.061 1.00 0.00 C ATOM 1616 C VAL B 15 4.585 3.527 6.453 1.00 0.00 C ATOM 1617 O VAL B 15 3.403 3.812 6.122 1.00 0.00 O ATOM 1618 CB VAL B 15 5.770 1.276 6.255 1.00 0.00 C ATOM 1619 CG1 VAL B 15 5.174 0.913 4.884 1.00 0.00 C ATOM 1620 CG2 VAL B 15 7.175 1.883 6.108 1.00 0.00 C ATOM 1621 OXT VAL B 15 5.499 4.385 6.326 1.00 0.00 O ATOM 0 H VAL B 15 2.851 1.933 6.826 1.00 0.00 H new ATOM 0 HA VAL B 15 5.452 2.313 7.968 1.00 0.00 H new ATOM 0 HB VAL B 15 5.864 0.345 6.814 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.870 0.271 4.343 1.00 0.00 H new ATOM 0 HG12 VAL B 15 4.230 0.387 5.025 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.000 1.823 4.310 1.00 0.00 H new ATOM 0 HG21 VAL B 15 7.801 1.213 5.518 1.00 0.00 H new ATOM 0 HG22 VAL B 15 7.104 2.848 5.607 1.00 0.00 H new ATOM 0 HG23 VAL B 15 7.618 2.018 7.095 1.00 0.00 H new