USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 468 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 45 SER OG : rot 160:sc= 0.0383 USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= 0.0299 USER MOD Set 1.3: A 48 THR OG1 : rot 180:sc= 0.0292 USER MOD Set 2.1: A 18 SER OG : rot 180:sc= -0.398 USER MOD Set 2.2: A 19 HIS : no HD1:sc= -3.17 K(o=-3.6,f=-2.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.573 K(o=-0.57,f=-1.7!) USER MOD Single : A 7 ASN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 13 HIS : no HD1:sc= -2.75 K(o=-2.7,f=-4.5!) USER MOD Single : A 14 SER OG : rot 24:sc= 0.112 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.014 K(o=-0.014,f=-1.2) USER MOD Single : A 36 GLN : amide:sc= -2.85! C(o=-2.9!,f=-1.5!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -114:sc= -0.513 (180deg=-2.86!) USER MOD Single : A 44 GLN : amide:sc= -1.02 K(o=-1,f=-2!) USER MOD Single : A 50 GLN : amide:sc= -0.063 X(o=-0.063,f=-0.15) USER MOD Single : A 57 ASN : amide:sc= -5.19! C(o=-5.2!,f=-5.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc=-0.00269 K(o=-0.0027,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.879 11.269 17.018 1.00 0.00 N ATOM 2 CA GLY A 1 -9.701 10.265 17.749 1.00 0.00 C ATOM 3 C GLY A 1 -8.783 9.356 18.570 1.00 0.00 C ATOM 4 O GLY A 1 -8.722 9.448 19.780 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.502 11.887 16.460 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.343 11.842 17.701 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.217 10.779 16.382 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.412 10.769 18.404 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.282 9.671 17.043 1.00 0.00 H new ATOM 10 N SER A 2 -8.066 8.479 17.921 1.00 0.00 N ATOM 11 CA SER A 2 -7.151 7.566 18.665 1.00 0.00 C ATOM 12 C SER A 2 -5.731 7.666 18.100 1.00 0.00 C ATOM 13 O SER A 2 -5.286 6.792 17.382 1.00 0.00 O ATOM 14 CB SER A 2 -7.722 6.165 18.441 1.00 0.00 C ATOM 15 OG SER A 2 -8.756 5.920 19.382 1.00 0.00 O ATOM 0 H SER A 2 -8.074 8.355 16.909 1.00 0.00 H new ATOM 0 HA SER A 2 -7.089 7.815 19.724 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.111 6.077 17.426 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.935 5.419 18.547 1.00 0.00 H new ATOM 0 HG SER A 2 -9.124 5.023 19.238 1.00 0.00 H new ATOM 21 N PRO A 3 -5.069 8.734 18.447 1.00 0.00 N ATOM 22 CA PRO A 3 -3.681 8.919 17.946 1.00 0.00 C ATOM 23 C PRO A 3 -2.811 7.722 18.340 1.00 0.00 C ATOM 24 O PRO A 3 -1.749 7.507 17.789 1.00 0.00 O ATOM 25 CB PRO A 3 -3.202 10.187 18.645 1.00 0.00 C ATOM 26 CG PRO A 3 -4.028 10.277 19.885 1.00 0.00 C ATOM 27 CD PRO A 3 -5.353 9.632 19.576 1.00 0.00 C ATOM 0 HA PRO A 3 -3.628 8.996 16.860 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -2.139 10.131 18.881 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -3.342 11.064 18.013 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -3.536 9.770 20.715 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -4.165 11.316 20.183 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -5.737 9.081 20.435 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.105 10.376 19.313 1.00 0.00 H new ATOM 35 N LEU A 4 -3.252 6.943 19.289 1.00 0.00 N ATOM 36 CA LEU A 4 -2.449 5.761 19.718 1.00 0.00 C ATOM 37 C LEU A 4 -2.869 4.520 18.925 1.00 0.00 C ATOM 38 O LEU A 4 -4.040 4.230 18.779 1.00 0.00 O ATOM 39 CB LEU A 4 -2.772 5.583 21.201 1.00 0.00 C ATOM 40 CG LEU A 4 -1.837 4.534 21.805 1.00 0.00 C ATOM 41 CD1 LEU A 4 -0.501 5.188 22.165 1.00 0.00 C ATOM 42 CD2 LEU A 4 -2.475 3.948 23.066 1.00 0.00 C ATOM 0 H LEU A 4 -4.133 7.073 19.786 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.382 5.901 19.546 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.658 6.532 21.725 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.810 5.274 21.323 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.668 3.738 21.080 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.166 4.441 22.596 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.046 5.605 21.267 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.669 5.985 22.890 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.809 3.200 23.497 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.645 4.744 23.791 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.426 3.482 22.809 1.00 0.00 H new ATOM 54 N GLN A 5 -1.922 3.784 18.411 1.00 0.00 N ATOM 55 CA GLN A 5 -2.268 2.561 17.631 1.00 0.00 C ATOM 56 C GLN A 5 -2.477 1.374 18.575 1.00 0.00 C ATOM 57 O GLN A 5 -1.587 0.985 19.304 1.00 0.00 O ATOM 58 CB GLN A 5 -1.065 2.318 16.718 1.00 0.00 C ATOM 59 CG GLN A 5 -1.391 1.191 15.735 1.00 0.00 C ATOM 60 CD GLN A 5 -0.272 1.080 14.697 1.00 0.00 C ATOM 61 OE1 GLN A 5 0.613 1.912 14.648 1.00 0.00 O ATOM 62 NE2 GLN A 5 -0.271 0.078 13.861 1.00 0.00 N ATOM 0 H GLN A 5 -0.924 3.976 18.497 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.191 2.680 17.063 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.818 3.230 16.174 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.190 2.055 17.313 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.500 0.248 16.270 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.342 1.389 15.241 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.013 -0.621 13.901 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.472 -0.007 13.167 1.00 0.00 H new ATOM 71 N ASP A 6 -3.648 0.799 18.568 1.00 0.00 N ATOM 72 CA ASP A 6 -3.914 -0.361 19.467 1.00 0.00 C ATOM 73 C ASP A 6 -3.619 -1.675 18.740 1.00 0.00 C ATOM 74 O ASP A 6 -3.940 -2.746 19.217 1.00 0.00 O ATOM 75 CB ASP A 6 -5.400 -0.261 19.811 1.00 0.00 C ATOM 76 CG ASP A 6 -6.231 -0.384 18.532 1.00 0.00 C ATOM 77 OD1 ASP A 6 -5.658 -0.709 17.507 1.00 0.00 O ATOM 78 OD2 ASP A 6 -7.427 -0.149 18.601 1.00 0.00 O ATOM 0 H ASP A 6 -4.432 1.081 17.980 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.286 -0.345 20.358 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -5.675 -1.048 20.513 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.607 0.690 20.302 1.00 0.00 H new ATOM 83 N ASN A 7 -3.011 -1.604 17.587 1.00 0.00 N ATOM 84 CA ASN A 7 -2.697 -2.850 16.831 1.00 0.00 C ATOM 85 C ASN A 7 -1.349 -3.421 17.281 1.00 0.00 C ATOM 86 O ASN A 7 -0.862 -4.391 16.736 1.00 0.00 O ATOM 87 CB ASN A 7 -2.637 -2.419 15.366 1.00 0.00 C ATOM 88 CG ASN A 7 -4.019 -1.942 14.917 1.00 0.00 C ATOM 89 OD1 ASN A 7 -4.152 -0.874 14.351 1.00 0.00 O ATOM 90 ND2 ASN A 7 -5.061 -2.692 15.148 1.00 0.00 N ATOM 0 H ASN A 7 -2.718 -0.737 17.136 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.440 -3.631 16.996 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -1.906 -1.620 15.241 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.308 -3.252 14.744 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.987 -2.383 14.854 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.949 -3.588 15.623 1.00 0.00 H new ATOM 97 N LEU A 8 -0.743 -2.827 18.273 1.00 0.00 N ATOM 98 CA LEU A 8 0.572 -3.339 18.756 1.00 0.00 C ATOM 99 C LEU A 8 0.363 -4.348 19.888 1.00 0.00 C ATOM 100 O LEU A 8 -0.609 -4.285 20.615 1.00 0.00 O ATOM 101 CB LEU A 8 1.316 -2.104 19.267 1.00 0.00 C ATOM 102 CG LEU A 8 2.691 -2.518 19.796 1.00 0.00 C ATOM 103 CD1 LEU A 8 3.670 -2.642 18.627 1.00 0.00 C ATOM 104 CD2 LEU A 8 3.198 -1.460 20.777 1.00 0.00 C ATOM 0 H LEU A 8 -1.101 -2.011 18.769 1.00 0.00 H new ATOM 0 HA LEU A 8 1.128 -3.853 17.972 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.428 -1.376 18.464 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.741 -1.621 20.057 1.00 0.00 H new ATOM 0 HG LEU A 8 2.612 -3.478 20.306 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.650 -2.937 19.003 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.308 -3.395 17.927 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.751 -1.682 18.117 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.177 -1.754 21.155 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.279 -0.500 20.267 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.500 -1.371 21.609 1.00 0.00 H new ATOM 116 N VAL A 9 1.266 -5.277 20.044 1.00 0.00 N ATOM 117 CA VAL A 9 1.114 -6.289 21.130 1.00 0.00 C ATOM 118 C VAL A 9 2.482 -6.819 21.565 1.00 0.00 C ATOM 119 O VAL A 9 3.497 -6.520 20.967 1.00 0.00 O ATOM 120 CB VAL A 9 0.287 -7.418 20.514 1.00 0.00 C ATOM 121 CG1 VAL A 9 -1.179 -6.995 20.426 1.00 0.00 C ATOM 122 CG2 VAL A 9 0.816 -7.732 19.113 1.00 0.00 C ATOM 0 H VAL A 9 2.101 -5.380 19.468 1.00 0.00 H new ATOM 0 HA VAL A 9 0.639 -5.864 22.014 1.00 0.00 H new ATOM 0 HB VAL A 9 0.367 -8.307 21.140 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.765 -7.802 19.986 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.555 -6.776 21.425 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.264 -6.104 19.803 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.227 -8.537 18.674 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.739 -6.843 18.487 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.859 -8.040 19.179 1.00 0.00 H new ATOM 132 N ILE A 10 2.512 -7.613 22.598 1.00 0.00 N ATOM 133 CA ILE A 10 3.806 -8.177 23.074 1.00 0.00 C ATOM 134 C ILE A 10 3.746 -9.705 23.027 1.00 0.00 C ATOM 135 O ILE A 10 2.726 -10.303 23.303 1.00 0.00 O ATOM 136 CB ILE A 10 3.950 -7.688 24.516 1.00 0.00 C ATOM 137 CG1 ILE A 10 3.821 -6.165 24.554 1.00 0.00 C ATOM 138 CG2 ILE A 10 5.320 -8.097 25.059 1.00 0.00 C ATOM 139 CD1 ILE A 10 3.761 -5.693 26.007 1.00 0.00 C ATOM 0 H ILE A 10 1.693 -7.897 23.135 1.00 0.00 H new ATOM 0 HA ILE A 10 4.650 -7.865 22.459 1.00 0.00 H new ATOM 0 HB ILE A 10 3.168 -8.134 25.130 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.669 -5.705 24.046 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.923 -5.852 24.022 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.423 -7.749 26.087 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.412 -9.183 25.033 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.103 -7.652 24.445 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.669 -4.607 26.033 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.899 -6.142 26.500 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.672 -5.993 26.525 1.00 0.00 H new ATOM 151 N ALA A 11 4.826 -10.343 22.673 1.00 0.00 N ATOM 152 CA ALA A 11 4.813 -11.830 22.605 1.00 0.00 C ATOM 153 C ALA A 11 4.913 -12.428 24.011 1.00 0.00 C ATOM 154 O ALA A 11 5.905 -12.274 24.691 1.00 0.00 O ATOM 155 CB ALA A 11 6.044 -12.200 21.776 1.00 0.00 C ATOM 0 H ALA A 11 5.713 -9.902 22.429 1.00 0.00 H new ATOM 0 HA ALA A 11 3.893 -12.214 22.163 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.105 -13.284 21.680 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.964 -11.752 20.786 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.941 -11.828 22.271 1.00 0.00 H new ATOM 161 N LEU A 12 3.899 -13.120 24.446 1.00 0.00 N ATOM 162 CA LEU A 12 3.950 -13.737 25.800 1.00 0.00 C ATOM 163 C LEU A 12 4.893 -14.940 25.766 1.00 0.00 C ATOM 164 O LEU A 12 5.392 -15.386 26.780 1.00 0.00 O ATOM 165 CB LEU A 12 2.516 -14.180 26.090 1.00 0.00 C ATOM 166 CG LEU A 12 2.394 -14.585 27.560 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.999 -13.491 28.444 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.918 -14.770 27.917 1.00 0.00 C ATOM 0 H LEU A 12 3.038 -13.285 23.924 1.00 0.00 H new ATOM 0 HA LEU A 12 4.317 -13.054 26.566 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.822 -13.370 25.866 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.246 -15.018 25.447 1.00 0.00 H new ATOM 0 HG LEU A 12 2.928 -15.521 27.724 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.912 -13.780 29.491 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.051 -13.359 28.190 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.466 -12.555 28.280 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.830 -15.059 28.964 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.384 -13.834 27.753 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.487 -15.549 27.289 1.00 0.00 H new ATOM 180 N HIS A 13 5.140 -15.462 24.596 1.00 0.00 N ATOM 181 CA HIS A 13 6.052 -16.633 24.468 1.00 0.00 C ATOM 182 C HIS A 13 6.766 -16.586 23.112 1.00 0.00 C ATOM 183 O HIS A 13 6.863 -15.548 22.489 1.00 0.00 O ATOM 184 CB HIS A 13 5.138 -17.855 24.553 1.00 0.00 C ATOM 185 CG HIS A 13 4.503 -17.915 25.915 1.00 0.00 C ATOM 186 ND1 HIS A 13 5.249 -18.066 27.074 1.00 0.00 N ATOM 187 CD2 HIS A 13 3.192 -17.847 26.320 1.00 0.00 C ATOM 188 CE1 HIS A 13 4.390 -18.085 28.110 1.00 0.00 C ATOM 189 NE2 HIS A 13 3.123 -17.955 27.706 1.00 0.00 N ATOM 0 H HIS A 13 4.746 -15.125 23.717 1.00 0.00 H new ATOM 0 HA HIS A 13 6.823 -16.651 25.238 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.368 -17.800 23.784 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.710 -18.764 24.367 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.343 -17.728 25.663 1.00 0.00 H new ATOM 0 HE1 HIS A 13 4.689 -18.192 29.142 1.00 0.00 H new ATOM 0 HE2 HIS A 13 2.286 -17.938 28.288 1.00 0.00 H new ATOM 197 N SER A 14 7.262 -17.700 22.649 1.00 0.00 N ATOM 198 CA SER A 14 7.964 -17.711 21.332 1.00 0.00 C ATOM 199 C SER A 14 7.227 -18.625 20.349 1.00 0.00 C ATOM 200 O SER A 14 6.748 -19.683 20.711 1.00 0.00 O ATOM 201 CB SER A 14 9.359 -18.260 21.631 1.00 0.00 C ATOM 202 OG SER A 14 9.252 -19.594 22.104 1.00 0.00 O ATOM 0 H SER A 14 7.213 -18.602 23.123 1.00 0.00 H new ATOM 0 HA SER A 14 8.005 -16.721 20.877 1.00 0.00 H new ATOM 0 HB2 SER A 14 9.974 -18.230 20.731 1.00 0.00 H new ATOM 0 HB3 SER A 14 9.854 -17.637 22.376 1.00 0.00 H new ATOM 0 HG SER A 14 8.413 -19.988 21.785 1.00 0.00 H new ATOM 208 N TYR A 15 7.130 -18.231 19.108 1.00 0.00 N ATOM 209 CA TYR A 15 6.423 -19.084 18.111 1.00 0.00 C ATOM 210 C TYR A 15 7.437 -19.806 17.218 1.00 0.00 C ATOM 211 O TYR A 15 8.591 -19.436 17.148 1.00 0.00 O ATOM 212 CB TYR A 15 5.574 -18.114 17.287 1.00 0.00 C ATOM 213 CG TYR A 15 4.829 -18.880 16.220 1.00 0.00 C ATOM 214 CD1 TYR A 15 5.420 -19.100 14.971 1.00 0.00 C ATOM 215 CD2 TYR A 15 3.545 -19.372 16.483 1.00 0.00 C ATOM 216 CE1 TYR A 15 4.727 -19.811 13.984 1.00 0.00 C ATOM 217 CE2 TYR A 15 2.853 -20.083 15.497 1.00 0.00 C ATOM 218 CZ TYR A 15 3.443 -20.303 14.247 1.00 0.00 C ATOM 219 OH TYR A 15 2.761 -21.004 13.274 1.00 0.00 O ATOM 0 H TYR A 15 7.509 -17.357 18.742 1.00 0.00 H new ATOM 0 HA TYR A 15 5.814 -19.854 18.585 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.869 -17.591 17.933 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.210 -17.356 16.829 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.411 -18.721 14.768 1.00 0.00 H new ATOM 0 HD2 TYR A 15 3.089 -19.203 17.447 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.183 -19.980 13.020 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.863 -20.463 15.700 1.00 0.00 H new ATOM 0 HH TYR A 15 1.885 -21.275 13.620 1.00 0.00 H new ATOM 229 N GLU A 16 7.015 -20.838 16.538 1.00 0.00 N ATOM 230 CA GLU A 16 7.955 -21.584 15.653 1.00 0.00 C ATOM 231 C GLU A 16 7.461 -21.548 14.204 1.00 0.00 C ATOM 232 O GLU A 16 6.313 -21.837 13.932 1.00 0.00 O ATOM 233 CB GLU A 16 7.948 -23.017 16.188 1.00 0.00 C ATOM 234 CG GLU A 16 8.582 -23.952 15.157 1.00 0.00 C ATOM 235 CD GLU A 16 8.667 -25.366 15.734 1.00 0.00 C ATOM 236 OE1 GLU A 16 7.943 -25.645 16.677 1.00 0.00 O ATOM 237 OE2 GLU A 16 9.453 -26.147 15.226 1.00 0.00 O ATOM 0 H GLU A 16 6.060 -21.196 16.557 1.00 0.00 H new ATOM 0 HA GLU A 16 8.956 -21.152 15.656 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.499 -23.068 17.127 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.926 -23.332 16.400 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.990 -23.956 14.242 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.577 -23.596 14.891 1.00 0.00 H new ATOM 244 N PRO A 17 8.353 -21.193 13.321 1.00 0.00 N ATOM 245 CA PRO A 17 7.964 -21.128 11.886 1.00 0.00 C ATOM 246 C PRO A 17 7.999 -22.524 11.260 1.00 0.00 C ATOM 247 O PRO A 17 8.973 -22.916 10.647 1.00 0.00 O ATOM 248 CB PRO A 17 9.021 -20.226 11.256 1.00 0.00 C ATOM 249 CG PRO A 17 10.209 -20.351 12.149 1.00 0.00 C ATOM 250 CD PRO A 17 9.686 -20.610 13.537 1.00 0.00 C ATOM 0 HA PRO A 17 6.952 -20.750 11.739 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.255 -20.541 10.239 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.676 -19.194 11.198 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.855 -21.166 11.821 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.808 -19.440 12.125 1.00 0.00 H new ATOM 0 HD2 PRO A 17 10.335 -21.293 14.085 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.628 -19.690 14.118 1.00 0.00 H new ATOM 258 N SER A 18 6.942 -23.276 11.403 1.00 0.00 N ATOM 259 CA SER A 18 6.916 -24.645 10.811 1.00 0.00 C ATOM 260 C SER A 18 6.604 -24.565 9.315 1.00 0.00 C ATOM 261 O SER A 18 6.558 -25.564 8.624 1.00 0.00 O ATOM 262 CB SER A 18 5.798 -25.377 11.555 1.00 0.00 C ATOM 263 OG SER A 18 4.542 -24.845 11.163 1.00 0.00 O ATOM 0 H SER A 18 6.096 -23.003 11.903 1.00 0.00 H new ATOM 0 HA SER A 18 7.873 -25.158 10.909 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.838 -26.444 11.335 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.931 -25.268 12.631 1.00 0.00 H new ATOM 0 HG SER A 18 3.825 -25.315 11.638 1.00 0.00 H new ATOM 269 N HIS A 19 6.393 -23.381 8.807 1.00 0.00 N ATOM 270 CA HIS A 19 6.088 -23.232 7.355 1.00 0.00 C ATOM 271 C HIS A 19 6.592 -21.878 6.850 1.00 0.00 C ATOM 272 O HIS A 19 6.785 -20.953 7.614 1.00 0.00 O ATOM 273 CB HIS A 19 4.563 -23.307 7.259 1.00 0.00 C ATOM 274 CG HIS A 19 4.104 -24.686 7.644 1.00 0.00 C ATOM 275 ND1 HIS A 19 4.580 -25.826 7.017 1.00 0.00 N ATOM 276 CD2 HIS A 19 3.210 -25.124 8.590 1.00 0.00 C ATOM 277 CE1 HIS A 19 3.977 -26.885 7.587 1.00 0.00 C ATOM 278 NE2 HIS A 19 3.131 -26.513 8.552 1.00 0.00 N ATOM 0 H HIS A 19 6.419 -22.509 9.336 1.00 0.00 H new ATOM 0 HA HIS A 19 6.571 -23.999 6.749 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.110 -22.565 7.916 1.00 0.00 H new ATOM 0 HB3 HIS A 19 4.240 -23.075 6.244 1.00 0.00 H new ATOM 0 HD2 HIS A 19 2.653 -24.487 9.261 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.155 -27.911 7.300 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.552 -27.117 9.135 1.00 0.00 H new ATOM 286 N ASP A 20 6.808 -21.753 5.569 1.00 0.00 N ATOM 287 CA ASP A 20 7.302 -20.457 5.021 1.00 0.00 C ATOM 288 C ASP A 20 6.238 -19.370 5.193 1.00 0.00 C ATOM 289 O ASP A 20 5.100 -19.532 4.800 1.00 0.00 O ATOM 290 CB ASP A 20 7.559 -20.727 3.538 1.00 0.00 C ATOM 291 CG ASP A 20 8.713 -21.721 3.395 1.00 0.00 C ATOM 292 OD1 ASP A 20 9.355 -22.002 4.394 1.00 0.00 O ATOM 293 OD2 ASP A 20 8.938 -22.184 2.288 1.00 0.00 O ATOM 0 H ASP A 20 6.664 -22.490 4.879 1.00 0.00 H new ATOM 0 HA ASP A 20 8.198 -20.107 5.533 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.660 -21.127 3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.800 -19.797 3.024 1.00 0.00 H new ATOM 298 N GLY A 21 6.600 -18.260 5.778 1.00 0.00 N ATOM 299 CA GLY A 21 5.610 -17.164 5.975 1.00 0.00 C ATOM 300 C GLY A 21 5.224 -17.084 7.453 1.00 0.00 C ATOM 301 O GLY A 21 4.582 -16.149 7.887 1.00 0.00 O ATOM 0 H GLY A 21 7.538 -18.066 6.128 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.033 -16.214 5.647 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.724 -17.346 5.366 1.00 0.00 H new ATOM 305 N ASP A 22 5.608 -18.060 8.230 1.00 0.00 N ATOM 306 CA ASP A 22 5.259 -18.040 9.681 1.00 0.00 C ATOM 307 C ASP A 22 6.264 -17.184 10.458 1.00 0.00 C ATOM 308 O ASP A 22 7.408 -17.045 10.070 1.00 0.00 O ATOM 309 CB ASP A 22 5.342 -19.500 10.126 1.00 0.00 C ATOM 310 CG ASP A 22 4.247 -20.309 9.429 1.00 0.00 C ATOM 311 OD1 ASP A 22 3.548 -19.739 8.607 1.00 0.00 O ATOM 312 OD2 ASP A 22 4.124 -21.486 9.729 1.00 0.00 O ATOM 0 H ASP A 22 6.148 -18.870 7.924 1.00 0.00 H new ATOM 0 HA ASP A 22 4.273 -17.612 9.863 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.322 -19.910 9.883 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.227 -19.569 11.208 1.00 0.00 H new ATOM 317 N LEU A 23 5.846 -16.614 11.555 1.00 0.00 N ATOM 318 CA LEU A 23 6.776 -15.769 12.360 1.00 0.00 C ATOM 319 C LEU A 23 7.036 -16.424 13.720 1.00 0.00 C ATOM 320 O LEU A 23 6.128 -16.648 14.495 1.00 0.00 O ATOM 321 CB LEU A 23 6.049 -14.436 12.537 1.00 0.00 C ATOM 322 CG LEU A 23 7.055 -13.357 12.947 1.00 0.00 C ATOM 323 CD1 LEU A 23 8.206 -13.324 11.940 1.00 0.00 C ATOM 324 CD2 LEU A 23 6.360 -11.994 12.969 1.00 0.00 C ATOM 0 H LEU A 23 4.901 -16.696 11.929 1.00 0.00 H new ATOM 0 HA LEU A 23 7.744 -15.642 11.876 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.554 -14.153 11.608 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.272 -14.531 13.296 1.00 0.00 H new ATOM 0 HG LEU A 23 7.445 -13.583 13.939 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.922 -12.556 12.231 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.702 -14.295 11.922 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.815 -13.098 10.948 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.076 -11.225 13.261 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.970 -11.768 11.977 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.539 -12.016 13.685 1.00 0.00 H new ATOM 336 N GLY A 24 8.269 -16.735 14.013 1.00 0.00 N ATOM 337 CA GLY A 24 8.586 -17.378 15.321 1.00 0.00 C ATOM 338 C GLY A 24 9.188 -16.339 16.270 1.00 0.00 C ATOM 339 O GLY A 24 10.282 -16.506 16.772 1.00 0.00 O ATOM 0 H GLY A 24 9.071 -16.572 13.404 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.682 -17.804 15.757 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.286 -18.200 15.174 1.00 0.00 H new ATOM 343 N PHE A 25 8.488 -15.266 16.517 1.00 0.00 N ATOM 344 CA PHE A 25 9.021 -14.211 17.427 1.00 0.00 C ATOM 345 C PHE A 25 9.495 -14.820 18.750 1.00 0.00 C ATOM 346 O PHE A 25 9.278 -15.983 19.026 1.00 0.00 O ATOM 347 CB PHE A 25 7.835 -13.275 17.670 1.00 0.00 C ATOM 348 CG PHE A 25 6.648 -14.078 18.153 1.00 0.00 C ATOM 349 CD1 PHE A 25 6.516 -14.382 19.514 1.00 0.00 C ATOM 350 CD2 PHE A 25 5.679 -14.518 17.242 1.00 0.00 C ATOM 351 CE1 PHE A 25 5.417 -15.126 19.962 1.00 0.00 C ATOM 352 CE2 PHE A 25 4.581 -15.261 17.690 1.00 0.00 C ATOM 353 CZ PHE A 25 4.450 -15.565 19.050 1.00 0.00 C ATOM 0 H PHE A 25 7.566 -15.073 16.126 1.00 0.00 H new ATOM 0 HA PHE A 25 9.880 -13.696 16.996 1.00 0.00 H new ATOM 0 HB2 PHE A 25 8.101 -12.519 18.409 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.581 -12.747 16.751 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.262 -14.043 20.218 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.779 -14.283 16.193 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.316 -15.361 21.011 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.835 -15.600 16.987 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.603 -16.138 19.396 1.00 0.00 H new ATOM 363 N GLU A 26 10.138 -14.032 19.569 1.00 0.00 N ATOM 364 CA GLU A 26 10.625 -14.550 20.880 1.00 0.00 C ATOM 365 C GLU A 26 9.714 -14.058 22.008 1.00 0.00 C ATOM 366 O GLU A 26 8.770 -13.324 21.783 1.00 0.00 O ATOM 367 CB GLU A 26 12.032 -13.970 21.037 1.00 0.00 C ATOM 368 CG GLU A 26 12.908 -14.434 19.870 1.00 0.00 C ATOM 369 CD GLU A 26 14.317 -13.862 20.033 1.00 0.00 C ATOM 370 OE1 GLU A 26 14.494 -13.006 20.883 1.00 0.00 O ATOM 371 OE2 GLU A 26 15.197 -14.292 19.304 1.00 0.00 O ATOM 0 H GLU A 26 10.347 -13.051 19.386 1.00 0.00 H new ATOM 0 HA GLU A 26 10.627 -15.639 20.921 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.987 -12.881 21.062 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.467 -14.293 21.983 1.00 0.00 H new ATOM 0 HG2 GLU A 26 12.947 -15.523 19.841 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.477 -14.105 18.924 1.00 0.00 H new ATOM 378 N LYS A 27 9.991 -14.450 23.221 1.00 0.00 N ATOM 379 CA LYS A 27 9.141 -14.001 24.360 1.00 0.00 C ATOM 380 C LYS A 27 9.344 -12.505 24.618 1.00 0.00 C ATOM 381 O LYS A 27 10.448 -12.046 24.830 1.00 0.00 O ATOM 382 CB LYS A 27 9.619 -14.820 25.559 1.00 0.00 C ATOM 383 CG LYS A 27 9.641 -16.304 25.187 1.00 0.00 C ATOM 384 CD LYS A 27 9.702 -17.148 26.461 1.00 0.00 C ATOM 385 CE LYS A 27 9.681 -18.632 26.092 1.00 0.00 C ATOM 386 NZ LYS A 27 11.096 -19.080 26.222 1.00 0.00 N ATOM 0 H LYS A 27 10.768 -15.061 23.473 1.00 0.00 H new ATOM 0 HA LYS A 27 8.079 -14.147 24.163 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.615 -14.495 25.861 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.958 -14.657 26.411 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.751 -16.559 24.611 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.502 -16.519 24.554 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.607 -16.915 27.021 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.857 -16.911 27.107 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.026 -19.195 26.757 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.311 -18.782 25.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.163 -20.090 25.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.695 -18.531 25.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.419 -18.932 27.200 1.00 0.00 H new ATOM 400 N GLY A 28 8.283 -11.746 24.606 1.00 0.00 N ATOM 401 CA GLY A 28 8.410 -10.283 24.857 1.00 0.00 C ATOM 402 C GLY A 28 8.571 -9.542 23.529 1.00 0.00 C ATOM 403 O GLY A 28 8.476 -8.332 23.469 1.00 0.00 O ATOM 0 H GLY A 28 7.333 -12.076 24.433 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.529 -9.917 25.384 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.269 -10.088 25.499 1.00 0.00 H new ATOM 407 N GLU A 29 8.819 -10.253 22.463 1.00 0.00 N ATOM 408 CA GLU A 29 8.991 -9.576 21.145 1.00 0.00 C ATOM 409 C GLU A 29 7.726 -8.798 20.776 1.00 0.00 C ATOM 410 O GLU A 29 6.634 -9.330 20.784 1.00 0.00 O ATOM 411 CB GLU A 29 9.234 -10.706 20.145 1.00 0.00 C ATOM 412 CG GLU A 29 9.514 -10.110 18.763 1.00 0.00 C ATOM 413 CD GLU A 29 9.931 -11.223 17.801 1.00 0.00 C ATOM 414 OE1 GLU A 29 10.785 -12.011 18.174 1.00 0.00 O ATOM 415 OE2 GLU A 29 9.391 -11.269 16.710 1.00 0.00 O ATOM 0 H GLU A 29 8.910 -11.269 22.447 1.00 0.00 H new ATOM 0 HA GLU A 29 9.811 -8.858 21.157 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.077 -11.317 20.467 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.364 -11.361 20.101 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.625 -9.604 18.387 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.302 -9.360 18.832 1.00 0.00 H new ATOM 422 N GLN A 30 7.864 -7.541 20.451 1.00 0.00 N ATOM 423 CA GLN A 30 6.669 -6.732 20.080 1.00 0.00 C ATOM 424 C GLN A 30 6.273 -7.021 18.630 1.00 0.00 C ATOM 425 O GLN A 30 7.100 -7.019 17.738 1.00 0.00 O ATOM 426 CB GLN A 30 7.110 -5.277 20.236 1.00 0.00 C ATOM 427 CG GLN A 30 7.559 -5.032 21.678 1.00 0.00 C ATOM 428 CD GLN A 30 8.176 -3.636 21.791 1.00 0.00 C ATOM 429 OE1 GLN A 30 8.830 -3.173 20.878 1.00 0.00 O ATOM 430 NE2 GLN A 30 7.994 -2.944 22.881 1.00 0.00 N ATOM 0 H GLN A 30 8.752 -7.040 20.427 1.00 0.00 H new ATOM 0 HA GLN A 30 5.803 -6.961 20.701 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.926 -5.057 19.547 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.289 -4.607 19.981 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.709 -5.121 22.355 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.286 -5.788 21.977 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.445 -3.334 23.647 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.401 -2.013 22.968 1.00 0.00 H new ATOM 439 N LEU A 31 5.017 -7.272 18.386 1.00 0.00 N ATOM 440 CA LEU A 31 4.573 -7.563 16.993 1.00 0.00 C ATOM 441 C LEU A 31 3.343 -6.727 16.640 1.00 0.00 C ATOM 442 O LEU A 31 2.553 -6.373 17.493 1.00 0.00 O ATOM 443 CB LEU A 31 4.224 -9.051 16.993 1.00 0.00 C ATOM 444 CG LEU A 31 5.356 -9.844 17.647 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.888 -11.276 17.912 1.00 0.00 C ATOM 446 CD2 LEU A 31 6.567 -9.866 16.713 1.00 0.00 C ATOM 0 H LEU A 31 4.279 -7.288 19.090 1.00 0.00 H new ATOM 0 HA LEU A 31 5.341 -7.321 16.258 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.292 -9.216 17.533 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.066 -9.398 15.972 1.00 0.00 H new ATOM 0 HG LEU A 31 5.633 -9.373 18.590 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.694 -11.842 18.378 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.025 -11.259 18.577 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.611 -11.748 16.970 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.375 -10.431 17.178 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.291 -10.337 15.770 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.900 -8.845 16.525 1.00 0.00 H new ATOM 458 N ARG A 32 3.173 -6.413 15.386 1.00 0.00 N ATOM 459 CA ARG A 32 1.989 -5.604 14.973 1.00 0.00 C ATOM 460 C ARG A 32 0.901 -6.531 14.430 1.00 0.00 C ATOM 461 O ARG A 32 1.168 -7.411 13.638 1.00 0.00 O ATOM 462 CB ARG A 32 2.488 -4.670 13.864 1.00 0.00 C ATOM 463 CG ARG A 32 3.923 -4.226 14.156 1.00 0.00 C ATOM 464 CD ARG A 32 4.342 -3.157 13.145 1.00 0.00 C ATOM 465 NE ARG A 32 3.264 -2.133 13.205 1.00 0.00 N ATOM 466 CZ ARG A 32 3.271 -1.232 14.150 1.00 0.00 C ATOM 467 NH1 ARG A 32 3.868 -0.089 13.955 1.00 0.00 N ATOM 468 NH2 ARG A 32 2.683 -1.477 15.288 1.00 0.00 N ATOM 0 H ARG A 32 3.802 -6.681 14.629 1.00 0.00 H new ATOM 0 HA ARG A 32 1.566 -5.043 15.806 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.446 -5.180 12.902 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.837 -3.799 13.792 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.994 -3.831 15.169 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.598 -5.080 14.099 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.310 -2.727 13.402 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.435 -3.575 12.143 1.00 0.00 H new ATOM 0 HE ARG A 32 2.519 -2.135 12.508 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.329 0.100 13.065 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.874 0.616 14.693 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.218 -2.372 15.439 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.688 -0.774 16.027 1.00 0.00 H new ATOM 482 N ILE A 33 -0.321 -6.347 14.847 1.00 0.00 N ATOM 483 CA ILE A 33 -1.412 -7.228 14.342 1.00 0.00 C ATOM 484 C ILE A 33 -1.812 -6.809 12.924 1.00 0.00 C ATOM 485 O ILE A 33 -2.265 -5.705 12.696 1.00 0.00 O ATOM 486 CB ILE A 33 -2.574 -7.021 15.315 1.00 0.00 C ATOM 487 CG1 ILE A 33 -2.075 -7.193 16.751 1.00 0.00 C ATOM 488 CG2 ILE A 33 -3.667 -8.053 15.031 1.00 0.00 C ATOM 489 CD1 ILE A 33 -3.247 -7.032 17.721 1.00 0.00 C ATOM 0 H ILE A 33 -0.611 -5.629 15.512 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.110 -8.274 14.291 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.978 -6.017 15.188 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.620 -8.176 16.874 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.304 -6.455 16.970 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.495 -7.906 15.724 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.024 -7.933 14.008 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.262 -9.057 15.158 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.892 -7.155 18.744 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.682 -6.039 17.604 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.003 -7.787 17.507 1.00 0.00 H new ATOM 501 N LEU A 34 -1.646 -7.684 11.971 1.00 0.00 N ATOM 502 CA LEU A 34 -2.014 -7.339 10.568 1.00 0.00 C ATOM 503 C LEU A 34 -3.425 -7.841 10.251 1.00 0.00 C ATOM 504 O LEU A 34 -4.177 -7.202 9.544 1.00 0.00 O ATOM 505 CB LEU A 34 -0.983 -8.060 9.699 1.00 0.00 C ATOM 506 CG LEU A 34 0.408 -7.482 9.968 1.00 0.00 C ATOM 507 CD1 LEU A 34 1.438 -8.210 9.101 1.00 0.00 C ATOM 508 CD2 LEU A 34 0.415 -5.991 9.627 1.00 0.00 C ATOM 0 H LEU A 34 -1.271 -8.624 12.103 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.013 -6.263 10.395 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.992 -9.128 9.916 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.238 -7.947 8.645 1.00 0.00 H new ATOM 0 HG LEU A 34 0.660 -7.614 11.020 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.429 -7.799 9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.433 -9.272 9.344 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.187 -8.077 8.049 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.406 -5.579 9.818 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.163 -5.857 8.575 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.319 -5.473 10.244 1.00 0.00 H new ATOM 520 N GLU A 35 -3.788 -8.982 10.769 1.00 0.00 N ATOM 521 CA GLU A 35 -5.149 -9.525 10.496 1.00 0.00 C ATOM 522 C GLU A 35 -5.731 -10.156 11.764 1.00 0.00 C ATOM 523 O GLU A 35 -5.011 -10.610 12.630 1.00 0.00 O ATOM 524 CB GLU A 35 -4.942 -10.587 9.416 1.00 0.00 C ATOM 525 CG GLU A 35 -4.289 -9.947 8.188 1.00 0.00 C ATOM 526 CD GLU A 35 -5.158 -8.789 7.694 1.00 0.00 C ATOM 527 OE1 GLU A 35 -6.319 -8.743 8.068 1.00 0.00 O ATOM 528 OE2 GLU A 35 -4.648 -7.968 6.950 1.00 0.00 O ATOM 0 H GLU A 35 -3.201 -9.562 11.369 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.847 -8.750 10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.313 -11.391 9.798 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.898 -11.033 9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.292 -9.586 8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.169 -10.689 7.398 1.00 0.00 H new ATOM 535 N GLN A 36 -7.030 -10.188 11.877 1.00 0.00 N ATOM 536 CA GLN A 36 -7.659 -10.791 13.087 1.00 0.00 C ATOM 537 C GLN A 36 -8.828 -11.692 12.682 1.00 0.00 C ATOM 538 O GLN A 36 -9.941 -11.528 13.140 1.00 0.00 O ATOM 539 CB GLN A 36 -8.158 -9.602 13.909 1.00 0.00 C ATOM 540 CG GLN A 36 -6.973 -8.714 14.293 1.00 0.00 C ATOM 541 CD GLN A 36 -7.489 -7.434 14.952 1.00 0.00 C ATOM 542 OE1 GLN A 36 -8.584 -6.990 14.670 1.00 0.00 O ATOM 543 NE2 GLN A 36 -6.739 -6.815 15.824 1.00 0.00 N ATOM 0 H GLN A 36 -7.684 -9.823 11.184 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.961 -11.411 13.650 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.885 -9.028 13.334 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.668 -9.954 14.806 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.312 -9.247 14.976 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.386 -8.469 13.408 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -5.819 -7.187 16.061 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.073 -5.959 16.268 1.00 0.00 H new ATOM 552 N SER A 37 -8.582 -12.644 11.825 1.00 0.00 N ATOM 553 CA SER A 37 -9.679 -13.558 11.389 1.00 0.00 C ATOM 554 C SER A 37 -9.333 -15.005 11.747 1.00 0.00 C ATOM 555 O SER A 37 -8.223 -15.456 11.548 1.00 0.00 O ATOM 556 CB SER A 37 -9.758 -13.385 9.872 1.00 0.00 C ATOM 557 OG SER A 37 -10.014 -12.022 9.563 1.00 0.00 O ATOM 0 H SER A 37 -7.670 -12.830 11.407 1.00 0.00 H new ATOM 0 HA SER A 37 -10.627 -13.328 11.875 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.824 -13.704 9.410 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.548 -14.016 9.464 1.00 0.00 H new ATOM 0 HG SER A 37 -10.063 -11.911 8.591 1.00 0.00 H new ATOM 563 N GLY A 38 -10.275 -15.736 12.276 1.00 0.00 N ATOM 564 CA GLY A 38 -9.999 -17.153 12.646 1.00 0.00 C ATOM 565 C GLY A 38 -9.166 -17.192 13.929 1.00 0.00 C ATOM 566 O GLY A 38 -8.805 -16.169 14.477 1.00 0.00 O ATOM 0 H GLY A 38 -11.224 -15.414 12.468 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.936 -17.691 12.791 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.466 -17.654 11.838 1.00 0.00 H new ATOM 570 N GLU A 39 -8.861 -18.365 14.412 1.00 0.00 N ATOM 571 CA GLU A 39 -8.052 -18.469 15.661 1.00 0.00 C ATOM 572 C GLU A 39 -6.646 -17.908 15.433 1.00 0.00 C ATOM 573 O GLU A 39 -6.041 -17.343 16.322 1.00 0.00 O ATOM 574 CB GLU A 39 -7.988 -19.967 15.965 1.00 0.00 C ATOM 575 CG GLU A 39 -9.404 -20.505 16.179 1.00 0.00 C ATOM 576 CD GLU A 39 -9.336 -21.999 16.504 1.00 0.00 C ATOM 577 OE1 GLU A 39 -8.262 -22.564 16.381 1.00 0.00 O ATOM 578 OE2 GLU A 39 -10.360 -22.554 16.868 1.00 0.00 O ATOM 0 H GLU A 39 -9.136 -19.255 13.997 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.488 -17.902 16.483 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.507 -20.496 15.142 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.382 -20.143 16.854 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.891 -19.966 16.992 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.006 -20.343 15.285 1.00 0.00 H new ATOM 585 N TRP A 40 -6.121 -18.057 14.247 1.00 0.00 N ATOM 586 CA TRP A 40 -4.754 -17.532 13.965 1.00 0.00 C ATOM 587 C TRP A 40 -4.840 -16.106 13.412 1.00 0.00 C ATOM 588 O TRP A 40 -5.710 -15.786 12.628 1.00 0.00 O ATOM 589 CB TRP A 40 -4.174 -18.478 12.914 1.00 0.00 C ATOM 590 CG TRP A 40 -3.922 -19.815 13.532 1.00 0.00 C ATOM 591 CD1 TRP A 40 -4.729 -20.893 13.409 1.00 0.00 C ATOM 592 CD2 TRP A 40 -2.801 -20.235 14.364 1.00 0.00 C ATOM 593 NE1 TRP A 40 -4.177 -21.948 14.113 1.00 0.00 N ATOM 594 CE2 TRP A 40 -2.988 -21.592 14.719 1.00 0.00 C ATOM 595 CE3 TRP A 40 -1.654 -19.577 14.840 1.00 0.00 C ATOM 596 CZ2 TRP A 40 -2.068 -22.272 15.518 1.00 0.00 C ATOM 597 CZ3 TRP A 40 -0.727 -20.258 15.644 1.00 0.00 C ATOM 598 CH2 TRP A 40 -0.933 -21.602 15.983 1.00 0.00 C ATOM 0 H TRP A 40 -6.579 -18.519 13.462 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.135 -17.490 14.861 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.865 -18.577 12.077 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.246 -18.070 12.514 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.654 -20.925 12.852 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.597 -22.875 14.177 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.485 -18.541 14.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.232 -23.308 15.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 0.151 -19.743 16.004 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.216 -22.119 16.603 1.00 0.00 H new ATOM 609 N TRP A 41 -3.941 -15.249 13.813 1.00 0.00 N ATOM 610 CA TRP A 41 -3.972 -13.846 13.308 1.00 0.00 C ATOM 611 C TRP A 41 -2.649 -13.503 12.617 1.00 0.00 C ATOM 612 O TRP A 41 -1.614 -14.056 12.930 1.00 0.00 O ATOM 613 CB TRP A 41 -4.158 -12.980 14.555 1.00 0.00 C ATOM 614 CG TRP A 41 -5.562 -13.105 15.051 1.00 0.00 C ATOM 615 CD1 TRP A 41 -6.596 -13.612 14.342 1.00 0.00 C ATOM 616 CD2 TRP A 41 -6.104 -12.722 16.349 1.00 0.00 C ATOM 617 NE1 TRP A 41 -7.738 -13.567 15.122 1.00 0.00 N ATOM 618 CE2 TRP A 41 -7.485 -13.026 16.368 1.00 0.00 C ATOM 619 CE3 TRP A 41 -5.536 -12.147 17.500 1.00 0.00 C ATOM 620 CZ2 TRP A 41 -8.276 -12.770 17.488 1.00 0.00 C ATOM 621 CZ3 TRP A 41 -6.328 -11.887 18.630 1.00 0.00 C ATOM 622 CH2 TRP A 41 -7.695 -12.198 18.625 1.00 0.00 C ATOM 0 H TRP A 41 -3.187 -15.459 14.467 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.766 -13.689 12.577 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.459 -13.289 15.332 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.936 -11.939 14.323 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -6.540 -13.990 13.332 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.654 -13.893 14.815 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.484 -11.904 17.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -9.329 -13.011 17.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.881 -11.445 19.508 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -8.299 -11.996 19.498 1.00 0.00 H new ATOM 633 N LYS A 42 -2.674 -12.589 11.687 1.00 0.00 N ATOM 634 CA LYS A 42 -1.417 -12.206 10.986 1.00 0.00 C ATOM 635 C LYS A 42 -0.764 -11.027 11.711 1.00 0.00 C ATOM 636 O LYS A 42 -1.437 -10.195 12.288 1.00 0.00 O ATOM 637 CB LYS A 42 -1.853 -11.798 9.577 1.00 0.00 C ATOM 638 CG LYS A 42 -0.615 -11.557 8.710 1.00 0.00 C ATOM 639 CD LYS A 42 -1.046 -11.002 7.350 1.00 0.00 C ATOM 640 CE LYS A 42 0.152 -10.999 6.397 1.00 0.00 C ATOM 641 NZ LYS A 42 0.414 -9.559 6.118 1.00 0.00 N ATOM 0 H LYS A 42 -3.510 -12.091 11.382 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.688 -13.016 10.961 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.473 -12.579 9.136 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.461 -10.895 9.620 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.058 -10.856 9.204 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.064 -12.488 8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.852 -11.609 6.936 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.435 -9.990 7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.020 -11.478 6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.071 -11.545 5.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.222 -9.359 5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.205 -8.972 6.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.408 -9.339 6.331 1.00 0.00 H new ATOM 655 N ALA A 43 0.538 -10.944 11.694 1.00 0.00 N ATOM 656 CA ALA A 43 1.213 -9.813 12.392 1.00 0.00 C ATOM 657 C ALA A 43 2.591 -9.547 11.780 1.00 0.00 C ATOM 658 O ALA A 43 3.023 -10.234 10.876 1.00 0.00 O ATOM 659 CB ALA A 43 1.350 -10.269 13.844 1.00 0.00 C ATOM 0 H ALA A 43 1.161 -11.606 11.230 1.00 0.00 H new ATOM 0 HA ALA A 43 0.649 -8.884 12.306 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.840 -9.488 14.426 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.361 -10.465 14.259 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.947 -11.180 13.884 1.00 0.00 H new ATOM 665 N GLN A 44 3.285 -8.554 12.269 1.00 0.00 N ATOM 666 CA GLN A 44 4.635 -8.243 11.719 1.00 0.00 C ATOM 667 C GLN A 44 5.505 -7.615 12.810 1.00 0.00 C ATOM 668 O GLN A 44 5.010 -7.103 13.792 1.00 0.00 O ATOM 669 CB GLN A 44 4.378 -7.241 10.589 1.00 0.00 C ATOM 670 CG GLN A 44 5.672 -6.489 10.260 1.00 0.00 C ATOM 671 CD GLN A 44 5.371 -5.376 9.254 1.00 0.00 C ATOM 672 OE1 GLN A 44 4.234 -5.176 8.874 1.00 0.00 O ATOM 673 NE2 GLN A 44 6.348 -4.638 8.804 1.00 0.00 N ATOM 0 H GLN A 44 2.975 -7.945 13.026 1.00 0.00 H new ATOM 0 HA GLN A 44 5.158 -9.130 11.362 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.014 -7.762 9.704 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.602 -6.536 10.885 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.101 -6.067 11.169 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.411 -7.177 9.848 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.302 -4.806 9.123 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.158 -3.893 8.133 1.00 0.00 H new ATOM 682 N SER A 45 6.798 -7.650 12.649 1.00 0.00 N ATOM 683 CA SER A 45 7.684 -7.049 13.684 1.00 0.00 C ATOM 684 C SER A 45 7.788 -5.538 13.468 1.00 0.00 C ATOM 685 O SER A 45 7.739 -5.056 12.354 1.00 0.00 O ATOM 686 CB SER A 45 9.044 -7.717 13.480 1.00 0.00 C ATOM 687 OG SER A 45 9.841 -7.533 14.642 1.00 0.00 O ATOM 0 H SER A 45 7.277 -8.066 11.851 1.00 0.00 H new ATOM 0 HA SER A 45 7.306 -7.202 14.695 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.913 -8.781 13.281 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.545 -7.289 12.611 1.00 0.00 H new ATOM 0 HG SER A 45 10.557 -8.202 14.657 1.00 0.00 H new ATOM 693 N LEU A 46 7.932 -4.787 14.523 1.00 0.00 N ATOM 694 CA LEU A 46 8.041 -3.308 14.375 1.00 0.00 C ATOM 695 C LEU A 46 9.510 -2.903 14.253 1.00 0.00 C ATOM 696 O LEU A 46 9.836 -1.842 13.758 1.00 0.00 O ATOM 697 CB LEU A 46 7.427 -2.734 15.654 1.00 0.00 C ATOM 698 CG LEU A 46 7.497 -1.206 15.611 1.00 0.00 C ATOM 699 CD1 LEU A 46 6.481 -0.678 14.596 1.00 0.00 C ATOM 700 CD2 LEU A 46 7.173 -0.644 16.997 1.00 0.00 C ATOM 0 H LEU A 46 7.979 -5.132 15.482 1.00 0.00 H new ATOM 0 HA LEU A 46 7.533 -2.940 13.483 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.391 -3.059 15.751 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.961 -3.109 16.527 1.00 0.00 H new ATOM 0 HG LEU A 46 8.499 -0.895 15.317 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.530 0.410 14.565 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.710 -1.080 13.609 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.478 -0.988 14.890 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.222 0.445 16.969 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.170 -0.954 17.290 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.896 -1.021 17.721 1.00 0.00 H new ATOM 712 N THR A 47 10.401 -3.741 14.707 1.00 0.00 N ATOM 713 CA THR A 47 11.851 -3.407 14.623 1.00 0.00 C ATOM 714 C THR A 47 12.534 -4.265 13.555 1.00 0.00 C ATOM 715 O THR A 47 13.518 -3.865 12.965 1.00 0.00 O ATOM 716 CB THR A 47 12.413 -3.725 16.009 1.00 0.00 C ATOM 717 OG1 THR A 47 11.969 -5.013 16.413 1.00 0.00 O ATOM 718 CG2 THR A 47 11.928 -2.677 17.012 1.00 0.00 C ATOM 0 H THR A 47 10.188 -4.643 15.133 1.00 0.00 H new ATOM 0 HA THR A 47 12.018 -2.366 14.345 1.00 0.00 H new ATOM 0 HB THR A 47 13.502 -3.711 15.972 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.329 -5.220 17.301 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.329 -2.905 17.999 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.270 -1.690 16.701 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.839 -2.688 17.052 1.00 0.00 H new ATOM 726 N THR A 48 12.027 -5.442 13.302 1.00 0.00 N ATOM 727 CA THR A 48 12.661 -6.316 12.274 1.00 0.00 C ATOM 728 C THR A 48 11.972 -6.127 10.921 1.00 0.00 C ATOM 729 O THR A 48 12.583 -6.257 9.880 1.00 0.00 O ATOM 730 CB THR A 48 12.457 -7.742 12.788 1.00 0.00 C ATOM 731 OG1 THR A 48 12.773 -7.795 14.172 1.00 0.00 O ATOM 732 CG2 THR A 48 13.366 -8.699 12.017 1.00 0.00 C ATOM 0 H THR A 48 11.205 -5.834 13.761 1.00 0.00 H new ATOM 0 HA THR A 48 13.716 -6.083 12.126 1.00 0.00 H new ATOM 0 HB THR A 48 11.418 -8.036 12.642 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.641 -8.708 14.503 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.220 -9.715 12.384 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.121 -8.658 10.956 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.406 -8.408 12.161 1.00 0.00 H new ATOM 740 N GLY A 49 10.703 -5.827 10.929 1.00 0.00 N ATOM 741 CA GLY A 49 9.977 -5.636 9.642 1.00 0.00 C ATOM 742 C GLY A 49 9.603 -7.003 9.066 1.00 0.00 C ATOM 743 O GLY A 49 9.405 -7.156 7.878 1.00 0.00 O ATOM 0 H GLY A 49 10.138 -5.706 11.769 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.080 -5.038 9.802 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.602 -5.090 8.936 1.00 0.00 H new ATOM 747 N GLN A 50 9.503 -7.998 9.905 1.00 0.00 N ATOM 748 CA GLN A 50 9.139 -9.357 9.411 1.00 0.00 C ATOM 749 C GLN A 50 7.642 -9.601 9.605 1.00 0.00 C ATOM 750 O GLN A 50 7.079 -9.282 10.633 1.00 0.00 O ATOM 751 CB GLN A 50 9.955 -10.323 10.271 1.00 0.00 C ATOM 752 CG GLN A 50 9.786 -11.747 9.738 1.00 0.00 C ATOM 753 CD GLN A 50 10.581 -11.903 8.440 1.00 0.00 C ATOM 754 OE1 GLN A 50 11.772 -11.658 8.411 1.00 0.00 O ATOM 755 NE2 GLN A 50 9.971 -12.303 7.359 1.00 0.00 N ATOM 0 H GLN A 50 9.658 -7.929 10.911 1.00 0.00 H new ATOM 0 HA GLN A 50 9.349 -9.482 8.349 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.008 -10.040 10.256 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.626 -10.270 11.309 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.133 -12.468 10.479 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.732 -11.957 9.559 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.972 -12.508 7.383 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.493 -12.410 6.489 1.00 0.00 H new ATOM 764 N GLU A 51 6.989 -10.164 8.626 1.00 0.00 N ATOM 765 CA GLU A 51 5.527 -10.423 8.760 1.00 0.00 C ATOM 766 C GLU A 51 5.247 -11.927 8.693 1.00 0.00 C ATOM 767 O GLU A 51 5.797 -12.635 7.872 1.00 0.00 O ATOM 768 CB GLU A 51 4.884 -9.709 7.570 1.00 0.00 C ATOM 769 CG GLU A 51 5.505 -8.321 7.405 1.00 0.00 C ATOM 770 CD GLU A 51 4.787 -7.570 6.282 1.00 0.00 C ATOM 771 OE1 GLU A 51 4.231 -8.229 5.418 1.00 0.00 O ATOM 772 OE2 GLU A 51 4.804 -6.351 6.304 1.00 0.00 O ATOM 0 H GLU A 51 7.403 -10.456 7.741 1.00 0.00 H new ATOM 0 HA GLU A 51 5.133 -10.066 9.712 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.029 -10.293 6.661 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.809 -9.621 7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.427 -7.763 8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.567 -8.411 7.176 1.00 0.00 H new ATOM 779 N GLY A 52 4.394 -12.421 9.548 1.00 0.00 N ATOM 780 CA GLY A 52 4.079 -13.878 9.529 1.00 0.00 C ATOM 781 C GLY A 52 2.852 -14.148 10.402 1.00 0.00 C ATOM 782 O GLY A 52 2.472 -13.337 11.224 1.00 0.00 O ATOM 0 H GLY A 52 3.902 -11.879 10.258 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.890 -14.206 8.507 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.932 -14.450 9.895 1.00 0.00 H new ATOM 786 N PHE A 53 2.230 -15.282 10.231 1.00 0.00 N ATOM 787 CA PHE A 53 1.026 -15.606 11.050 1.00 0.00 C ATOM 788 C PHE A 53 1.416 -15.774 12.520 1.00 0.00 C ATOM 789 O PHE A 53 2.458 -16.311 12.839 1.00 0.00 O ATOM 790 CB PHE A 53 0.503 -16.924 10.481 1.00 0.00 C ATOM 791 CG PHE A 53 0.068 -16.715 9.050 1.00 0.00 C ATOM 792 CD1 PHE A 53 -1.190 -16.168 8.774 1.00 0.00 C ATOM 793 CD2 PHE A 53 0.924 -17.068 7.999 1.00 0.00 C ATOM 794 CE1 PHE A 53 -1.593 -15.972 7.448 1.00 0.00 C ATOM 795 CE2 PHE A 53 0.521 -16.872 6.673 1.00 0.00 C ATOM 796 CZ PHE A 53 -0.737 -16.324 6.397 1.00 0.00 C ATOM 0 H PHE A 53 2.503 -15.999 9.559 1.00 0.00 H new ATOM 0 HA PHE A 53 0.275 -14.817 11.009 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.280 -17.687 10.529 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.335 -17.284 11.078 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.850 -15.897 9.584 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.895 -17.491 8.212 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.564 -15.549 7.235 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.181 -17.144 5.862 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.047 -16.173 5.374 1.00 0.00 H new ATOM 806 N ILE A 54 0.587 -15.318 13.418 1.00 0.00 N ATOM 807 CA ILE A 54 0.910 -15.451 14.867 1.00 0.00 C ATOM 808 C ILE A 54 -0.307 -15.973 15.633 1.00 0.00 C ATOM 809 O ILE A 54 -1.432 -15.638 15.316 1.00 0.00 O ATOM 810 CB ILE A 54 1.269 -14.036 15.324 1.00 0.00 C ATOM 811 CG1 ILE A 54 0.013 -13.162 15.313 1.00 0.00 C ATOM 812 CG2 ILE A 54 2.309 -13.444 14.373 1.00 0.00 C ATOM 813 CD1 ILE A 54 -0.385 -12.825 16.752 1.00 0.00 C ATOM 0 H ILE A 54 -0.300 -14.859 13.211 1.00 0.00 H new ATOM 0 HA ILE A 54 1.723 -16.155 15.048 1.00 0.00 H new ATOM 0 HB ILE A 54 1.677 -14.072 16.334 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.199 -12.246 14.752 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.802 -13.684 14.811 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.566 -12.436 14.697 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.204 -14.066 14.379 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.900 -13.407 13.363 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.280 -12.202 16.746 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.588 -13.746 17.299 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.429 -12.286 17.238 1.00 0.00 H new ATOM 825 N PRO A 55 -0.037 -16.780 16.622 1.00 0.00 N ATOM 826 CA PRO A 55 -1.156 -17.337 17.425 1.00 0.00 C ATOM 827 C PRO A 55 -1.782 -16.245 18.296 1.00 0.00 C ATOM 828 O PRO A 55 -1.137 -15.285 18.665 1.00 0.00 O ATOM 829 CB PRO A 55 -0.499 -18.411 18.284 1.00 0.00 C ATOM 830 CG PRO A 55 0.931 -18.001 18.382 1.00 0.00 C ATOM 831 CD PRO A 55 1.263 -17.252 17.119 1.00 0.00 C ATOM 0 HA PRO A 55 -1.962 -17.736 16.809 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.962 -18.467 19.269 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.597 -19.396 17.828 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.092 -17.372 19.257 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.575 -18.873 18.494 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.939 -16.420 17.316 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.756 -17.898 16.392 1.00 0.00 H new ATOM 839 N PHE A 56 -3.037 -16.383 18.619 1.00 0.00 N ATOM 840 CA PHE A 56 -3.710 -15.352 19.460 1.00 0.00 C ATOM 841 C PHE A 56 -3.569 -15.691 20.948 1.00 0.00 C ATOM 842 O PHE A 56 -4.038 -14.967 21.803 1.00 0.00 O ATOM 843 CB PHE A 56 -5.181 -15.389 19.031 1.00 0.00 C ATOM 844 CG PHE A 56 -5.870 -16.579 19.663 1.00 0.00 C ATOM 845 CD1 PHE A 56 -5.779 -17.842 19.066 1.00 0.00 C ATOM 846 CD2 PHE A 56 -6.598 -16.415 20.847 1.00 0.00 C ATOM 847 CE1 PHE A 56 -6.416 -18.941 19.654 1.00 0.00 C ATOM 848 CE2 PHE A 56 -7.236 -17.514 21.434 1.00 0.00 C ATOM 849 CZ PHE A 56 -7.145 -18.776 20.838 1.00 0.00 C ATOM 0 H PHE A 56 -3.627 -17.166 18.337 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.271 -14.363 19.326 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.680 -14.467 19.330 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.251 -15.451 17.945 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.218 -17.968 18.152 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.668 -15.441 21.308 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.345 -19.916 19.195 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.799 -17.387 22.347 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.637 -19.624 21.291 1.00 0.00 H new ATOM 859 N ASN A 57 -2.935 -16.786 21.266 1.00 0.00 N ATOM 860 CA ASN A 57 -2.779 -17.164 22.701 1.00 0.00 C ATOM 861 C ASN A 57 -1.426 -16.690 23.241 1.00 0.00 C ATOM 862 O ASN A 57 -1.271 -16.447 24.421 1.00 0.00 O ATOM 863 CB ASN A 57 -2.852 -18.692 22.717 1.00 0.00 C ATOM 864 CG ASN A 57 -4.278 -19.137 22.387 1.00 0.00 C ATOM 865 OD1 ASN A 57 -5.232 -18.467 22.730 1.00 0.00 O ATOM 866 ND2 ASN A 57 -4.465 -20.250 21.729 1.00 0.00 N ATOM 0 H ASN A 57 -2.519 -17.434 20.597 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.545 -16.707 23.328 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.153 -19.108 21.992 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.559 -19.071 23.696 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.411 -20.556 21.503 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.665 -20.813 21.441 1.00 0.00 H new ATOM 873 N PHE A 58 -0.443 -16.561 22.391 1.00 0.00 N ATOM 874 CA PHE A 58 0.895 -16.105 22.871 1.00 0.00 C ATOM 875 C PHE A 58 0.998 -14.580 22.799 1.00 0.00 C ATOM 876 O PHE A 58 2.032 -14.007 23.071 1.00 0.00 O ATOM 877 CB PHE A 58 1.904 -16.758 21.924 1.00 0.00 C ATOM 878 CG PHE A 58 1.685 -18.254 21.902 1.00 0.00 C ATOM 879 CD1 PHE A 58 1.064 -18.891 22.983 1.00 0.00 C ATOM 880 CD2 PHE A 58 2.110 -19.005 20.799 1.00 0.00 C ATOM 881 CE1 PHE A 58 0.865 -20.277 22.961 1.00 0.00 C ATOM 882 CE2 PHE A 58 1.911 -20.390 20.777 1.00 0.00 C ATOM 883 CZ PHE A 58 1.289 -21.026 21.857 1.00 0.00 C ATOM 0 H PHE A 58 -0.507 -16.750 21.391 1.00 0.00 H new ATOM 0 HA PHE A 58 1.073 -16.383 23.910 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.793 -16.349 20.920 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.920 -16.534 22.248 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.738 -18.313 23.835 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.591 -18.515 19.965 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.385 -20.768 23.795 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.238 -20.969 19.926 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.136 -22.095 21.839 1.00 0.00 H new ATOM 893 N VAL A 59 -0.067 -13.918 22.437 1.00 0.00 N ATOM 894 CA VAL A 59 -0.022 -12.430 22.353 1.00 0.00 C ATOM 895 C VAL A 59 -1.332 -11.832 22.868 1.00 0.00 C ATOM 896 O VAL A 59 -2.330 -12.512 22.997 1.00 0.00 O ATOM 897 CB VAL A 59 0.158 -12.116 20.870 1.00 0.00 C ATOM 898 CG1 VAL A 59 0.523 -10.641 20.704 1.00 0.00 C ATOM 899 CG2 VAL A 59 1.275 -12.987 20.294 1.00 0.00 C ATOM 0 H VAL A 59 -0.963 -14.341 22.197 1.00 0.00 H new ATOM 0 HA VAL A 59 0.782 -12.010 22.958 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.771 -12.323 20.339 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.652 -10.415 19.646 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.274 -10.021 21.113 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.452 -10.434 21.235 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.403 -12.762 19.235 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.206 -12.782 20.823 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.014 -14.039 20.412 1.00 0.00 H new ATOM 909 N ALA A 60 -1.334 -10.563 23.162 1.00 0.00 N ATOM 910 CA ALA A 60 -2.578 -9.916 23.670 1.00 0.00 C ATOM 911 C ALA A 60 -2.583 -8.427 23.313 1.00 0.00 C ATOM 912 O ALA A 60 -1.617 -7.898 22.798 1.00 0.00 O ATOM 913 CB ALA A 60 -2.530 -10.102 25.187 1.00 0.00 C ATOM 0 H ALA A 60 -0.528 -9.944 23.073 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.477 -10.351 23.234 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.415 -9.651 25.637 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.505 -11.166 25.423 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.636 -9.622 25.584 1.00 0.00 H new ATOM 919 N LYS A 61 -3.664 -7.745 23.582 1.00 0.00 N ATOM 920 CA LYS A 61 -3.730 -6.291 23.258 1.00 0.00 C ATOM 921 C LYS A 61 -2.778 -5.505 24.163 1.00 0.00 C ATOM 922 O LYS A 61 -2.758 -5.686 25.365 1.00 0.00 O ATOM 923 CB LYS A 61 -5.181 -5.888 23.526 1.00 0.00 C ATOM 924 CG LYS A 61 -5.426 -4.477 22.990 1.00 0.00 C ATOM 925 CD LYS A 61 -6.866 -4.058 23.291 1.00 0.00 C ATOM 926 CE LYS A 61 -7.171 -2.733 22.586 1.00 0.00 C ATOM 927 NZ LYS A 61 -8.411 -2.994 21.801 1.00 0.00 N ATOM 0 H LYS A 61 -4.504 -8.132 24.012 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.435 -6.084 22.229 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.860 -6.593 23.047 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.388 -5.923 24.596 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.729 -3.776 23.449 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.245 -4.448 21.916 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.558 -4.829 22.954 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.007 -3.951 24.366 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.321 -1.928 23.305 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.348 -2.432 21.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.685 -2.132 21.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.236 -3.761 21.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.178 -3.272 22.446 1.00 0.00 H new ATOM 941 N ALA A 62 -1.988 -4.635 23.597 1.00 0.00 N ATOM 942 CA ALA A 62 -1.038 -3.839 24.426 1.00 0.00 C ATOM 943 C ALA A 62 -1.807 -2.856 25.314 1.00 0.00 C ATOM 944 O ALA A 62 -2.856 -2.365 24.949 1.00 0.00 O ATOM 945 CB ALA A 62 -0.170 -3.085 23.418 1.00 0.00 C ATOM 0 H ALA A 62 -1.959 -4.440 22.596 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.442 -4.466 25.089 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.558 -2.473 23.951 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.352 -3.799 22.782 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.801 -2.444 22.802 1.00 0.00 H new ATOM 951 N ASN A 63 -1.291 -2.566 26.477 1.00 0.00 N ATOM 952 CA ASN A 63 -1.992 -1.616 27.387 1.00 0.00 C ATOM 953 C ASN A 63 -1.658 -0.172 27.004 1.00 0.00 C ATOM 954 O ASN A 63 -1.267 0.043 25.868 1.00 0.00 O ATOM 955 CB ASN A 63 -1.458 -1.937 28.783 1.00 0.00 C ATOM 956 CG ASN A 63 -1.875 -3.355 29.175 1.00 0.00 C ATOM 957 OD1 ASN A 63 -2.760 -3.930 28.570 1.00 0.00 O ATOM 958 ND2 ASN A 63 -1.272 -3.949 30.168 1.00 0.00 N ATOM 959 OXT ASN A 63 -1.798 0.694 27.852 1.00 0.00 O ATOM 0 H ASN A 63 -0.415 -2.945 26.836 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.076 -1.716 27.332 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.372 -1.849 28.798 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.846 -1.219 29.506 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.543 -4.895 30.437 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.530 -3.467 30.676 1.00 0.00 H new TER 966 ASN A 63