USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1048 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 GLN : amide:sc=-0.00683 X(o=-0.062,f=-0.43) USER MOD Set 1.2: A 63 ASN : amide:sc= -0.0447 X(o=-0.062,f=-0.11) USER MOD Set 1.3: A 78 MET CE :methyl -136:sc= -0.0109 (180deg=0) USER MOD Set 2.1: A 59 LYS NZ :NH3+ 169:sc= -0.636 (180deg=-2.38!) USER MOD Set 2.2: A 61 SER OG : rot 180:sc= -0.143 USER MOD Set 2.3: A 74 SER OG : rot -159:sc= -0.264 USER MOD Set 3.1: A 31 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 39 GLN :FLIP amide:sc= -1.63! F(o=-2.2,f=-1.6!) USER MOD Single : A 1 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 1 GLN N :NH3+ 168:sc= 0 (180deg=-0.257) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.256 K(o=-0.26,f=-2.5!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.875 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 152:sc= 0.51 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.193) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.25) USER MOD Single : A 73 LYS NZ :NH3+ -151:sc= -1.13 (180deg=-2.55!) USER MOD Single : A 79 THR OG1 : rot 46:sc= 1.03 USER MOD Single : A 80 LYS NZ :NH3+ -168:sc= -0.0851 (180deg=-0.392) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0.0377 USER MOD Single : A 89 SER OG : rot 173:sc= 0.774 USER MOD Single : A 90 SER OG : rot 61:sc= 0.251 USER MOD Single : A 96 LYS NZ :NH3+ 176:sc= -1.86! (180deg=-2.02!) USER MOD Single : A 104 TYR OH : rot -166:sc= -0.556 USER MOD Single : A 106 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.051) USER MOD Single : A 110 ASN : amide:sc= -0.716 X(o=-0.72,f=-0.75) USER MOD Single : A 111 HIS :FLIP no HD1:sc= -0.289 F(o=-0.87,f=-0.29) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 MET CE :methyl -104:sc= -11.3! (180deg=-15.9!) USER MOD Single : A 116 GLN : amide:sc= -0.0957 K(o=-0.096,f=-3.5!) USER MOD Single : A 126 LYS NZ :NH3+ -139:sc= 0.358 (180deg=0.000272) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -7.779 11.723 11.299 1.00 0.00 N ATOM 2 CA GLN A 1 -6.945 11.411 10.109 1.00 0.00 C ATOM 3 C GLN A 1 -7.809 11.223 8.865 1.00 0.00 C ATOM 4 O GLN A 1 -8.080 10.097 8.449 1.00 0.00 O ATOM 5 CB GLN A 1 -6.144 10.138 10.393 1.00 0.00 C ATOM 6 CG GLN A 1 -6.978 9.016 10.991 1.00 0.00 C ATOM 7 CD GLN A 1 -6.336 7.654 10.808 1.00 0.00 C ATOM 8 OE1 GLN A 1 -7.014 6.672 10.507 1.00 0.00 O ATOM 9 NE2 GLN A 1 -5.022 7.590 10.990 1.00 0.00 N ATOM 0 H1 GLN A 1 -7.199 11.646 12.159 1.00 0.00 H new ATOM 0 H2 GLN A 1 -8.151 12.691 11.218 1.00 0.00 H new ATOM 0 H3 GLN A 1 -8.571 11.051 11.354 1.00 0.00 H new ATOM 0 HA GLN A 1 -6.269 12.245 9.918 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -5.692 9.788 9.465 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -5.328 10.377 11.075 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -7.126 9.205 12.054 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -7.965 9.014 10.528 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -4.500 8.430 11.239 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -4.535 6.701 10.881 1.00 0.00 H new ATOM 20 N PHE A 2 -8.238 12.336 8.277 1.00 0.00 N ATOM 21 CA PHE A 2 -9.073 12.297 7.082 1.00 0.00 C ATOM 22 C PHE A 2 -10.364 11.508 7.346 1.00 0.00 C ATOM 23 O PHE A 2 -11.227 11.969 8.093 1.00 0.00 O ATOM 24 CB PHE A 2 -8.284 11.705 5.908 1.00 0.00 C ATOM 25 CG PHE A 2 -9.035 11.720 4.605 1.00 0.00 C ATOM 26 CD1 PHE A 2 -9.656 12.876 4.163 1.00 0.00 C ATOM 27 CD2 PHE A 2 -9.118 10.577 3.826 1.00 0.00 C ATOM 28 CE1 PHE A 2 -10.347 12.893 2.966 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.808 10.588 2.628 1.00 0.00 C ATOM 30 CZ PHE A 2 -10.423 11.747 2.198 1.00 0.00 C ATOM 0 H PHE A 2 -8.021 13.276 8.609 1.00 0.00 H new ATOM 0 HA PHE A 2 -9.360 13.315 6.819 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.355 12.263 5.788 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -8.010 10.677 6.147 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.600 13.774 4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -8.639 9.668 4.158 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -10.827 13.801 2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.866 9.691 2.029 1.00 0.00 H new ATOM 0 HZ PHE A 2 -10.963 11.758 1.263 1.00 0.00 H new ATOM 40 N ASP A 3 -10.500 10.323 6.743 1.00 0.00 N ATOM 41 CA ASP A 3 -11.692 9.500 6.938 1.00 0.00 C ATOM 42 C ASP A 3 -11.679 8.284 6.014 1.00 0.00 C ATOM 43 O ASP A 3 -12.721 7.869 5.507 1.00 0.00 O ATOM 44 CB ASP A 3 -12.962 10.325 6.698 1.00 0.00 C ATOM 45 CG ASP A 3 -13.908 10.287 7.882 1.00 0.00 C ATOM 46 OD1 ASP A 3 -13.426 10.379 9.030 1.00 0.00 O ATOM 47 OD2 ASP A 3 -15.131 10.165 7.660 1.00 0.00 O ATOM 0 H ASP A 3 -9.803 9.916 6.120 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.687 9.148 7.970 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.686 11.359 6.490 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.476 9.948 5.814 1.00 0.00 H new ATOM 52 N LEU A 4 -10.497 7.714 5.802 1.00 0.00 N ATOM 53 CA LEU A 4 -10.356 6.545 4.942 1.00 0.00 C ATOM 54 C LEU A 4 -10.016 5.309 5.767 1.00 0.00 C ATOM 55 O LEU A 4 -9.294 5.396 6.761 1.00 0.00 O ATOM 56 CB LEU A 4 -9.271 6.789 3.891 1.00 0.00 C ATOM 57 CG LEU A 4 -9.075 5.652 2.881 1.00 0.00 C ATOM 58 CD1 LEU A 4 -8.998 6.201 1.465 1.00 0.00 C ATOM 59 CD2 LEU A 4 -7.825 4.850 3.218 1.00 0.00 C ATOM 0 H LEU A 4 -9.624 8.043 6.214 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.307 6.374 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.514 7.701 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.325 6.967 4.403 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.935 4.986 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.859 5.379 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.922 6.728 1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.157 6.891 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.701 4.047 2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.954 5.504 3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.924 4.424 4.216 1.00 0.00 H new ATOM 71 N THR A 5 -10.544 4.160 5.357 1.00 0.00 N ATOM 72 CA THR A 5 -10.294 2.913 6.071 1.00 0.00 C ATOM 73 C THR A 5 -10.154 1.737 5.110 1.00 0.00 C ATOM 74 O THR A 5 -11.095 1.388 4.397 1.00 0.00 O ATOM 75 CB THR A 5 -11.424 2.640 7.067 1.00 0.00 C ATOM 76 OG1 THR A 5 -11.102 1.537 7.896 1.00 0.00 O ATOM 77 CG2 THR A 5 -12.752 2.345 6.406 1.00 0.00 C ATOM 0 H THR A 5 -11.145 4.067 4.538 1.00 0.00 H new ATOM 0 HA THR A 5 -9.353 3.022 6.611 1.00 0.00 H new ATOM 0 HB THR A 5 -11.525 3.557 7.647 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.834 1.378 8.528 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.506 2.161 7.171 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.053 3.198 5.797 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.655 1.463 5.773 1.00 0.00 H new ATOM 85 N VAL A 6 -8.977 1.121 5.109 1.00 0.00 N ATOM 86 CA VAL A 6 -8.713 -0.030 4.251 1.00 0.00 C ATOM 87 C VAL A 6 -7.855 -1.056 4.980 1.00 0.00 C ATOM 88 O VAL A 6 -6.731 -0.766 5.382 1.00 0.00 O ATOM 89 CB VAL A 6 -8.018 0.374 2.919 1.00 0.00 C ATOM 90 CG1 VAL A 6 -7.249 1.678 3.065 1.00 0.00 C ATOM 91 CG2 VAL A 6 -7.103 -0.736 2.411 1.00 0.00 C ATOM 0 H VAL A 6 -8.189 1.399 5.694 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.681 -0.467 4.006 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.804 0.529 2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.776 1.930 2.116 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.935 2.475 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.484 1.565 3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.633 -0.422 1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.333 -0.942 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.689 -1.639 2.236 1.00 0.00 H new ATOM 101 N GLY A 7 -8.386 -2.262 5.124 1.00 0.00 N ATOM 102 CA GLY A 7 -7.648 -3.322 5.782 1.00 0.00 C ATOM 103 C GLY A 7 -7.220 -4.380 4.791 1.00 0.00 C ATOM 104 O GLY A 7 -8.063 -5.027 4.172 1.00 0.00 O ATOM 0 H GLY A 7 -9.315 -2.526 4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.770 -2.906 6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.267 -3.774 6.557 1.00 0.00 H new ATOM 108 N ILE A 8 -5.913 -4.549 4.617 1.00 0.00 N ATOM 109 CA ILE A 8 -5.421 -5.530 3.663 1.00 0.00 C ATOM 110 C ILE A 8 -5.542 -6.946 4.228 1.00 0.00 C ATOM 111 O ILE A 8 -4.875 -7.308 5.197 1.00 0.00 O ATOM 112 CB ILE A 8 -3.946 -5.224 3.285 1.00 0.00 C ATOM 113 CG1 ILE A 8 -3.880 -4.029 2.323 1.00 0.00 C ATOM 114 CG2 ILE A 8 -3.264 -6.443 2.673 1.00 0.00 C ATOM 115 CD1 ILE A 8 -3.203 -2.809 2.914 1.00 0.00 C ATOM 0 H ILE A 8 -5.190 -4.030 5.114 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.033 -5.468 2.763 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.410 -4.970 4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.346 -4.329 1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.892 -3.761 2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.233 -6.195 2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.274 -7.264 3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.797 -6.743 1.771 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.193 -2.006 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.749 -2.483 3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.179 -3.060 3.191 1.00 0.00 H new ATOM 127 N THR A 9 -6.397 -7.738 3.588 1.00 0.00 N ATOM 128 CA THR A 9 -6.633 -9.126 3.974 1.00 0.00 C ATOM 129 C THR A 9 -7.202 -9.895 2.786 1.00 0.00 C ATOM 130 O THR A 9 -7.830 -9.286 1.925 1.00 0.00 O ATOM 131 CB THR A 9 -7.598 -9.196 5.160 1.00 0.00 C ATOM 132 OG1 THR A 9 -7.546 -8.001 5.919 1.00 0.00 O ATOM 133 CG2 THR A 9 -7.313 -10.350 6.097 1.00 0.00 C ATOM 0 H THR A 9 -6.947 -7.435 2.785 1.00 0.00 H new ATOM 0 HA THR A 9 -5.687 -9.576 4.276 1.00 0.00 H new ATOM 0 HB THR A 9 -8.585 -9.342 4.722 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.171 -8.064 6.672 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.033 -10.341 6.915 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.395 -11.290 5.552 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.305 -10.251 6.500 1.00 0.00 H new ATOM 141 N ASP A 10 -6.990 -11.223 2.745 1.00 0.00 N ATOM 142 CA ASP A 10 -7.507 -12.080 1.653 1.00 0.00 C ATOM 143 C ASP A 10 -6.437 -12.536 0.653 1.00 0.00 C ATOM 144 O ASP A 10 -6.587 -13.593 0.042 1.00 0.00 O ATOM 145 CB ASP A 10 -8.611 -11.377 0.861 1.00 0.00 C ATOM 146 CG ASP A 10 -9.796 -10.987 1.727 1.00 0.00 C ATOM 147 OD1 ASP A 10 -10.176 -11.786 2.608 1.00 0.00 O ATOM 148 OD2 ASP A 10 -10.342 -9.882 1.522 1.00 0.00 O ATOM 0 H ASP A 10 -6.463 -11.731 3.456 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.893 -12.960 2.167 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.202 -10.484 0.389 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.952 -12.033 0.060 1.00 0.00 H new ATOM 153 N PRO A 11 -5.366 -11.749 0.429 1.00 0.00 N ATOM 154 CA PRO A 11 -4.320 -12.086 -0.538 1.00 0.00 C ATOM 155 C PRO A 11 -4.026 -13.573 -0.665 1.00 0.00 C ATOM 156 O PRO A 11 -3.261 -14.148 0.110 1.00 0.00 O ATOM 157 CB PRO A 11 -3.133 -11.321 0.012 1.00 0.00 C ATOM 158 CG PRO A 11 -3.759 -10.053 0.459 1.00 0.00 C ATOM 159 CD PRO A 11 -5.080 -10.449 1.063 1.00 0.00 C ATOM 0 HA PRO A 11 -4.604 -11.823 -1.557 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.653 -11.851 0.835 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.369 -11.153 -0.747 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.131 -9.541 1.189 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.899 -9.368 -0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.017 -10.536 2.148 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.857 -9.716 0.847 1.00 0.00 H new ATOM 167 N GLU A 12 -4.627 -14.169 -1.685 1.00 0.00 N ATOM 168 CA GLU A 12 -4.441 -15.575 -1.992 1.00 0.00 C ATOM 169 C GLU A 12 -3.867 -15.691 -3.396 1.00 0.00 C ATOM 170 O GLU A 12 -4.058 -14.797 -4.216 1.00 0.00 O ATOM 171 CB GLU A 12 -5.769 -16.331 -1.900 1.00 0.00 C ATOM 172 CG GLU A 12 -6.952 -15.559 -2.460 1.00 0.00 C ATOM 173 CD GLU A 12 -8.266 -16.295 -2.284 1.00 0.00 C ATOM 174 OE1 GLU A 12 -8.760 -16.360 -1.138 1.00 0.00 O ATOM 175 OE2 GLU A 12 -8.800 -16.806 -3.290 1.00 0.00 O ATOM 0 H GLU A 12 -5.259 -13.687 -2.324 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.755 -16.017 -1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.677 -17.276 -2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.967 -16.574 -0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.014 -14.589 -1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.787 -15.367 -3.520 1.00 0.00 H new ATOM 182 N LYS A 13 -3.157 -16.774 -3.675 1.00 0.00 N ATOM 183 CA LYS A 13 -2.560 -16.951 -4.990 1.00 0.00 C ATOM 184 C LYS A 13 -3.632 -17.176 -6.055 1.00 0.00 C ATOM 185 O LYS A 13 -4.233 -18.247 -6.147 1.00 0.00 O ATOM 186 CB LYS A 13 -1.554 -18.102 -4.964 1.00 0.00 C ATOM 187 CG LYS A 13 -0.994 -18.460 -6.332 1.00 0.00 C ATOM 188 CD LYS A 13 0.502 -18.202 -6.405 1.00 0.00 C ATOM 189 CE LYS A 13 1.302 -19.468 -6.137 1.00 0.00 C ATOM 190 NZ LYS A 13 2.389 -19.238 -5.146 1.00 0.00 N ATOM 0 H LYS A 13 -2.982 -17.534 -3.018 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.027 -16.037 -5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.729 -17.836 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.034 -18.982 -4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.194 -19.510 -6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.503 -17.876 -7.099 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.757 -17.812 -7.390 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.776 -17.437 -5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.635 -20.248 -5.770 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.732 -19.830 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.911 -20.124 -4.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.040 -18.512 -5.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.977 -18.917 -4.247 1.00 0.00 H new ATOM 204 N ILE A 14 -3.856 -16.136 -6.854 1.00 0.00 N ATOM 205 CA ILE A 14 -4.841 -16.152 -7.931 1.00 0.00 C ATOM 206 C ILE A 14 -4.431 -17.115 -9.042 1.00 0.00 C ATOM 207 O ILE A 14 -3.274 -17.524 -9.128 1.00 0.00 O ATOM 208 CB ILE A 14 -5.012 -14.740 -8.547 1.00 0.00 C ATOM 209 CG1 ILE A 14 -5.003 -13.648 -7.471 1.00 0.00 C ATOM 210 CG2 ILE A 14 -6.291 -14.659 -9.356 1.00 0.00 C ATOM 211 CD1 ILE A 14 -5.892 -13.947 -6.291 1.00 0.00 C ATOM 0 H ILE A 14 -3.355 -15.252 -6.771 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.783 -16.481 -7.493 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.162 -14.570 -9.208 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.981 -13.508 -7.118 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.317 -12.706 -7.921 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.391 -13.660 -9.779 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.259 -15.393 -10.161 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -7.144 -14.866 -8.710 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.832 -13.129 -5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.922 -14.057 -6.630 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.566 -14.872 -5.815 1.00 0.00 H new ATOM 223 N GLY A 15 -5.385 -17.462 -9.902 1.00 0.00 N ATOM 224 CA GLY A 15 -5.103 -18.359 -11.009 1.00 0.00 C ATOM 225 C GLY A 15 -4.888 -19.794 -10.570 1.00 0.00 C ATOM 226 O GLY A 15 -5.844 -20.557 -10.430 1.00 0.00 O ATOM 0 H GLY A 15 -6.350 -17.137 -9.851 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.930 -18.322 -11.719 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.215 -18.009 -11.535 1.00 0.00 H new ATOM 230 N ASP A 16 -3.627 -20.164 -10.364 1.00 0.00 N ATOM 231 CA ASP A 16 -3.276 -21.520 -9.950 1.00 0.00 C ATOM 232 C ASP A 16 -3.357 -22.485 -11.129 1.00 0.00 C ATOM 233 O ASP A 16 -4.319 -23.242 -11.262 1.00 0.00 O ATOM 234 CB ASP A 16 -4.190 -21.995 -8.815 1.00 0.00 C ATOM 235 CG ASP A 16 -3.429 -22.719 -7.723 1.00 0.00 C ATOM 236 OD1 ASP A 16 -3.005 -23.870 -7.957 1.00 0.00 O ATOM 237 OD2 ASP A 16 -3.257 -22.135 -6.632 1.00 0.00 O ATOM 0 H ASP A 16 -2.828 -19.541 -10.478 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.249 -21.504 -9.586 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.707 -21.137 -8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.955 -22.657 -9.221 1.00 0.00 H new ATOM 242 N GLY A 17 -2.340 -22.450 -11.985 1.00 0.00 N ATOM 243 CA GLY A 17 -2.312 -23.324 -13.145 1.00 0.00 C ATOM 244 C GLY A 17 -1.425 -22.787 -14.252 1.00 0.00 C ATOM 245 O GLY A 17 -0.858 -23.554 -15.030 1.00 0.00 O ATOM 0 H GLY A 17 -1.534 -21.831 -11.896 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.957 -24.310 -12.845 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.326 -23.452 -13.525 1.00 0.00 H new ATOM 249 N MET A 18 -1.304 -21.465 -14.319 1.00 0.00 N ATOM 250 CA MET A 18 -0.479 -20.819 -15.335 1.00 0.00 C ATOM 251 C MET A 18 -0.102 -19.406 -14.901 1.00 0.00 C ATOM 252 O MET A 18 -0.883 -18.469 -15.061 1.00 0.00 O ATOM 253 CB MET A 18 -1.222 -20.773 -16.672 1.00 0.00 C ATOM 254 CG MET A 18 -0.311 -20.928 -17.881 1.00 0.00 C ATOM 255 SD MET A 18 -1.155 -20.576 -19.436 1.00 0.00 S ATOM 256 CE MET A 18 -0.906 -22.119 -20.312 1.00 0.00 C ATOM 0 H MET A 18 -1.768 -20.819 -13.681 1.00 0.00 H new ATOM 0 HA MET A 18 0.434 -21.402 -15.456 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.972 -21.564 -16.689 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.756 -19.826 -16.749 1.00 0.00 H new ATOM 0 HG2 MET A 18 0.543 -20.259 -17.776 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.082 -21.944 -17.907 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.372 -22.058 -21.295 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.162 -22.304 -20.428 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.356 -22.935 -19.747 1.00 0.00 H new ATOM 266 N ASN A 19 1.096 -19.260 -14.341 1.00 0.00 N ATOM 267 CA ASN A 19 1.566 -17.961 -13.875 1.00 0.00 C ATOM 268 C ASN A 19 0.616 -17.400 -12.821 1.00 0.00 C ATOM 269 O ASN A 19 -0.042 -16.383 -13.037 1.00 0.00 O ATOM 270 CB ASN A 19 1.687 -16.984 -15.047 1.00 0.00 C ATOM 271 CG ASN A 19 3.100 -16.903 -15.589 1.00 0.00 C ATOM 272 OD1 ASN A 19 4.060 -17.266 -14.910 1.00 0.00 O ATOM 273 ND2 ASN A 19 3.233 -16.424 -16.821 1.00 0.00 N ATOM 0 H ASN A 19 1.757 -20.024 -14.200 1.00 0.00 H new ATOM 0 HA ASN A 19 2.551 -18.092 -13.426 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.012 -17.293 -15.845 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.367 -15.993 -14.725 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.159 -16.345 -17.240 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.409 -16.135 -17.348 1.00 0.00 H new ATOM 280 N ALA A 20 0.539 -18.085 -11.684 1.00 0.00 N ATOM 281 CA ALA A 20 -0.342 -17.671 -10.601 1.00 0.00 C ATOM 282 C ALA A 20 0.226 -16.489 -9.823 1.00 0.00 C ATOM 283 O ALA A 20 1.430 -16.404 -9.581 1.00 0.00 O ATOM 284 CB ALA A 20 -0.601 -18.837 -9.658 1.00 0.00 C ATOM 0 H ALA A 20 1.077 -18.930 -11.490 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.282 -17.350 -11.051 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.261 -18.514 -8.853 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.071 -19.652 -10.208 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.344 -19.181 -9.237 1.00 0.00 H new ATOM 290 N TYR A 21 -0.663 -15.588 -9.424 1.00 0.00 N ATOM 291 CA TYR A 21 -0.288 -14.408 -8.653 1.00 0.00 C ATOM 292 C TYR A 21 -1.317 -14.178 -7.574 1.00 0.00 C ATOM 293 O TYR A 21 -2.469 -14.532 -7.760 1.00 0.00 O ATOM 294 CB TYR A 21 -0.236 -13.170 -9.553 1.00 0.00 C ATOM 295 CG TYR A 21 -1.537 -12.887 -10.286 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.716 -12.556 -9.603 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.586 -12.949 -11.673 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.888 -12.303 -10.289 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.758 -12.694 -12.362 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.904 -12.372 -11.666 1.00 0.00 C ATOM 301 OH TYR A 21 -5.071 -12.118 -12.350 1.00 0.00 O ATOM 0 H TYR A 21 -1.661 -15.654 -9.625 1.00 0.00 H new ATOM 0 HA TYR A 21 0.697 -14.573 -8.217 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.024 -12.303 -8.946 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.562 -13.298 -10.285 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.708 -12.498 -8.525 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.692 -13.201 -12.224 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.789 -12.052 -9.749 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.775 -12.747 -13.441 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.912 -12.207 -13.313 1.00 0.00 H new ATOM 311 N VAL A 22 -0.931 -13.565 -6.462 1.00 0.00 N ATOM 312 CA VAL A 22 -1.904 -13.292 -5.415 1.00 0.00 C ATOM 313 C VAL A 22 -2.384 -11.857 -5.502 1.00 0.00 C ATOM 314 O VAL A 22 -1.650 -10.954 -5.903 1.00 0.00 O ATOM 315 CB VAL A 22 -1.402 -13.593 -3.985 1.00 0.00 C ATOM 316 CG1 VAL A 22 0.106 -13.440 -3.881 1.00 0.00 C ATOM 317 CG2 VAL A 22 -2.126 -12.709 -2.964 1.00 0.00 C ATOM 0 H VAL A 22 0.021 -13.255 -6.265 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.730 -13.980 -5.596 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.635 -14.633 -3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.425 -13.659 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.590 -14.133 -4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.387 -12.418 -4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.760 -12.935 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.936 -11.660 -3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.198 -12.902 -3.010 1.00 0.00 H new ATOM 327 N ALA A 23 -3.635 -11.678 -5.138 1.00 0.00 N ATOM 328 CA ALA A 23 -4.285 -10.389 -5.171 1.00 0.00 C ATOM 329 C ALA A 23 -4.182 -9.664 -3.831 1.00 0.00 C ATOM 330 O ALA A 23 -3.602 -10.178 -2.875 1.00 0.00 O ATOM 331 CB ALA A 23 -5.730 -10.623 -5.532 1.00 0.00 C ATOM 0 H ALA A 23 -4.235 -12.433 -4.807 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.794 -9.751 -5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.255 -9.669 -5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.788 -11.105 -6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.193 -11.265 -4.783 1.00 0.00 H new ATOM 337 N TYR A 24 -4.768 -8.471 -3.769 1.00 0.00 N ATOM 338 CA TYR A 24 -4.769 -7.673 -2.548 1.00 0.00 C ATOM 339 C TYR A 24 -6.120 -7.000 -2.364 1.00 0.00 C ATOM 340 O TYR A 24 -6.415 -5.993 -3.005 1.00 0.00 O ATOM 341 CB TYR A 24 -3.654 -6.622 -2.579 1.00 0.00 C ATOM 342 CG TYR A 24 -2.408 -7.059 -1.857 1.00 0.00 C ATOM 343 CD1 TYR A 24 -1.476 -7.877 -2.477 1.00 0.00 C ATOM 344 CD2 TYR A 24 -2.171 -6.657 -0.551 1.00 0.00 C ATOM 345 CE1 TYR A 24 -0.334 -8.286 -1.815 1.00 0.00 C ATOM 346 CE2 TYR A 24 -1.033 -7.061 0.121 1.00 0.00 C ATOM 347 CZ TYR A 24 -0.118 -7.875 -0.515 1.00 0.00 C ATOM 348 OH TYR A 24 1.016 -8.281 0.151 1.00 0.00 O ATOM 0 H TYR A 24 -5.250 -8.035 -4.555 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.585 -8.339 -1.705 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.405 -6.396 -3.616 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.021 -5.699 -2.131 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.645 -8.200 -3.494 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.886 -6.019 -0.052 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.384 -8.922 -2.311 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.861 -6.741 1.138 1.00 0.00 H new ATOM 0 HH TYR A 24 1.017 -7.904 1.055 1.00 0.00 H new ATOM 358 N LYS A 25 -6.946 -7.569 -1.493 1.00 0.00 N ATOM 359 CA LYS A 25 -8.273 -7.026 -1.247 1.00 0.00 C ATOM 360 C LYS A 25 -8.214 -5.798 -0.351 1.00 0.00 C ATOM 361 O LYS A 25 -8.321 -5.895 0.871 1.00 0.00 O ATOM 362 CB LYS A 25 -9.179 -8.085 -0.617 1.00 0.00 C ATOM 363 CG LYS A 25 -10.658 -7.731 -0.680 1.00 0.00 C ATOM 364 CD LYS A 25 -11.459 -8.793 -1.416 1.00 0.00 C ATOM 365 CE LYS A 25 -12.526 -8.170 -2.302 1.00 0.00 C ATOM 366 NZ LYS A 25 -13.851 -8.121 -1.623 1.00 0.00 N ATOM 0 H LYS A 25 -6.720 -8.402 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.688 -6.727 -2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.019 -9.037 -1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.891 -8.226 0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.048 -7.616 0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.781 -6.770 -1.180 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.788 -9.400 -2.024 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.928 -9.462 -0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.223 -7.161 -2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.612 -8.743 -3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.551 -7.690 -2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.152 -9.086 -1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.776 -7.553 -0.755 1.00 0.00 H new ATOM 380 N VAL A 26 -8.066 -4.641 -0.982 1.00 0.00 N ATOM 381 CA VAL A 26 -8.018 -3.374 -0.265 1.00 0.00 C ATOM 382 C VAL A 26 -9.412 -2.779 -0.183 1.00 0.00 C ATOM 383 O VAL A 26 -9.871 -2.120 -1.116 1.00 0.00 O ATOM 384 CB VAL A 26 -7.081 -2.353 -0.945 1.00 0.00 C ATOM 385 CG1 VAL A 26 -5.652 -2.507 -0.445 1.00 0.00 C ATOM 386 CG2 VAL A 26 -7.145 -2.485 -2.452 1.00 0.00 C ATOM 0 H VAL A 26 -7.977 -4.554 -1.994 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.628 -3.582 0.731 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.422 -1.353 -0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.013 -1.776 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.624 -2.343 0.632 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.295 -3.512 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.477 -1.756 -2.910 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.839 -3.490 -2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.165 -2.304 -2.790 1.00 0.00 H new ATOM 396 N THR A 27 -10.091 -3.022 0.929 1.00 0.00 N ATOM 397 CA THR A 27 -11.440 -2.513 1.110 1.00 0.00 C ATOM 398 C THR A 27 -11.409 -1.092 1.650 1.00 0.00 C ATOM 399 O THR A 27 -11.819 -0.833 2.782 1.00 0.00 O ATOM 400 CB THR A 27 -12.234 -3.427 2.048 1.00 0.00 C ATOM 401 OG1 THR A 27 -12.438 -4.697 1.454 1.00 0.00 O ATOM 402 CG2 THR A 27 -13.594 -2.873 2.420 1.00 0.00 C ATOM 0 H THR A 27 -9.732 -3.565 1.714 1.00 0.00 H new ATOM 0 HA THR A 27 -11.935 -2.499 0.139 1.00 0.00 H new ATOM 0 HB THR A 27 -11.631 -3.503 2.953 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.945 -5.268 2.068 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.102 -3.571 3.086 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.471 -1.915 2.924 1.00 0.00 H new ATOM 0 HG23 THR A 27 -14.190 -2.734 1.518 1.00 0.00 H new ATOM 410 N THR A 28 -10.924 -0.169 0.826 1.00 0.00 N ATOM 411 CA THR A 28 -10.848 1.230 1.219 1.00 0.00 C ATOM 412 C THR A 28 -12.234 1.857 1.225 1.00 0.00 C ATOM 413 O THR A 28 -13.039 1.622 0.325 1.00 0.00 O ATOM 414 CB THR A 28 -9.922 2.000 0.276 1.00 0.00 C ATOM 415 OG1 THR A 28 -8.704 1.303 0.087 1.00 0.00 O ATOM 416 CG2 THR A 28 -9.586 3.387 0.774 1.00 0.00 C ATOM 0 H THR A 28 -10.579 -0.365 -0.114 1.00 0.00 H new ATOM 0 HA THR A 28 -10.439 1.282 2.228 1.00 0.00 H new ATOM 0 HB THR A 28 -10.472 2.090 -0.661 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.127 1.811 -0.520 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.926 3.880 0.060 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.503 3.967 0.881 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.086 3.316 1.740 1.00 0.00 H new ATOM 424 N GLN A 29 -12.509 2.648 2.256 1.00 0.00 N ATOM 425 CA GLN A 29 -13.803 3.302 2.392 1.00 0.00 C ATOM 426 C GLN A 29 -13.653 4.678 3.019 1.00 0.00 C ATOM 427 O GLN A 29 -13.166 4.813 4.142 1.00 0.00 O ATOM 428 CB GLN A 29 -14.745 2.454 3.247 1.00 0.00 C ATOM 429 CG GLN A 29 -14.786 0.989 2.843 1.00 0.00 C ATOM 430 CD GLN A 29 -15.528 0.128 3.846 1.00 0.00 C ATOM 431 OE1 GLN A 29 -14.951 -0.333 4.832 1.00 0.00 O ATOM 432 NE2 GLN A 29 -16.814 -0.094 3.601 1.00 0.00 N ATOM 0 H GLN A 29 -11.852 2.851 3.010 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.225 3.414 1.393 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.437 2.525 4.290 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.751 2.868 3.182 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.264 0.898 1.868 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.767 0.617 2.734 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -17.252 0.308 2.772 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.364 -0.666 4.242 1.00 0.00 H new ATOM 441 N THR A 30 -14.083 5.696 2.292 1.00 0.00 N ATOM 442 CA THR A 30 -14.005 7.063 2.782 1.00 0.00 C ATOM 443 C THR A 30 -15.256 7.842 2.401 1.00 0.00 C ATOM 444 O THR A 30 -15.398 8.305 1.269 1.00 0.00 O ATOM 445 CB THR A 30 -12.768 7.755 2.220 1.00 0.00 C ATOM 446 OG1 THR A 30 -12.839 9.157 2.413 1.00 0.00 O ATOM 447 CG2 THR A 30 -12.587 7.500 0.745 1.00 0.00 C ATOM 0 H THR A 30 -14.489 5.602 1.361 1.00 0.00 H new ATOM 0 HA THR A 30 -13.932 7.034 3.869 1.00 0.00 H new ATOM 0 HB THR A 30 -11.920 7.336 2.762 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.933 9.526 2.471 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.693 8.015 0.394 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.481 6.429 0.571 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.456 7.872 0.202 1.00 0.00 H new ATOM 455 N SER A 31 -16.155 7.976 3.359 1.00 0.00 N ATOM 456 CA SER A 31 -17.407 8.694 3.151 1.00 0.00 C ATOM 457 C SER A 31 -17.201 10.198 3.302 1.00 0.00 C ATOM 458 O SER A 31 -17.810 10.837 4.161 1.00 0.00 O ATOM 459 CB SER A 31 -18.470 8.208 4.138 1.00 0.00 C ATOM 460 OG SER A 31 -19.775 8.516 3.679 1.00 0.00 O ATOM 0 H SER A 31 -16.043 7.594 4.298 1.00 0.00 H new ATOM 0 HA SER A 31 -17.749 8.493 2.136 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.375 7.131 4.277 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.305 8.671 5.111 1.00 0.00 H new ATOM 0 HG SER A 31 -20.435 8.193 4.328 1.00 0.00 H new ATOM 466 N LEU A 32 -16.338 10.758 2.460 1.00 0.00 N ATOM 467 CA LEU A 32 -16.050 12.186 2.497 1.00 0.00 C ATOM 468 C LEU A 32 -16.115 12.788 1.096 1.00 0.00 C ATOM 469 O LEU A 32 -15.815 12.115 0.109 1.00 0.00 O ATOM 470 CB LEU A 32 -14.670 12.433 3.113 1.00 0.00 C ATOM 471 CG LEU A 32 -14.686 12.950 4.553 1.00 0.00 C ATOM 472 CD1 LEU A 32 -15.344 11.937 5.476 1.00 0.00 C ATOM 473 CD2 LEU A 32 -13.272 13.261 5.020 1.00 0.00 C ATOM 0 H LEU A 32 -15.826 10.243 1.743 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.805 12.671 3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.104 11.502 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.135 13.151 2.491 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.269 13.870 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.346 12.322 6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.370 11.762 5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.788 11.000 5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.300 13.628 6.046 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.666 12.356 4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.835 14.023 4.374 1.00 0.00 H new ATOM 485 N PRO A 33 -16.509 14.068 0.988 1.00 0.00 N ATOM 486 CA PRO A 33 -16.608 14.757 -0.302 1.00 0.00 C ATOM 487 C PRO A 33 -15.244 14.970 -0.947 1.00 0.00 C ATOM 488 O PRO A 33 -14.773 16.100 -1.073 1.00 0.00 O ATOM 489 CB PRO A 33 -17.249 16.101 0.055 1.00 0.00 C ATOM 490 CG PRO A 33 -16.914 16.312 1.491 1.00 0.00 C ATOM 491 CD PRO A 33 -16.884 14.944 2.114 1.00 0.00 C ATOM 0 HA PRO A 33 -17.181 14.181 -1.028 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -16.854 16.905 -0.566 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -18.328 16.079 -0.101 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -15.951 16.811 1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -17.657 16.946 1.976 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.160 14.888 2.926 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -17.853 14.670 2.531 1.00 0.00 H new ATOM 499 N LEU A 34 -14.610 13.875 -1.355 1.00 0.00 N ATOM 500 CA LEU A 34 -13.298 13.944 -1.985 1.00 0.00 C ATOM 501 C LEU A 34 -13.134 12.849 -3.035 1.00 0.00 C ATOM 502 O LEU A 34 -12.918 13.133 -4.213 1.00 0.00 O ATOM 503 CB LEU A 34 -12.195 13.823 -0.931 1.00 0.00 C ATOM 504 CG LEU A 34 -11.970 15.078 -0.083 1.00 0.00 C ATOM 505 CD1 LEU A 34 -12.610 14.920 1.288 1.00 0.00 C ATOM 506 CD2 LEU A 34 -10.483 15.371 0.054 1.00 0.00 C ATOM 0 H LEU A 34 -14.984 12.931 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.215 14.911 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.437 12.993 -0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.261 13.569 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 34 -12.442 15.921 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.439 15.822 1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -13.682 14.760 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -12.168 14.065 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.343 16.266 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.989 14.527 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.051 15.530 -0.934 1.00 0.00 H new ATOM 518 N PHE A 35 -13.235 11.596 -2.601 1.00 0.00 N ATOM 519 CA PHE A 35 -13.094 10.462 -3.507 1.00 0.00 C ATOM 520 C PHE A 35 -13.882 9.255 -3.008 1.00 0.00 C ATOM 521 O PHE A 35 -14.300 9.208 -1.851 1.00 0.00 O ATOM 522 CB PHE A 35 -11.618 10.091 -3.663 1.00 0.00 C ATOM 523 CG PHE A 35 -10.748 11.245 -4.075 1.00 0.00 C ATOM 524 CD1 PHE A 35 -10.613 11.583 -5.411 1.00 0.00 C ATOM 525 CD2 PHE A 35 -10.067 11.989 -3.126 1.00 0.00 C ATOM 526 CE1 PHE A 35 -9.813 12.644 -5.794 1.00 0.00 C ATOM 527 CE2 PHE A 35 -9.266 13.051 -3.502 1.00 0.00 C ATOM 528 CZ PHE A 35 -9.140 13.378 -4.838 1.00 0.00 C ATOM 0 H PHE A 35 -13.414 11.341 -1.630 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.497 10.755 -4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -11.251 9.689 -2.718 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.528 9.296 -4.404 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -11.138 11.012 -6.162 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -10.163 11.737 -2.080 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -9.715 12.898 -6.839 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.740 13.624 -2.753 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.515 14.208 -5.135 1.00 0.00 H new ATOM 538 N ARG A 36 -14.076 8.279 -3.890 1.00 0.00 N ATOM 539 CA ARG A 36 -14.811 7.063 -3.551 1.00 0.00 C ATOM 540 C ARG A 36 -16.285 7.364 -3.300 1.00 0.00 C ATOM 541 O ARG A 36 -17.146 7.002 -4.103 1.00 0.00 O ATOM 542 CB ARG A 36 -14.194 6.391 -2.321 1.00 0.00 C ATOM 543 CG ARG A 36 -12.691 6.193 -2.426 1.00 0.00 C ATOM 544 CD ARG A 36 -12.312 5.426 -3.684 1.00 0.00 C ATOM 545 NE ARG A 36 -11.507 6.236 -4.595 1.00 0.00 N ATOM 546 CZ ARG A 36 -10.189 6.388 -4.488 1.00 0.00 C ATOM 547 NH1 ARG A 36 -9.521 5.788 -3.509 1.00 0.00 N ATOM 548 NH2 ARG A 36 -9.535 7.143 -5.360 1.00 0.00 N ATOM 0 H ARG A 36 -13.733 8.306 -4.850 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.741 6.382 -4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.412 6.995 -1.440 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.670 5.422 -2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.195 7.164 -2.428 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.333 5.654 -1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.757 4.529 -3.409 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.217 5.097 -4.195 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.984 6.714 -5.359 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.018 5.207 -2.834 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.511 5.908 -3.432 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.042 7.608 -6.113 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.525 7.259 -5.277 1.00 0.00 H new ATOM 562 N SER A 37 -16.572 8.029 -2.185 1.00 0.00 N ATOM 563 CA SER A 37 -17.946 8.379 -1.830 1.00 0.00 C ATOM 564 C SER A 37 -18.752 7.136 -1.463 1.00 0.00 C ATOM 565 O SER A 37 -19.187 6.981 -0.323 1.00 0.00 O ATOM 566 CB SER A 37 -18.622 9.125 -2.984 1.00 0.00 C ATOM 567 OG SER A 37 -18.865 10.480 -2.643 1.00 0.00 O ATOM 0 H SER A 37 -15.872 8.337 -1.510 1.00 0.00 H new ATOM 0 HA SER A 37 -17.912 9.033 -0.958 1.00 0.00 H new ATOM 0 HB2 SER A 37 -17.991 9.078 -3.871 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.563 8.636 -3.236 1.00 0.00 H new ATOM 0 HG SER A 37 -19.295 10.935 -3.397 1.00 0.00 H new ATOM 573 N LYS A 38 -18.951 6.254 -2.439 1.00 0.00 N ATOM 574 CA LYS A 38 -19.710 5.028 -2.218 1.00 0.00 C ATOM 575 C LYS A 38 -18.854 3.962 -1.538 1.00 0.00 C ATOM 576 O LYS A 38 -19.378 3.059 -0.884 1.00 0.00 O ATOM 577 CB LYS A 38 -20.251 4.494 -3.546 1.00 0.00 C ATOM 578 CG LYS A 38 -21.616 5.051 -3.915 1.00 0.00 C ATOM 579 CD LYS A 38 -21.805 5.110 -5.422 1.00 0.00 C ATOM 580 CE LYS A 38 -21.045 6.275 -6.035 1.00 0.00 C ATOM 581 NZ LYS A 38 -21.866 7.517 -6.070 1.00 0.00 N ATOM 0 H LYS A 38 -18.597 6.366 -3.389 1.00 0.00 H new ATOM 0 HA LYS A 38 -20.545 5.265 -1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -19.543 4.734 -4.340 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -20.314 3.407 -3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -22.395 4.429 -3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -21.728 6.050 -3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -21.464 4.176 -5.869 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -22.866 5.205 -5.653 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.136 6.457 -5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -20.737 6.015 -7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.312 8.288 -6.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -22.721 7.352 -6.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -22.139 7.780 -5.102 1.00 0.00 H new ATOM 595 N GLN A 39 -17.537 4.068 -1.695 1.00 0.00 N ATOM 596 CA GLN A 39 -16.614 3.109 -1.095 1.00 0.00 C ATOM 597 C GLN A 39 -16.783 1.728 -1.722 1.00 0.00 C ATOM 598 O GLN A 39 -17.794 1.448 -2.366 1.00 0.00 O ATOM 599 CB GLN A 39 -16.837 3.023 0.418 1.00 0.00 C ATOM 600 CG GLN A 39 -16.845 4.378 1.108 1.00 0.00 C ATOM 601 CD GLN A 39 -18.146 4.657 1.833 1.00 0.00 C ATOM 602 OE1 GLN A 39 -18.506 5.931 1.936 1.00 0.00 O flip ATOM 603 NE2 GLN A 39 -18.822 3.738 2.297 1.00 0.00 N flip ATOM 0 H GLN A 39 -17.085 4.808 -2.232 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.599 3.457 -1.285 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -17.785 2.521 0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -16.055 2.405 0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -16.020 4.424 1.819 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -16.671 5.159 0.368 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -18.509 2.773 2.196 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -19.695 3.942 2.783 1.00 0.00 H new ATOM 612 N PHE A 40 -15.786 0.867 -1.528 1.00 0.00 N ATOM 613 CA PHE A 40 -15.824 -0.489 -2.075 1.00 0.00 C ATOM 614 C PHE A 40 -14.486 -1.191 -1.879 1.00 0.00 C ATOM 615 O PHE A 40 -13.585 -0.660 -1.230 1.00 0.00 O ATOM 616 CB PHE A 40 -16.179 -0.461 -3.564 1.00 0.00 C ATOM 617 CG PHE A 40 -15.430 0.583 -4.341 1.00 0.00 C ATOM 618 CD1 PHE A 40 -14.064 0.469 -4.543 1.00 0.00 C ATOM 619 CD2 PHE A 40 -16.093 1.680 -4.870 1.00 0.00 C ATOM 620 CE1 PHE A 40 -13.373 1.428 -5.258 1.00 0.00 C ATOM 621 CE2 PHE A 40 -15.406 2.642 -5.587 1.00 0.00 C ATOM 622 CZ PHE A 40 -14.044 2.516 -5.781 1.00 0.00 C ATOM 0 H PHE A 40 -14.943 1.083 -0.997 1.00 0.00 H new ATOM 0 HA PHE A 40 -16.593 -1.043 -1.537 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -15.974 -1.440 -3.996 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -17.249 -0.283 -3.671 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.533 -0.379 -4.137 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -17.158 1.784 -4.720 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.308 1.327 -5.408 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -15.934 3.491 -5.995 1.00 0.00 H new ATOM 0 HZ PHE A 40 -13.505 3.267 -6.340 1.00 0.00 H new ATOM 632 N ALA A 41 -14.363 -2.388 -2.443 1.00 0.00 N ATOM 633 CA ALA A 41 -13.135 -3.163 -2.327 1.00 0.00 C ATOM 634 C ALA A 41 -12.304 -3.080 -3.603 1.00 0.00 C ATOM 635 O ALA A 41 -12.794 -2.658 -4.651 1.00 0.00 O ATOM 636 CB ALA A 41 -13.457 -4.609 -1.989 1.00 0.00 C ATOM 0 H ALA A 41 -15.099 -2.842 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.541 -2.737 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.531 -5.178 -1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.995 -4.650 -1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.076 -5.038 -2.777 1.00 0.00 H new ATOM 642 N VAL A 42 -11.040 -3.478 -3.501 1.00 0.00 N ATOM 643 CA VAL A 42 -10.129 -3.445 -4.638 1.00 0.00 C ATOM 644 C VAL A 42 -9.119 -4.589 -4.557 1.00 0.00 C ATOM 645 O VAL A 42 -8.613 -4.908 -3.482 1.00 0.00 O ATOM 646 CB VAL A 42 -9.393 -2.084 -4.708 1.00 0.00 C ATOM 647 CG1 VAL A 42 -8.078 -2.187 -5.474 1.00 0.00 C ATOM 648 CG2 VAL A 42 -10.294 -1.029 -5.331 1.00 0.00 C ATOM 0 H VAL A 42 -10.623 -3.828 -2.639 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.718 -3.569 -5.547 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.151 -1.787 -3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.594 -1.211 -5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.423 -2.904 -4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.276 -2.521 -6.493 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.764 -0.077 -5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.571 -1.336 -6.340 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -11.194 -0.916 -4.727 1.00 0.00 H new ATOM 658 N LYS A 43 -8.829 -5.201 -5.702 1.00 0.00 N ATOM 659 CA LYS A 43 -7.878 -6.307 -5.760 1.00 0.00 C ATOM 660 C LYS A 43 -6.805 -6.050 -6.811 1.00 0.00 C ATOM 661 O LYS A 43 -7.107 -5.873 -7.991 1.00 0.00 O ATOM 662 CB LYS A 43 -8.594 -7.622 -6.059 1.00 0.00 C ATOM 663 CG LYS A 43 -9.779 -7.474 -6.994 1.00 0.00 C ATOM 664 CD LYS A 43 -10.638 -8.722 -6.984 1.00 0.00 C ATOM 665 CE LYS A 43 -11.225 -8.982 -5.606 1.00 0.00 C ATOM 666 NZ LYS A 43 -12.336 -9.974 -5.651 1.00 0.00 N ATOM 0 H LYS A 43 -9.239 -4.950 -6.602 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.398 -6.382 -4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.882 -8.321 -6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.935 -8.061 -5.121 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.378 -6.614 -6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.426 -7.280 -8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.444 -8.616 -7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.040 -9.579 -7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.442 -9.345 -4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.592 -8.046 -5.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.526 -10.326 -4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.192 -9.520 -6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.066 -10.770 -6.264 1.00 0.00 H new ATOM 680 N ARG A 44 -5.550 -6.032 -6.373 1.00 0.00 N ATOM 681 CA ARG A 44 -4.430 -5.796 -7.277 1.00 0.00 C ATOM 682 C ARG A 44 -3.238 -6.676 -6.916 1.00 0.00 C ATOM 683 O ARG A 44 -2.791 -6.693 -5.769 1.00 0.00 O ATOM 684 CB ARG A 44 -4.023 -4.321 -7.241 1.00 0.00 C ATOM 685 CG ARG A 44 -4.042 -3.653 -8.605 1.00 0.00 C ATOM 686 CD ARG A 44 -5.448 -3.233 -9.000 1.00 0.00 C ATOM 687 NE ARG A 44 -6.080 -4.204 -9.888 1.00 0.00 N ATOM 688 CZ ARG A 44 -5.723 -4.390 -11.157 1.00 0.00 C ATOM 689 NH1 ARG A 44 -4.738 -3.676 -11.688 1.00 0.00 N ATOM 690 NH2 ARG A 44 -6.352 -5.292 -11.897 1.00 0.00 N ATOM 0 H ARG A 44 -5.283 -6.178 -5.399 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.751 -6.054 -8.286 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.695 -3.783 -6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.021 -4.239 -6.819 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.390 -2.779 -8.593 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.642 -4.338 -9.352 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.056 -3.113 -8.103 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.411 -2.261 -9.493 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.839 -4.773 -9.514 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.250 -2.981 -11.123 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.469 -3.823 -12.661 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.110 -5.844 -11.494 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.079 -5.434 -12.869 1.00 0.00 H new ATOM 704 N ARG A 45 -2.728 -7.404 -7.904 1.00 0.00 N ATOM 705 CA ARG A 45 -1.585 -8.288 -7.695 1.00 0.00 C ATOM 706 C ARG A 45 -0.376 -7.510 -7.178 1.00 0.00 C ATOM 707 O ARG A 45 -0.392 -6.280 -7.132 1.00 0.00 O ATOM 708 CB ARG A 45 -1.235 -9.022 -8.997 1.00 0.00 C ATOM 709 CG ARG A 45 -0.486 -8.173 -10.018 1.00 0.00 C ATOM 710 CD ARG A 45 -1.424 -7.260 -10.792 1.00 0.00 C ATOM 711 NE ARG A 45 -2.394 -8.013 -11.585 1.00 0.00 N ATOM 712 CZ ARG A 45 -3.055 -7.507 -12.624 1.00 0.00 C ATOM 713 NH1 ARG A 45 -2.857 -6.248 -12.999 1.00 0.00 N ATOM 714 NH2 ARG A 45 -3.917 -8.262 -13.292 1.00 0.00 N ATOM 0 H ARG A 45 -3.088 -7.400 -8.858 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.859 -9.025 -6.940 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.630 -9.896 -8.756 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.155 -9.388 -9.452 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.267 -7.572 -9.508 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.043 -8.824 -10.714 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.953 -6.610 -10.095 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.841 -6.615 -11.450 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.575 -8.983 -11.327 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.195 -5.662 -12.490 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.367 -5.867 -13.796 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.073 -9.230 -13.010 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.424 -7.875 -14.088 1.00 0.00 H new ATOM 728 N PHE A 46 0.668 -8.236 -6.791 1.00 0.00 N ATOM 729 CA PHE A 46 1.884 -7.614 -6.277 1.00 0.00 C ATOM 730 C PHE A 46 2.544 -6.742 -7.340 1.00 0.00 C ATOM 731 O PHE A 46 3.107 -5.691 -7.034 1.00 0.00 O ATOM 732 CB PHE A 46 2.867 -8.685 -5.796 1.00 0.00 C ATOM 733 CG PHE A 46 4.143 -8.126 -5.228 1.00 0.00 C ATOM 734 CD1 PHE A 46 4.124 -6.997 -4.422 1.00 0.00 C ATOM 735 CD2 PHE A 46 5.360 -8.730 -5.500 1.00 0.00 C ATOM 736 CE1 PHE A 46 5.296 -6.482 -3.900 1.00 0.00 C ATOM 737 CE2 PHE A 46 6.534 -8.219 -4.980 1.00 0.00 C ATOM 738 CZ PHE A 46 6.502 -7.095 -4.179 1.00 0.00 C ATOM 0 H PHE A 46 0.697 -9.255 -6.823 1.00 0.00 H new ATOM 0 HA PHE A 46 1.607 -6.980 -5.435 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.380 -9.298 -5.037 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.109 -9.344 -6.630 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.183 -6.515 -4.200 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.391 -9.610 -6.125 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.269 -5.602 -3.275 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.476 -8.699 -5.200 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.419 -6.696 -3.771 1.00 0.00 H new ATOM 748 N SER A 47 2.472 -7.185 -8.592 1.00 0.00 N ATOM 749 CA SER A 47 3.064 -6.445 -9.702 1.00 0.00 C ATOM 750 C SER A 47 2.545 -5.010 -9.744 1.00 0.00 C ATOM 751 O SER A 47 3.323 -4.061 -9.844 1.00 0.00 O ATOM 752 CB SER A 47 2.763 -7.148 -11.028 1.00 0.00 C ATOM 753 OG SER A 47 3.780 -8.081 -11.352 1.00 0.00 O ATOM 0 H SER A 47 2.010 -8.053 -8.863 1.00 0.00 H new ATOM 0 HA SER A 47 4.143 -6.415 -9.549 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.803 -7.660 -10.962 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.676 -6.408 -11.824 1.00 0.00 H new ATOM 0 HG SER A 47 3.564 -8.518 -12.202 1.00 0.00 H new ATOM 759 N ASP A 48 1.226 -4.858 -9.664 1.00 0.00 N ATOM 760 CA ASP A 48 0.605 -3.539 -9.691 1.00 0.00 C ATOM 761 C ASP A 48 0.884 -2.785 -8.394 1.00 0.00 C ATOM 762 O ASP A 48 1.343 -1.642 -8.413 1.00 0.00 O ATOM 763 CB ASP A 48 -0.904 -3.669 -9.904 1.00 0.00 C ATOM 764 CG ASP A 48 -1.515 -2.420 -10.508 1.00 0.00 C ATOM 765 OD1 ASP A 48 -1.555 -2.320 -11.752 1.00 0.00 O ATOM 766 OD2 ASP A 48 -1.954 -1.542 -9.736 1.00 0.00 O ATOM 0 H ASP A 48 0.567 -5.632 -9.580 1.00 0.00 H new ATOM 0 HA ASP A 48 1.034 -2.976 -10.520 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.104 -4.519 -10.556 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.386 -3.880 -8.949 1.00 0.00 H new ATOM 771 N PHE A 49 0.611 -3.437 -7.271 1.00 0.00 N ATOM 772 CA PHE A 49 0.835 -2.840 -5.959 1.00 0.00 C ATOM 773 C PHE A 49 2.297 -2.433 -5.786 1.00 0.00 C ATOM 774 O PHE A 49 2.615 -1.514 -5.033 1.00 0.00 O ATOM 775 CB PHE A 49 0.430 -3.819 -4.857 1.00 0.00 C ATOM 776 CG PHE A 49 -0.426 -3.196 -3.792 1.00 0.00 C ATOM 777 CD1 PHE A 49 -0.195 -1.896 -3.377 1.00 0.00 C ATOM 778 CD2 PHE A 49 -1.459 -3.911 -3.210 1.00 0.00 C ATOM 779 CE1 PHE A 49 -0.981 -1.317 -2.399 1.00 0.00 C ATOM 780 CE2 PHE A 49 -2.249 -3.338 -2.231 1.00 0.00 C ATOM 781 CZ PHE A 49 -2.010 -2.039 -1.825 1.00 0.00 C ATOM 0 H PHE A 49 0.232 -4.384 -7.242 1.00 0.00 H new ATOM 0 HA PHE A 49 0.219 -1.944 -5.884 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.109 -4.655 -5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.329 -4.229 -4.397 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.608 -1.328 -3.822 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.649 -4.927 -3.524 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.791 -0.302 -2.084 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.052 -3.905 -1.784 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.626 -1.589 -1.061 1.00 0.00 H new ATOM 791 N LEU A 50 3.177 -3.134 -6.490 1.00 0.00 N ATOM 792 CA LEU A 50 4.611 -2.870 -6.426 1.00 0.00 C ATOM 793 C LEU A 50 4.930 -1.413 -6.755 1.00 0.00 C ATOM 794 O LEU A 50 5.883 -0.843 -6.225 1.00 0.00 O ATOM 795 CB LEU A 50 5.360 -3.792 -7.390 1.00 0.00 C ATOM 796 CG LEU A 50 6.876 -3.583 -7.440 1.00 0.00 C ATOM 797 CD1 LEU A 50 7.599 -4.918 -7.527 1.00 0.00 C ATOM 798 CD2 LEU A 50 7.253 -2.694 -8.616 1.00 0.00 C ATOM 0 H LEU A 50 2.921 -3.896 -7.117 1.00 0.00 H new ATOM 0 HA LEU A 50 4.937 -3.066 -5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.160 -4.826 -7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.956 -3.650 -8.392 1.00 0.00 H new ATOM 0 HG LEU A 50 7.184 -3.087 -6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.675 -4.747 -7.562 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.355 -5.522 -6.653 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.286 -5.443 -8.429 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.334 -2.556 -8.636 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.930 -3.163 -9.545 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.766 -1.725 -8.510 1.00 0.00 H new ATOM 810 N GLY A 51 4.137 -0.820 -7.644 1.00 0.00 N ATOM 811 CA GLY A 51 4.365 0.562 -8.040 1.00 0.00 C ATOM 812 C GLY A 51 4.566 1.499 -6.861 1.00 0.00 C ATOM 813 O GLY A 51 5.584 2.186 -6.779 1.00 0.00 O ATOM 0 H GLY A 51 3.342 -1.270 -8.097 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.242 0.608 -8.685 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.517 0.908 -8.630 1.00 0.00 H new ATOM 817 N LEU A 52 3.603 1.529 -5.945 1.00 0.00 N ATOM 818 CA LEU A 52 3.696 2.394 -4.772 1.00 0.00 C ATOM 819 C LEU A 52 4.610 1.774 -3.732 1.00 0.00 C ATOM 820 O LEU A 52 5.348 2.468 -3.039 1.00 0.00 O ATOM 821 CB LEU A 52 2.314 2.632 -4.156 1.00 0.00 C ATOM 822 CG LEU A 52 1.175 2.876 -5.148 1.00 0.00 C ATOM 823 CD1 LEU A 52 0.125 3.792 -4.531 1.00 0.00 C ATOM 824 CD2 LEU A 52 1.712 3.464 -6.445 1.00 0.00 C ATOM 0 H LEU A 52 2.753 0.967 -5.991 1.00 0.00 H new ATOM 0 HA LEU A 52 4.107 3.351 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.057 1.769 -3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.378 3.490 -3.487 1.00 0.00 H new ATOM 0 HG LEU A 52 0.704 1.921 -5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.680 3.957 -5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.280 3.328 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.582 4.747 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.887 3.631 -7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.208 4.412 -6.237 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.426 2.771 -6.890 1.00 0.00 H new ATOM 836 N TYR A 53 4.546 0.459 -3.633 1.00 0.00 N ATOM 837 CA TYR A 53 5.363 -0.279 -2.674 1.00 0.00 C ATOM 838 C TYR A 53 6.843 0.070 -2.833 1.00 0.00 C ATOM 839 O TYR A 53 7.530 0.360 -1.854 1.00 0.00 O ATOM 840 CB TYR A 53 5.142 -1.787 -2.847 1.00 0.00 C ATOM 841 CG TYR A 53 6.284 -2.647 -2.345 1.00 0.00 C ATOM 842 CD1 TYR A 53 6.458 -2.881 -0.987 1.00 0.00 C ATOM 843 CD2 TYR A 53 7.185 -3.223 -3.231 1.00 0.00 C ATOM 844 CE1 TYR A 53 7.500 -3.664 -0.526 1.00 0.00 C ATOM 845 CE2 TYR A 53 8.228 -4.008 -2.779 1.00 0.00 C ATOM 846 CZ TYR A 53 8.381 -4.226 -1.426 1.00 0.00 C ATOM 847 OH TYR A 53 9.418 -5.007 -0.970 1.00 0.00 O ATOM 0 H TYR A 53 3.936 -0.126 -4.205 1.00 0.00 H new ATOM 0 HA TYR A 53 5.058 0.008 -1.668 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.230 -2.071 -2.321 1.00 0.00 H new ATOM 0 HB3 TYR A 53 4.980 -2.000 -3.904 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.768 -2.444 -0.280 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.068 -3.054 -4.291 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.623 -3.835 0.533 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.920 -4.449 -3.482 1.00 0.00 H new ATOM 0 HH TYR A 53 9.946 -5.327 -1.731 1.00 0.00 H new ATOM 857 N GLU A 54 7.329 0.034 -4.069 1.00 0.00 N ATOM 858 CA GLU A 54 8.728 0.343 -4.349 1.00 0.00 C ATOM 859 C GLU A 54 8.985 1.848 -4.288 1.00 0.00 C ATOM 860 O GLU A 54 10.038 2.289 -3.831 1.00 0.00 O ATOM 861 CB GLU A 54 9.126 -0.198 -5.723 1.00 0.00 C ATOM 862 CG GLU A 54 8.354 0.429 -6.871 1.00 0.00 C ATOM 863 CD GLU A 54 9.098 1.586 -7.510 1.00 0.00 C ATOM 864 OE1 GLU A 54 10.344 1.611 -7.423 1.00 0.00 O ATOM 865 OE2 GLU A 54 8.435 2.466 -8.098 1.00 0.00 O ATOM 0 H GLU A 54 6.777 -0.206 -4.892 1.00 0.00 H new ATOM 0 HA GLU A 54 9.336 -0.139 -3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.191 -0.027 -5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.971 -1.277 -5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.153 -0.330 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.388 0.780 -6.506 1.00 0.00 H new ATOM 872 N LYS A 55 8.018 2.629 -4.758 1.00 0.00 N ATOM 873 CA LYS A 55 8.144 4.084 -4.762 1.00 0.00 C ATOM 874 C LYS A 55 8.106 4.648 -3.343 1.00 0.00 C ATOM 875 O LYS A 55 8.881 5.540 -2.998 1.00 0.00 O ATOM 876 CB LYS A 55 7.026 4.709 -5.600 1.00 0.00 C ATOM 877 CG LYS A 55 7.355 6.104 -6.107 1.00 0.00 C ATOM 878 CD LYS A 55 6.885 6.305 -7.539 1.00 0.00 C ATOM 879 CE LYS A 55 7.895 7.097 -8.352 1.00 0.00 C ATOM 880 NZ LYS A 55 7.525 8.536 -8.448 1.00 0.00 N ATOM 0 H LYS A 55 7.139 2.280 -5.141 1.00 0.00 H new ATOM 0 HA LYS A 55 9.109 4.335 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.816 4.062 -6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.116 4.754 -5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.885 6.846 -5.462 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.431 6.268 -6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.720 5.335 -8.008 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.928 6.826 -7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.880 7.005 -7.895 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.967 6.673 -9.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.239 9.041 -9.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.596 8.626 -8.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.481 8.948 -7.494 1.00 0.00 H new ATOM 894 N LEU A 56 7.192 4.132 -2.533 1.00 0.00 N ATOM 895 CA LEU A 56 7.036 4.585 -1.155 1.00 0.00 C ATOM 896 C LEU A 56 8.045 3.920 -0.226 1.00 0.00 C ATOM 897 O LEU A 56 8.384 4.466 0.822 1.00 0.00 O ATOM 898 CB LEU A 56 5.613 4.323 -0.658 1.00 0.00 C ATOM 899 CG LEU A 56 4.610 5.441 -0.951 1.00 0.00 C ATOM 900 CD1 LEU A 56 5.149 6.782 -0.477 1.00 0.00 C ATOM 901 CD2 LEU A 56 4.286 5.493 -2.436 1.00 0.00 C ATOM 0 H LEU A 56 6.543 3.395 -2.807 1.00 0.00 H new ATOM 0 HA LEU A 56 7.225 5.659 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.250 3.401 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.645 4.157 0.419 1.00 0.00 H new ATOM 0 HG LEU A 56 3.691 5.227 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.421 7.564 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.329 6.742 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.083 7.002 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.571 6.294 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.199 5.681 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.855 4.542 -2.748 1.00 0.00 H new ATOM 913 N SER A 57 8.514 2.735 -0.602 1.00 0.00 N ATOM 914 CA SER A 57 9.472 2.004 0.221 1.00 0.00 C ATOM 915 C SER A 57 10.714 2.851 0.488 1.00 0.00 C ATOM 916 O SER A 57 11.336 2.738 1.545 1.00 0.00 O ATOM 917 CB SER A 57 9.869 0.693 -0.463 1.00 0.00 C ATOM 918 OG SER A 57 11.070 0.174 0.084 1.00 0.00 O ATOM 0 H SER A 57 8.249 2.262 -1.466 1.00 0.00 H new ATOM 0 HA SER A 57 8.997 1.776 1.175 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.068 -0.038 -0.348 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.996 0.861 -1.532 1.00 0.00 H new ATOM 0 HG SER A 57 11.301 -0.664 -0.369 1.00 0.00 H new ATOM 924 N GLU A 58 11.062 3.707 -0.465 1.00 0.00 N ATOM 925 CA GLU A 58 12.220 4.580 -0.316 1.00 0.00 C ATOM 926 C GLU A 58 12.050 5.491 0.898 1.00 0.00 C ATOM 927 O GLU A 58 12.996 5.721 1.654 1.00 0.00 O ATOM 928 CB GLU A 58 12.420 5.422 -1.578 1.00 0.00 C ATOM 929 CG GLU A 58 13.602 6.376 -1.494 1.00 0.00 C ATOM 930 CD GLU A 58 13.202 7.759 -1.019 1.00 0.00 C ATOM 931 OE1 GLU A 58 12.109 7.892 -0.428 1.00 0.00 O ATOM 932 OE2 GLU A 58 13.981 8.711 -1.238 1.00 0.00 O ATOM 0 H GLU A 58 10.561 3.815 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 58 13.102 3.957 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.561 4.757 -2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.513 5.996 -1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.349 5.965 -0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.071 6.454 -2.475 1.00 0.00 H new ATOM 939 N LYS A 59 10.836 6.006 1.078 1.00 0.00 N ATOM 940 CA LYS A 59 10.533 6.890 2.199 1.00 0.00 C ATOM 941 C LYS A 59 10.053 6.090 3.410 1.00 0.00 C ATOM 942 O LYS A 59 10.503 6.315 4.533 1.00 0.00 O ATOM 943 CB LYS A 59 9.468 7.913 1.785 1.00 0.00 C ATOM 944 CG LYS A 59 8.908 8.729 2.944 1.00 0.00 C ATOM 945 CD LYS A 59 7.417 8.492 3.126 1.00 0.00 C ATOM 946 CE LYS A 59 7.051 8.324 4.592 1.00 0.00 C ATOM 947 NZ LYS A 59 6.850 9.635 5.269 1.00 0.00 N ATOM 0 H LYS A 59 10.045 5.825 0.460 1.00 0.00 H new ATOM 0 HA LYS A 59 11.445 7.416 2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.899 8.593 1.050 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.648 7.390 1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.434 8.466 3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.089 9.789 2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 59 6.861 9.330 2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.119 7.602 2.572 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.140 7.730 4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.839 7.770 5.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.424 9.481 6.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.767 10.113 5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.218 10.229 4.695 1.00 0.00 H new ATOM 961 N HIS A 60 9.138 5.156 3.169 1.00 0.00 N ATOM 962 CA HIS A 60 8.593 4.317 4.232 1.00 0.00 C ATOM 963 C HIS A 60 7.939 5.159 5.325 1.00 0.00 C ATOM 964 O HIS A 60 8.613 5.902 6.038 1.00 0.00 O ATOM 965 CB HIS A 60 9.692 3.439 4.834 1.00 0.00 C ATOM 966 CG HIS A 60 9.578 1.998 4.449 1.00 0.00 C ATOM 967 ND1 HIS A 60 10.636 1.116 4.510 1.00 0.00 N ATOM 968 CD2 HIS A 60 8.521 1.283 3.996 1.00 0.00 C ATOM 969 CE1 HIS A 60 10.235 -0.078 4.108 1.00 0.00 C ATOM 970 NE2 HIS A 60 8.955 -0.002 3.793 1.00 0.00 N ATOM 0 H HIS A 60 8.757 4.960 2.243 1.00 0.00 H new ATOM 0 HA HIS A 60 7.827 3.679 3.792 1.00 0.00 H new ATOM 0 HB2 HIS A 60 10.664 3.817 4.516 1.00 0.00 H new ATOM 0 HB3 HIS A 60 9.658 3.521 5.920 1.00 0.00 H new ATOM 0 HD2 HIS A 60 7.522 1.656 3.826 1.00 0.00 H new ATOM 0 HE1 HIS A 60 10.849 -0.964 4.048 1.00 0.00 H new ATOM 0 HE2 HIS A 60 8.382 -0.774 3.454 1.00 0.00 H new ATOM 979 N SER A 61 6.622 5.032 5.455 1.00 0.00 N ATOM 980 CA SER A 61 5.877 5.776 6.465 1.00 0.00 C ATOM 981 C SER A 61 5.615 4.906 7.691 1.00 0.00 C ATOM 982 O SER A 61 6.096 3.776 7.776 1.00 0.00 O ATOM 983 CB SER A 61 4.553 6.280 5.888 1.00 0.00 C ATOM 984 OG SER A 61 4.321 7.631 6.247 1.00 0.00 O ATOM 0 H SER A 61 6.049 4.421 4.874 1.00 0.00 H new ATOM 0 HA SER A 61 6.478 6.633 6.769 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.567 6.186 4.802 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.735 5.658 6.251 1.00 0.00 H new ATOM 0 HG SER A 61 3.469 7.929 5.865 1.00 0.00 H new ATOM 990 N GLN A 62 4.849 5.438 8.640 1.00 0.00 N ATOM 991 CA GLN A 62 4.524 4.705 9.860 1.00 0.00 C ATOM 992 C GLN A 62 3.619 5.531 10.772 1.00 0.00 C ATOM 993 O GLN A 62 2.430 5.242 10.907 1.00 0.00 O ATOM 994 CB GLN A 62 5.804 4.313 10.605 1.00 0.00 C ATOM 995 CG GLN A 62 5.783 2.893 11.145 1.00 0.00 C ATOM 996 CD GLN A 62 4.703 2.681 12.188 1.00 0.00 C ATOM 997 OE1 GLN A 62 4.786 3.202 13.299 1.00 0.00 O ATOM 998 NE2 GLN A 62 3.681 1.911 11.833 1.00 0.00 N ATOM 0 H GLN A 62 4.443 6.372 8.588 1.00 0.00 H new ATOM 0 HA GLN A 62 3.988 3.800 9.575 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.654 4.424 9.932 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.959 5.005 11.433 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.628 2.197 10.320 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.754 2.660 11.581 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.653 1.499 10.900 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.924 1.732 12.493 1.00 0.00 H new ATOM 1007 N ASN A 63 4.190 6.556 11.398 1.00 0.00 N ATOM 1008 CA ASN A 63 3.434 7.418 12.298 1.00 0.00 C ATOM 1009 C ASN A 63 3.369 8.845 11.763 1.00 0.00 C ATOM 1010 O ASN A 63 4.362 9.376 11.263 1.00 0.00 O ATOM 1011 CB ASN A 63 4.064 7.412 13.691 1.00 0.00 C ATOM 1012 CG ASN A 63 5.562 7.646 13.648 1.00 0.00 C ATOM 1013 OD1 ASN A 63 6.023 8.787 13.627 1.00 0.00 O ATOM 1014 ND2 ASN A 63 6.330 6.563 13.635 1.00 0.00 N ATOM 0 H ASN A 63 5.173 6.809 11.298 1.00 0.00 H new ATOM 0 HA ASN A 63 2.418 7.029 12.363 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.596 8.184 14.302 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.862 6.456 14.174 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.345 6.658 13.607 1.00 0.00 H new ATOM 0 HD22 ASN A 63 5.905 5.636 13.653 1.00 0.00 H new ATOM 1021 N GLY A 64 2.198 9.464 11.875 1.00 0.00 N ATOM 1022 CA GLY A 64 2.031 10.825 11.403 1.00 0.00 C ATOM 1023 C GLY A 64 0.683 11.055 10.744 1.00 0.00 C ATOM 1024 O GLY A 64 -0.359 10.772 11.334 1.00 0.00 O ATOM 0 H GLY A 64 1.362 9.047 12.284 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.143 11.512 12.242 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.823 11.058 10.692 1.00 0.00 H new ATOM 1028 N PHE A 65 0.707 11.571 9.517 1.00 0.00 N ATOM 1029 CA PHE A 65 -0.517 11.843 8.764 1.00 0.00 C ATOM 1030 C PHE A 65 -1.249 13.062 9.319 1.00 0.00 C ATOM 1031 O PHE A 65 -1.425 14.060 8.621 1.00 0.00 O ATOM 1032 CB PHE A 65 -1.443 10.625 8.781 1.00 0.00 C ATOM 1033 CG PHE A 65 -0.744 9.338 8.454 1.00 0.00 C ATOM 1034 CD1 PHE A 65 0.040 9.232 7.315 1.00 0.00 C ATOM 1035 CD2 PHE A 65 -0.867 8.236 9.283 1.00 0.00 C ATOM 1036 CE1 PHE A 65 0.687 8.050 7.011 1.00 0.00 C ATOM 1037 CE2 PHE A 65 -0.223 7.051 8.985 1.00 0.00 C ATOM 1038 CZ PHE A 65 0.556 6.958 7.847 1.00 0.00 C ATOM 0 H PHE A 65 1.565 11.810 9.020 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.230 12.055 7.734 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.901 10.540 9.766 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.251 10.782 8.066 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.146 10.083 6.658 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.474 8.304 10.174 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.295 7.980 6.121 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.328 6.199 9.640 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.061 6.033 7.612 1.00 0.00 H new ATOM 1048 N ILE A 66 -1.680 12.974 10.574 1.00 0.00 N ATOM 1049 CA ILE A 66 -2.398 14.073 11.212 1.00 0.00 C ATOM 1050 C ILE A 66 -1.443 15.003 11.961 1.00 0.00 C ATOM 1051 O ILE A 66 -1.736 15.448 13.070 1.00 0.00 O ATOM 1052 CB ILE A 66 -3.473 13.548 12.188 1.00 0.00 C ATOM 1053 CG1 ILE A 66 -4.325 14.703 12.719 1.00 0.00 C ATOM 1054 CG2 ILE A 66 -2.827 12.786 13.337 1.00 0.00 C ATOM 1055 CD1 ILE A 66 -5.746 14.303 13.053 1.00 0.00 C ATOM 0 H ILE A 66 -1.545 12.156 11.168 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.886 14.636 10.417 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.124 12.862 11.646 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.852 15.112 13.612 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.346 15.500 11.976 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.601 12.424 14.014 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.265 11.939 12.942 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.152 13.448 13.879 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.291 15.171 13.423 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.237 13.922 12.158 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.735 13.528 13.819 1.00 0.00 H new ATOM 1067 N VAL A 67 -0.298 15.294 11.347 1.00 0.00 N ATOM 1068 CA VAL A 67 0.692 16.174 11.961 1.00 0.00 C ATOM 1069 C VAL A 67 1.180 17.233 10.971 1.00 0.00 C ATOM 1070 O VAL A 67 1.416 16.935 9.799 1.00 0.00 O ATOM 1071 CB VAL A 67 1.912 15.389 12.503 1.00 0.00 C ATOM 1072 CG1 VAL A 67 2.063 15.603 14.000 1.00 0.00 C ATOM 1073 CG2 VAL A 67 1.796 13.906 12.183 1.00 0.00 C ATOM 0 H VAL A 67 -0.034 14.935 10.429 1.00 0.00 H new ATOM 0 HA VAL A 67 0.192 16.661 12.798 1.00 0.00 H new ATOM 0 HB VAL A 67 2.805 15.771 12.007 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.925 15.044 14.362 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.207 16.664 14.203 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.165 15.255 14.510 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.666 13.380 12.575 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.892 13.505 12.641 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.746 13.770 11.103 1.00 0.00 H new ATOM 1083 N PRO A 68 1.340 18.488 11.432 1.00 0.00 N ATOM 1084 CA PRO A 68 1.800 19.595 10.593 1.00 0.00 C ATOM 1085 C PRO A 68 2.968 19.211 9.679 1.00 0.00 C ATOM 1086 O PRO A 68 2.925 19.470 8.475 1.00 0.00 O ATOM 1087 CB PRO A 68 2.239 20.672 11.599 1.00 0.00 C ATOM 1088 CG PRO A 68 2.007 20.101 12.967 1.00 0.00 C ATOM 1089 CD PRO A 68 1.080 18.931 12.805 1.00 0.00 C ATOM 0 HA PRO A 68 1.012 19.924 9.915 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.289 20.928 11.459 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.666 21.589 11.460 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.948 19.787 13.418 1.00 0.00 H new ATOM 0 HG3 PRO A 68 1.571 20.850 13.628 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.293 18.145 13.529 1.00 0.00 H new ATOM 0 HD3 PRO A 68 0.038 19.220 12.945 1.00 0.00 H new ATOM 1097 N PRO A 69 4.035 18.599 10.236 1.00 0.00 N ATOM 1098 CA PRO A 69 5.216 18.194 9.467 1.00 0.00 C ATOM 1099 C PRO A 69 4.885 17.709 8.055 1.00 0.00 C ATOM 1100 O PRO A 69 3.794 17.201 7.803 1.00 0.00 O ATOM 1101 CB PRO A 69 5.777 17.054 10.308 1.00 0.00 C ATOM 1102 CG PRO A 69 5.451 17.432 11.714 1.00 0.00 C ATOM 1103 CD PRO A 69 4.188 18.261 11.666 1.00 0.00 C ATOM 0 HA PRO A 69 5.904 19.024 9.306 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.323 16.101 10.038 1.00 0.00 H new ATOM 0 HB3 PRO A 69 6.852 16.947 10.165 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.306 16.544 12.329 1.00 0.00 H new ATOM 0 HG3 PRO A 69 6.268 17.999 12.160 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.329 17.702 12.038 1.00 0.00 H new ATOM 0 HD3 PRO A 69 4.275 19.157 12.281 1.00 0.00 H new ATOM 1111 N PRO A 70 5.832 17.868 7.110 1.00 0.00 N ATOM 1112 CA PRO A 70 5.640 17.451 5.716 1.00 0.00 C ATOM 1113 C PRO A 70 5.291 15.970 5.590 1.00 0.00 C ATOM 1114 O PRO A 70 5.217 15.252 6.588 1.00 0.00 O ATOM 1115 CB PRO A 70 6.996 17.732 5.061 1.00 0.00 C ATOM 1116 CG PRO A 70 7.639 18.756 5.931 1.00 0.00 C ATOM 1117 CD PRO A 70 7.160 18.471 7.326 1.00 0.00 C ATOM 0 HA PRO A 70 4.809 17.981 5.252 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.601 16.827 5.003 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.874 18.100 4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.726 18.693 5.871 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.360 19.763 5.620 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.831 17.791 7.851 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.097 19.380 7.924 1.00 0.00 H new ATOM 1125 N PRO A 71 5.069 15.495 4.352 1.00 0.00 N ATOM 1126 CA PRO A 71 4.724 14.094 4.088 1.00 0.00 C ATOM 1127 C PRO A 71 5.839 13.134 4.488 1.00 0.00 C ATOM 1128 O PRO A 71 5.645 12.254 5.326 1.00 0.00 O ATOM 1129 CB PRO A 71 4.508 14.049 2.569 1.00 0.00 C ATOM 1130 CG PRO A 71 4.318 15.469 2.155 1.00 0.00 C ATOM 1131 CD PRO A 71 5.134 16.286 3.113 1.00 0.00 C ATOM 0 HA PRO A 71 3.854 13.782 4.665 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.365 13.603 2.063 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.637 13.445 2.313 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.649 15.625 1.128 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.266 15.751 2.197 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.160 16.411 2.766 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.719 17.285 3.248 1.00 0.00 H new ATOM 1139 N GLU A 72 7.006 13.307 3.875 1.00 0.00 N ATOM 1140 CA GLU A 72 8.155 12.454 4.157 1.00 0.00 C ATOM 1141 C GLU A 72 8.667 12.669 5.579 1.00 0.00 C ATOM 1142 O GLU A 72 9.727 13.260 5.785 1.00 0.00 O ATOM 1143 CB GLU A 72 9.277 12.727 3.152 1.00 0.00 C ATOM 1144 CG GLU A 72 9.778 14.163 3.175 1.00 0.00 C ATOM 1145 CD GLU A 72 11.198 14.277 3.693 1.00 0.00 C ATOM 1146 OE1 GLU A 72 11.982 13.325 3.495 1.00 0.00 O ATOM 1147 OE2 GLU A 72 11.528 15.321 4.295 1.00 0.00 O ATOM 0 H GLU A 72 7.181 14.032 3.179 1.00 0.00 H new ATOM 0 HA GLU A 72 7.833 11.417 4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.111 12.057 3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.921 12.491 2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.728 14.577 2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.118 14.764 3.800 1.00 0.00 H new ATOM 1154 N LYS A 73 7.910 12.180 6.557 1.00 0.00 N ATOM 1155 CA LYS A 73 8.291 12.315 7.958 1.00 0.00 C ATOM 1156 C LYS A 73 8.155 10.981 8.689 1.00 0.00 C ATOM 1157 O LYS A 73 7.450 10.879 9.693 1.00 0.00 O ATOM 1158 CB LYS A 73 7.430 13.379 8.645 1.00 0.00 C ATOM 1159 CG LYS A 73 7.685 14.790 8.137 1.00 0.00 C ATOM 1160 CD LYS A 73 9.155 15.169 8.233 1.00 0.00 C ATOM 1161 CE LYS A 73 9.669 15.065 9.661 1.00 0.00 C ATOM 1162 NZ LYS A 73 9.034 16.073 10.553 1.00 0.00 N ATOM 0 H LYS A 73 7.030 11.687 6.405 1.00 0.00 H new ATOM 0 HA LYS A 73 9.335 12.625 7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.378 13.134 8.498 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.618 13.349 9.718 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.357 14.868 7.101 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.089 15.497 8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.742 14.517 7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.293 16.187 7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.472 14.064 10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.750 15.203 9.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.691 16.321 11.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.804 16.926 10.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.162 15.677 10.959 1.00 0.00 H new ATOM 1176 N SER A 74 8.837 9.962 8.176 1.00 0.00 N ATOM 1177 CA SER A 74 8.797 8.633 8.777 1.00 0.00 C ATOM 1178 C SER A 74 9.797 7.701 8.099 1.00 0.00 C ATOM 1179 O SER A 74 10.463 8.085 7.138 1.00 0.00 O ATOM 1180 CB SER A 74 7.386 8.047 8.680 1.00 0.00 C ATOM 1181 OG SER A 74 6.633 8.693 7.668 1.00 0.00 O ATOM 0 H SER A 74 9.424 10.031 7.345 1.00 0.00 H new ATOM 0 HA SER A 74 9.070 8.728 9.828 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.446 6.980 8.467 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.878 8.153 9.639 1.00 0.00 H new ATOM 0 HG SER A 74 5.677 8.557 7.834 1.00 0.00 H new ATOM 1187 N LEU A 75 9.901 6.476 8.608 1.00 0.00 N ATOM 1188 CA LEU A 75 10.823 5.493 8.050 1.00 0.00 C ATOM 1189 C LEU A 75 10.451 4.079 8.490 1.00 0.00 C ATOM 1190 O LEU A 75 11.318 3.216 8.623 1.00 0.00 O ATOM 1191 CB LEU A 75 12.258 5.815 8.479 1.00 0.00 C ATOM 1192 CG LEU A 75 13.270 5.940 7.338 1.00 0.00 C ATOM 1193 CD1 LEU A 75 13.246 4.699 6.458 1.00 0.00 C ATOM 1194 CD2 LEU A 75 12.989 7.188 6.512 1.00 0.00 C ATOM 0 H LEU A 75 9.359 6.142 9.405 1.00 0.00 H new ATOM 0 HA LEU A 75 10.753 5.541 6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 75 12.251 6.750 9.040 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.599 5.036 9.161 1.00 0.00 H new ATOM 0 HG LEU A 75 14.266 6.030 7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.973 4.809 5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.497 3.824 7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 75 12.250 4.574 6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.718 7.262 5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.986 7.127 6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.062 8.070 7.149 1.00 0.00 H new ATOM 1206 N ILE A 76 9.157 3.851 8.712 1.00 0.00 N ATOM 1207 CA ILE A 76 8.659 2.543 9.139 1.00 0.00 C ATOM 1208 C ILE A 76 9.508 1.963 10.274 1.00 0.00 C ATOM 1209 O ILE A 76 10.381 2.641 10.816 1.00 0.00 O ATOM 1210 CB ILE A 76 8.591 1.546 7.948 1.00 0.00 C ATOM 1211 CG1 ILE A 76 7.329 0.684 8.049 1.00 0.00 C ATOM 1212 CG2 ILE A 76 9.835 0.664 7.873 1.00 0.00 C ATOM 1213 CD1 ILE A 76 6.225 1.119 7.110 1.00 0.00 C ATOM 0 H ILE A 76 8.431 4.559 8.603 1.00 0.00 H new ATOM 0 HA ILE A 76 7.647 2.693 9.516 1.00 0.00 H new ATOM 0 HB ILE A 76 8.550 2.132 7.030 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.589 -0.353 7.836 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.958 0.716 9.073 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.747 -0.018 7.027 1.00 0.00 H new ATOM 0 HG22 ILE A 76 10.718 1.290 7.744 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.930 0.089 8.794 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.362 0.465 7.235 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.938 2.146 7.337 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.579 1.060 6.081 1.00 0.00 H new ATOM 1225 N GLY A 77 9.244 0.709 10.629 1.00 0.00 N ATOM 1226 CA GLY A 77 9.993 0.069 11.695 1.00 0.00 C ATOM 1227 C GLY A 77 9.098 -0.464 12.797 1.00 0.00 C ATOM 1228 O GLY A 77 8.448 -1.496 12.633 1.00 0.00 O ATOM 0 H GLY A 77 8.526 0.126 10.198 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.580 -0.750 11.280 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.698 0.784 12.119 1.00 0.00 H new ATOM 1232 N MET A 78 9.065 0.244 13.923 1.00 0.00 N ATOM 1233 CA MET A 78 8.245 -0.159 15.062 1.00 0.00 C ATOM 1234 C MET A 78 8.787 -1.434 15.700 1.00 0.00 C ATOM 1235 O MET A 78 9.273 -1.416 16.831 1.00 0.00 O ATOM 1236 CB MET A 78 6.790 -0.366 14.634 1.00 0.00 C ATOM 1237 CG MET A 78 5.828 -0.522 15.801 1.00 0.00 C ATOM 1238 SD MET A 78 5.877 0.881 16.933 1.00 0.00 S ATOM 1239 CE MET A 78 4.585 1.912 16.246 1.00 0.00 C ATOM 0 H MET A 78 9.598 1.101 14.071 1.00 0.00 H new ATOM 0 HA MET A 78 8.284 0.642 15.801 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.475 0.482 14.025 1.00 0.00 H new ATOM 0 HB3 MET A 78 6.728 -1.252 14.002 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.814 -0.640 15.418 1.00 0.00 H new ATOM 0 HG3 MET A 78 6.070 -1.434 16.347 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.924 2.947 16.213 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.349 1.575 15.236 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.694 1.842 16.869 1.00 0.00 H new ATOM 1249 N THR A 79 8.702 -2.539 14.966 1.00 0.00 N ATOM 1250 CA THR A 79 9.185 -3.824 15.460 1.00 0.00 C ATOM 1251 C THR A 79 10.190 -4.436 14.490 1.00 0.00 C ATOM 1252 O THR A 79 9.817 -4.936 13.429 1.00 0.00 O ATOM 1253 CB THR A 79 8.014 -4.784 15.676 1.00 0.00 C ATOM 1254 OG1 THR A 79 7.449 -5.172 14.436 1.00 0.00 O ATOM 1255 CG2 THR A 79 6.906 -4.194 16.520 1.00 0.00 C ATOM 0 H THR A 79 8.303 -2.571 14.028 1.00 0.00 H new ATOM 0 HA THR A 79 9.686 -3.654 16.413 1.00 0.00 H new ATOM 0 HB THR A 79 8.435 -5.640 16.204 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.165 -5.404 13.809 1.00 0.00 H new ATOM 0 HG21 THR A 79 6.107 -4.926 16.635 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.298 -3.929 17.502 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.513 -3.302 16.033 1.00 0.00 H new ATOM 1263 N LYS A 80 11.465 -4.393 14.861 1.00 0.00 N ATOM 1264 CA LYS A 80 12.524 -4.943 14.023 1.00 0.00 C ATOM 1265 C LYS A 80 12.338 -6.444 13.826 1.00 0.00 C ATOM 1266 O LYS A 80 11.946 -7.158 14.749 1.00 0.00 O ATOM 1267 CB LYS A 80 13.894 -4.664 14.646 1.00 0.00 C ATOM 1268 CG LYS A 80 14.110 -5.359 15.981 1.00 0.00 C ATOM 1269 CD LYS A 80 14.675 -4.408 17.023 1.00 0.00 C ATOM 1270 CE LYS A 80 14.972 -5.124 18.331 1.00 0.00 C ATOM 1271 NZ LYS A 80 13.856 -6.023 18.738 1.00 0.00 N ATOM 0 H LYS A 80 11.790 -3.983 15.737 1.00 0.00 H new ATOM 0 HA LYS A 80 12.470 -4.458 13.048 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.671 -4.982 13.951 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.009 -3.589 14.783 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.164 -5.768 16.336 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.791 -6.200 15.848 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.588 -3.951 16.642 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.965 -3.600 17.202 1.00 0.00 H new ATOM 0 HE2 LYS A 80 15.887 -5.706 18.226 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.150 -4.388 19.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.001 -6.333 19.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.954 -5.511 18.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.833 -6.853 18.112 1.00 0.00 H new ATOM 1285 N VAL A 81 12.625 -6.916 12.618 1.00 0.00 N ATOM 1286 CA VAL A 81 12.490 -8.332 12.300 1.00 0.00 C ATOM 1287 C VAL A 81 13.639 -8.805 11.413 1.00 0.00 C ATOM 1288 O VAL A 81 13.454 -9.644 10.532 1.00 0.00 O ATOM 1289 CB VAL A 81 11.148 -8.625 11.599 1.00 0.00 C ATOM 1290 CG1 VAL A 81 11.078 -7.920 10.252 1.00 0.00 C ATOM 1291 CG2 VAL A 81 10.944 -10.124 11.437 1.00 0.00 C ATOM 0 H VAL A 81 12.952 -6.339 11.843 1.00 0.00 H new ATOM 0 HA VAL A 81 12.519 -8.877 13.244 1.00 0.00 H new ATOM 0 HB VAL A 81 10.344 -8.238 12.225 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.123 -8.141 9.775 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.170 -6.844 10.399 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.891 -8.270 9.616 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.992 -10.310 10.940 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.754 -10.539 10.836 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.940 -10.599 12.418 1.00 0.00 H new ATOM 1301 N LYS A 82 14.826 -8.256 11.651 1.00 0.00 N ATOM 1302 CA LYS A 82 16.006 -8.619 10.875 1.00 0.00 C ATOM 1303 C LYS A 82 16.983 -9.430 11.719 1.00 0.00 C ATOM 1304 O LYS A 82 17.342 -9.030 12.826 1.00 0.00 O ATOM 1305 CB LYS A 82 16.698 -7.364 10.337 1.00 0.00 C ATOM 1306 CG LYS A 82 15.732 -6.294 9.847 1.00 0.00 C ATOM 1307 CD LYS A 82 14.783 -6.838 8.789 1.00 0.00 C ATOM 1308 CE LYS A 82 15.154 -6.346 7.398 1.00 0.00 C ATOM 1309 NZ LYS A 82 14.154 -5.381 6.865 1.00 0.00 N ATOM 0 H LYS A 82 14.996 -7.558 12.375 1.00 0.00 H new ATOM 0 HA LYS A 82 15.682 -9.233 10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.326 -6.942 11.121 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.359 -7.647 9.517 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.157 -5.909 10.689 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.295 -5.456 9.436 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.803 -7.928 8.807 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.763 -6.534 9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.135 -5.871 7.430 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.234 -7.197 6.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.443 -5.070 5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.223 -5.841 6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.096 -4.557 7.497 1.00 0.00 H new ATOM 1323 N VAL A 83 17.410 -10.571 11.188 1.00 0.00 N ATOM 1324 CA VAL A 83 18.346 -11.439 11.893 1.00 0.00 C ATOM 1325 C VAL A 83 17.727 -11.980 13.178 1.00 0.00 C ATOM 1326 O VAL A 83 18.156 -11.639 14.281 1.00 0.00 O ATOM 1327 CB VAL A 83 19.653 -10.696 12.233 1.00 0.00 C ATOM 1328 CG1 VAL A 83 20.672 -11.654 12.833 1.00 0.00 C ATOM 1329 CG2 VAL A 83 20.218 -10.013 10.996 1.00 0.00 C ATOM 0 H VAL A 83 17.123 -10.916 10.272 1.00 0.00 H new ATOM 0 HA VAL A 83 18.576 -12.270 11.226 1.00 0.00 H new ATOM 0 HB VAL A 83 19.429 -9.928 12.974 1.00 0.00 H new ATOM 0 HG11 VAL A 83 21.588 -11.111 13.067 1.00 0.00 H new ATOM 0 HG12 VAL A 83 20.267 -12.092 13.745 1.00 0.00 H new ATOM 0 HG13 VAL A 83 20.892 -12.446 12.117 1.00 0.00 H new ATOM 0 HG21 VAL A 83 21.140 -9.494 11.256 1.00 0.00 H new ATOM 0 HG22 VAL A 83 20.426 -10.761 10.231 1.00 0.00 H new ATOM 0 HG23 VAL A 83 19.493 -9.295 10.614 1.00 0.00 H new ATOM 1339 N GLY A 84 16.714 -12.828 13.029 1.00 0.00 N ATOM 1340 CA GLY A 84 16.050 -13.404 14.183 1.00 0.00 C ATOM 1341 C GLY A 84 16.845 -14.538 14.803 1.00 0.00 C ATOM 1342 O GLY A 84 17.985 -14.347 15.226 1.00 0.00 O ATOM 0 H GLY A 84 16.341 -13.127 12.128 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.887 -12.627 14.930 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.068 -13.772 13.887 1.00 0.00 H new ATOM 1346 N LYS A 85 16.239 -15.719 14.858 1.00 0.00 N ATOM 1347 CA LYS A 85 16.896 -16.888 15.433 1.00 0.00 C ATOM 1348 C LYS A 85 17.657 -17.666 14.362 1.00 0.00 C ATOM 1349 O LYS A 85 18.881 -17.575 14.267 1.00 0.00 O ATOM 1350 CB LYS A 85 15.865 -17.796 16.110 1.00 0.00 C ATOM 1351 CG LYS A 85 16.111 -17.988 17.599 1.00 0.00 C ATOM 1352 CD LYS A 85 16.172 -19.462 17.972 1.00 0.00 C ATOM 1353 CE LYS A 85 15.349 -19.761 19.215 1.00 0.00 C ATOM 1354 NZ LYS A 85 14.580 -21.029 19.081 1.00 0.00 N ATOM 0 H LYS A 85 15.295 -15.892 14.512 1.00 0.00 H new ATOM 0 HA LYS A 85 17.611 -16.544 16.180 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.870 -17.374 15.965 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.873 -18.770 15.620 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.046 -17.502 17.879 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.317 -17.502 18.165 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.806 -20.064 17.140 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.209 -19.752 18.143 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.009 -19.827 20.080 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.660 -18.937 19.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.032 -21.196 19.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.932 -20.958 18.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.238 -21.820 18.929 1.00 0.00 H new ATOM 1368 N GLU A 86 16.924 -18.429 13.557 1.00 0.00 N ATOM 1369 CA GLU A 86 17.529 -19.223 12.494 1.00 0.00 C ATOM 1370 C GLU A 86 16.598 -19.321 11.290 1.00 0.00 C ATOM 1371 O GLU A 86 15.440 -18.911 11.353 1.00 0.00 O ATOM 1372 CB GLU A 86 17.870 -20.624 13.004 1.00 0.00 C ATOM 1373 CG GLU A 86 18.605 -20.629 14.335 1.00 0.00 C ATOM 1374 CD GLU A 86 20.011 -20.072 14.226 1.00 0.00 C ATOM 1375 OE1 GLU A 86 20.648 -20.268 13.170 1.00 0.00 O ATOM 1376 OE2 GLU A 86 20.476 -19.441 15.198 1.00 0.00 O ATOM 0 H GLU A 86 15.910 -18.514 13.621 1.00 0.00 H new ATOM 0 HA GLU A 86 18.447 -18.725 12.182 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.949 -21.198 13.106 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.482 -21.133 12.259 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.041 -20.042 15.060 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.651 -21.649 14.717 1.00 0.00 H new ATOM 1383 N ASP A 87 17.113 -19.872 10.194 1.00 0.00 N ATOM 1384 CA ASP A 87 16.328 -20.028 8.976 1.00 0.00 C ATOM 1385 C ASP A 87 15.835 -18.677 8.467 1.00 0.00 C ATOM 1386 O ASP A 87 15.808 -17.695 9.209 1.00 0.00 O ATOM 1387 CB ASP A 87 15.137 -20.955 9.227 1.00 0.00 C ATOM 1388 CG ASP A 87 14.731 -21.723 7.985 1.00 0.00 C ATOM 1389 OD1 ASP A 87 15.568 -21.857 7.068 1.00 0.00 O ATOM 1390 OD2 ASP A 87 13.574 -22.194 7.929 1.00 0.00 O ATOM 0 H ASP A 87 18.070 -20.217 10.126 1.00 0.00 H new ATOM 0 HA ASP A 87 16.971 -20.470 8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.389 -21.659 10.020 1.00 0.00 H new ATOM 0 HB3 ASP A 87 14.290 -20.367 9.580 1.00 0.00 H new ATOM 1395 N SER A 88 15.445 -18.634 7.197 1.00 0.00 N ATOM 1396 CA SER A 88 14.953 -17.404 6.589 1.00 0.00 C ATOM 1397 C SER A 88 13.429 -17.402 6.529 1.00 0.00 C ATOM 1398 O SER A 88 12.835 -17.858 5.552 1.00 0.00 O ATOM 1399 CB SER A 88 15.531 -17.239 5.182 1.00 0.00 C ATOM 1400 OG SER A 88 15.761 -18.498 4.574 1.00 0.00 O ATOM 0 H SER A 88 15.460 -19.438 6.569 1.00 0.00 H new ATOM 0 HA SER A 88 15.277 -16.566 7.207 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.844 -16.656 4.569 1.00 0.00 H new ATOM 0 HB3 SER A 88 16.465 -16.680 5.233 1.00 0.00 H new ATOM 0 HG SER A 88 16.129 -18.365 3.675 1.00 0.00 H new ATOM 1406 N SER A 89 12.802 -16.887 7.581 1.00 0.00 N ATOM 1407 CA SER A 89 11.346 -16.826 7.651 1.00 0.00 C ATOM 1408 C SER A 89 10.777 -16.014 6.491 1.00 0.00 C ATOM 1409 O SER A 89 10.838 -14.785 6.490 1.00 0.00 O ATOM 1410 CB SER A 89 10.905 -16.214 8.981 1.00 0.00 C ATOM 1411 OG SER A 89 11.049 -14.805 8.968 1.00 0.00 O ATOM 0 H SER A 89 13.279 -16.505 8.398 1.00 0.00 H new ATOM 0 HA SER A 89 10.961 -17.843 7.581 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.865 -16.474 9.177 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.498 -16.636 9.793 1.00 0.00 H new ATOM 0 HG SER A 89 10.655 -14.428 9.783 1.00 0.00 H new ATOM 1417 N SER A 90 10.223 -16.711 5.503 1.00 0.00 N ATOM 1418 CA SER A 90 9.641 -16.056 4.337 1.00 0.00 C ATOM 1419 C SER A 90 8.121 -16.167 4.356 1.00 0.00 C ATOM 1420 O SER A 90 7.417 -15.277 3.878 1.00 0.00 O ATOM 1421 CB SER A 90 10.193 -16.673 3.052 1.00 0.00 C ATOM 1422 OG SER A 90 11.609 -16.602 3.018 1.00 0.00 O ATOM 0 H SER A 90 10.165 -17.729 5.487 1.00 0.00 H new ATOM 0 HA SER A 90 9.911 -15.001 4.370 1.00 0.00 H new ATOM 0 HB2 SER A 90 9.876 -17.713 2.979 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.779 -16.153 2.188 1.00 0.00 H new ATOM 0 HG SER A 90 11.980 -17.102 3.775 1.00 0.00 H new ATOM 1428 N ALA A 91 7.620 -17.265 4.914 1.00 0.00 N ATOM 1429 CA ALA A 91 6.182 -17.492 4.997 1.00 0.00 C ATOM 1430 C ALA A 91 5.496 -16.380 5.782 1.00 0.00 C ATOM 1431 O ALA A 91 4.463 -15.856 5.363 1.00 0.00 O ATOM 1432 CB ALA A 91 5.899 -18.842 5.640 1.00 0.00 C ATOM 0 H ALA A 91 8.189 -18.011 5.315 1.00 0.00 H new ATOM 0 HA ALA A 91 5.779 -17.490 3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.822 -19.000 5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.351 -19.632 5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.322 -18.862 6.645 1.00 0.00 H new ATOM 1438 N GLU A 92 6.077 -16.025 6.922 1.00 0.00 N ATOM 1439 CA GLU A 92 5.523 -14.976 7.768 1.00 0.00 C ATOM 1440 C GLU A 92 5.657 -13.609 7.102 1.00 0.00 C ATOM 1441 O GLU A 92 4.856 -12.707 7.349 1.00 0.00 O ATOM 1442 CB GLU A 92 6.224 -14.967 9.128 1.00 0.00 C ATOM 1443 CG GLU A 92 7.690 -14.573 9.057 1.00 0.00 C ATOM 1444 CD GLU A 92 8.263 -14.208 10.412 1.00 0.00 C ATOM 1445 OE1 GLU A 92 7.658 -13.361 11.104 1.00 0.00 O ATOM 1446 OE2 GLU A 92 9.315 -14.769 10.783 1.00 0.00 O ATOM 0 H GLU A 92 6.932 -16.449 7.282 1.00 0.00 H new ATOM 0 HA GLU A 92 4.463 -15.184 7.915 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.703 -14.276 9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.145 -15.958 9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 92 8.264 -15.398 8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.802 -13.727 8.379 1.00 0.00 H new ATOM 1453 N PHE A 93 6.674 -13.462 6.258 1.00 0.00 N ATOM 1454 CA PHE A 93 6.910 -12.205 5.557 1.00 0.00 C ATOM 1455 C PHE A 93 5.687 -11.798 4.743 1.00 0.00 C ATOM 1456 O PHE A 93 5.357 -10.615 4.648 1.00 0.00 O ATOM 1457 CB PHE A 93 8.129 -12.327 4.641 1.00 0.00 C ATOM 1458 CG PHE A 93 8.572 -11.017 4.053 1.00 0.00 C ATOM 1459 CD1 PHE A 93 9.182 -10.058 4.845 1.00 0.00 C ATOM 1460 CD2 PHE A 93 8.377 -10.746 2.708 1.00 0.00 C ATOM 1461 CE1 PHE A 93 9.590 -8.853 4.307 1.00 0.00 C ATOM 1462 CE2 PHE A 93 8.783 -9.542 2.164 1.00 0.00 C ATOM 1463 CZ PHE A 93 9.390 -8.594 2.965 1.00 0.00 C ATOM 0 H PHE A 93 7.347 -14.198 6.043 1.00 0.00 H new ATOM 0 HA PHE A 93 7.101 -11.433 6.303 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.955 -12.761 5.205 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.897 -13.019 3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 93 9.340 -10.255 5.895 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.903 -11.484 2.078 1.00 0.00 H new ATOM 0 HE1 PHE A 93 10.065 -8.114 4.935 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.626 -9.343 1.114 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.708 -7.652 2.543 1.00 0.00 H new ATOM 1473 N LEU A 94 5.016 -12.784 4.157 1.00 0.00 N ATOM 1474 CA LEU A 94 3.828 -12.527 3.352 1.00 0.00 C ATOM 1475 C LEU A 94 2.732 -11.888 4.199 1.00 0.00 C ATOM 1476 O LEU A 94 2.000 -11.017 3.729 1.00 0.00 O ATOM 1477 CB LEU A 94 3.320 -13.828 2.724 1.00 0.00 C ATOM 1478 CG LEU A 94 3.329 -13.854 1.194 1.00 0.00 C ATOM 1479 CD1 LEU A 94 2.294 -12.888 0.638 1.00 0.00 C ATOM 1480 CD2 LEU A 94 4.714 -13.518 0.664 1.00 0.00 C ATOM 0 H LEU A 94 5.275 -13.768 4.225 1.00 0.00 H new ATOM 0 HA LEU A 94 4.097 -11.833 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.931 -14.653 3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.302 -14.007 3.070 1.00 0.00 H new ATOM 0 HG LEU A 94 3.070 -14.860 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.315 -12.920 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.303 -13.174 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.522 -11.877 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.702 -13.541 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.002 -12.523 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.433 -14.249 1.035 1.00 0.00 H new ATOM 1492 N GLU A 95 2.628 -12.325 5.450 1.00 0.00 N ATOM 1493 CA GLU A 95 1.623 -11.793 6.363 1.00 0.00 C ATOM 1494 C GLU A 95 1.953 -10.354 6.747 1.00 0.00 C ATOM 1495 O GLU A 95 1.082 -9.486 6.746 1.00 0.00 O ATOM 1496 CB GLU A 95 1.532 -12.663 7.619 1.00 0.00 C ATOM 1497 CG GLU A 95 0.481 -13.757 7.524 1.00 0.00 C ATOM 1498 CD GLU A 95 0.963 -14.960 6.737 1.00 0.00 C ATOM 1499 OE1 GLU A 95 2.192 -15.167 6.662 1.00 0.00 O ATOM 1500 OE2 GLU A 95 0.110 -15.694 6.194 1.00 0.00 O ATOM 0 H GLU A 95 3.227 -13.045 5.854 1.00 0.00 H new ATOM 0 HA GLU A 95 0.659 -11.805 5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 95 2.504 -13.119 7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.307 -12.028 8.476 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.199 -14.073 8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.416 -13.355 7.053 1.00 0.00 H new ATOM 1507 N LYS A 96 3.218 -10.110 7.074 1.00 0.00 N ATOM 1508 CA LYS A 96 3.664 -8.777 7.457 1.00 0.00 C ATOM 1509 C LYS A 96 3.470 -7.792 6.308 1.00 0.00 C ATOM 1510 O LYS A 96 3.228 -6.606 6.529 1.00 0.00 O ATOM 1511 CB LYS A 96 5.136 -8.810 7.875 1.00 0.00 C ATOM 1512 CG LYS A 96 5.676 -7.455 8.305 1.00 0.00 C ATOM 1513 CD LYS A 96 6.432 -7.545 9.621 1.00 0.00 C ATOM 1514 CE LYS A 96 7.610 -8.501 9.524 1.00 0.00 C ATOM 1515 NZ LYS A 96 8.402 -8.282 8.282 1.00 0.00 N ATOM 0 H LYS A 96 3.952 -10.819 7.081 1.00 0.00 H new ATOM 0 HA LYS A 96 3.062 -8.446 8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.256 -9.517 8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.733 -9.183 7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.337 -7.064 7.531 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.851 -6.750 8.406 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.788 -6.555 9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.756 -7.878 10.408 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.255 -8.372 10.393 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.247 -9.528 9.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.234 -8.906 8.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.813 -8.496 7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.714 -7.291 8.239 1.00 0.00 H new ATOM 1529 N ARG A 97 3.574 -8.294 5.082 1.00 0.00 N ATOM 1530 CA ARG A 97 3.408 -7.462 3.896 1.00 0.00 C ATOM 1531 C ARG A 97 1.990 -6.904 3.821 1.00 0.00 C ATOM 1532 O ARG A 97 1.773 -5.802 3.318 1.00 0.00 O ATOM 1533 CB ARG A 97 3.722 -8.266 2.634 1.00 0.00 C ATOM 1534 CG ARG A 97 5.162 -8.124 2.165 1.00 0.00 C ATOM 1535 CD ARG A 97 5.523 -6.671 1.897 1.00 0.00 C ATOM 1536 NE ARG A 97 6.680 -6.242 2.679 1.00 0.00 N ATOM 1537 CZ ARG A 97 6.989 -4.968 2.910 1.00 0.00 C ATOM 1538 NH1 ARG A 97 6.231 -3.995 2.418 1.00 0.00 N ATOM 1539 NH2 ARG A 97 8.058 -4.665 3.633 1.00 0.00 N ATOM 0 H ARG A 97 3.773 -9.275 4.884 1.00 0.00 H new ATOM 0 HA ARG A 97 4.105 -6.627 3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.512 -9.319 2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.055 -7.946 1.834 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.833 -8.533 2.920 1.00 0.00 H new ATOM 0 HG3 ARG A 97 5.309 -8.709 1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.734 -6.539 0.836 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.670 -6.036 2.134 1.00 0.00 H new ATOM 0 HE ARG A 97 7.287 -6.962 3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.408 -4.222 1.860 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.472 -3.020 2.598 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.644 -5.408 4.013 1.00 0.00 H new ATOM 0 HH22 ARG A 97 8.294 -3.689 3.810 1.00 0.00 H new ATOM 1553 N ARG A 98 1.029 -7.671 4.327 1.00 0.00 N ATOM 1554 CA ARG A 98 -0.368 -7.254 4.320 1.00 0.00 C ATOM 1555 C ARG A 98 -0.559 -6.039 5.218 1.00 0.00 C ATOM 1556 O ARG A 98 -1.096 -5.014 4.799 1.00 0.00 O ATOM 1557 CB ARG A 98 -1.262 -8.399 4.799 1.00 0.00 C ATOM 1558 CG ARG A 98 -1.796 -9.269 3.673 1.00 0.00 C ATOM 1559 CD ARG A 98 -3.249 -9.652 3.902 1.00 0.00 C ATOM 1560 NE ARG A 98 -3.416 -11.095 4.067 1.00 0.00 N ATOM 1561 CZ ARG A 98 -3.180 -11.742 5.206 1.00 0.00 C ATOM 1562 NH1 ARG A 98 -2.768 -11.081 6.281 1.00 0.00 N ATOM 1563 NH2 ARG A 98 -3.355 -13.055 5.270 1.00 0.00 N ATOM 0 H ARG A 98 1.193 -8.586 4.747 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.647 -6.988 3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.698 -9.023 5.492 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -2.102 -7.984 5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.704 -8.736 2.726 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -1.190 -10.171 3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -3.623 -9.140 4.789 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.851 -9.311 3.059 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.732 -11.637 3.263 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.631 -10.071 6.237 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.589 -11.583 7.151 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.670 -13.568 4.447 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.174 -13.552 6.142 1.00 0.00 H new ATOM 1577 N ALA A 99 -0.107 -6.171 6.455 1.00 0.00 N ATOM 1578 CA ALA A 99 -0.208 -5.097 7.433 1.00 0.00 C ATOM 1579 C ALA A 99 0.549 -3.860 6.959 1.00 0.00 C ATOM 1580 O ALA A 99 -0.022 -2.776 6.846 1.00 0.00 O ATOM 1581 CB ALA A 99 0.330 -5.570 8.774 1.00 0.00 C ATOM 0 H ALA A 99 0.337 -7.018 6.809 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.257 -4.825 7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.252 -4.763 9.502 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.251 -6.426 9.118 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.375 -5.861 8.665 1.00 0.00 H new ATOM 1587 N ALA A 100 1.836 -4.037 6.670 1.00 0.00 N ATOM 1588 CA ALA A 100 2.674 -2.942 6.192 1.00 0.00 C ATOM 1589 C ALA A 100 2.081 -2.316 4.937 1.00 0.00 C ATOM 1590 O ALA A 100 2.259 -1.126 4.679 1.00 0.00 O ATOM 1591 CB ALA A 100 4.091 -3.420 5.924 1.00 0.00 C ATOM 0 H ALA A 100 2.321 -4.930 6.759 1.00 0.00 H new ATOM 0 HA ALA A 100 2.710 -2.183 6.973 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.695 -2.585 5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.522 -3.815 6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.074 -4.204 5.166 1.00 0.00 H new ATOM 1597 N LEU A 101 1.381 -3.132 4.154 1.00 0.00 N ATOM 1598 CA LEU A 101 0.768 -2.661 2.920 1.00 0.00 C ATOM 1599 C LEU A 101 -0.211 -1.530 3.220 1.00 0.00 C ATOM 1600 O LEU A 101 -0.247 -0.526 2.510 1.00 0.00 O ATOM 1601 CB LEU A 101 0.038 -3.818 2.216 1.00 0.00 C ATOM 1602 CG LEU A 101 0.699 -4.376 0.943 1.00 0.00 C ATOM 1603 CD1 LEU A 101 -0.017 -3.862 -0.300 1.00 0.00 C ATOM 1604 CD2 LEU A 101 2.184 -4.037 0.886 1.00 0.00 C ATOM 0 H LEU A 101 1.225 -4.120 4.353 1.00 0.00 H new ATOM 0 HA LEU A 101 1.550 -2.285 2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.073 -4.635 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.966 -3.481 1.959 1.00 0.00 H new ATOM 0 HG LEU A 101 0.611 -5.462 0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.464 -4.267 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.060 -4.178 -0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 101 0.032 -2.773 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.616 -4.447 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.311 -2.954 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.689 -4.466 1.751 1.00 0.00 H new ATOM 1616 N GLU A 102 -0.994 -1.693 4.281 1.00 0.00 N ATOM 1617 CA GLU A 102 -1.957 -0.672 4.672 1.00 0.00 C ATOM 1618 C GLU A 102 -1.256 0.536 5.279 1.00 0.00 C ATOM 1619 O GLU A 102 -1.630 1.677 5.015 1.00 0.00 O ATOM 1620 CB GLU A 102 -2.973 -1.225 5.671 1.00 0.00 C ATOM 1621 CG GLU A 102 -4.023 -0.203 6.072 1.00 0.00 C ATOM 1622 CD GLU A 102 -4.849 -0.653 7.261 1.00 0.00 C ATOM 1623 OE1 GLU A 102 -4.916 -1.874 7.509 1.00 0.00 O ATOM 1624 OE2 GLU A 102 -5.429 0.218 7.945 1.00 0.00 O ATOM 0 H GLU A 102 -0.981 -2.517 4.882 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.483 -0.362 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.466 -2.094 5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.449 -1.569 6.563 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.533 0.741 6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.683 -0.015 5.226 1.00 0.00 H new ATOM 1631 N ARG A 103 -0.243 0.281 6.104 1.00 0.00 N ATOM 1632 CA ARG A 103 0.494 1.360 6.748 1.00 0.00 C ATOM 1633 C ARG A 103 1.080 2.297 5.704 1.00 0.00 C ATOM 1634 O ARG A 103 0.933 3.516 5.797 1.00 0.00 O ATOM 1635 CB ARG A 103 1.613 0.794 7.625 1.00 0.00 C ATOM 1636 CG ARG A 103 1.137 -0.241 8.630 1.00 0.00 C ATOM 1637 CD ARG A 103 0.048 0.317 9.533 1.00 0.00 C ATOM 1638 NE ARG A 103 0.493 1.503 10.260 1.00 0.00 N ATOM 1639 CZ ARG A 103 -0.333 2.382 10.825 1.00 0.00 C ATOM 1640 NH1 ARG A 103 -1.648 2.210 10.749 1.00 0.00 N ATOM 1641 NH2 ARG A 103 0.155 3.433 11.469 1.00 0.00 N ATOM 0 H ARG A 103 0.083 -0.656 6.340 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.198 1.920 7.377 1.00 0.00 H new ATOM 0 HB2 ARG A 103 2.372 0.344 6.985 1.00 0.00 H new ATOM 0 HB3 ARG A 103 2.093 1.613 8.160 1.00 0.00 H new ATOM 0 HG2 ARG A 103 0.759 -1.116 8.101 1.00 0.00 H new ATOM 0 HG3 ARG A 103 1.979 -0.574 9.237 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -0.827 0.567 8.933 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -0.261 -0.449 10.244 1.00 0.00 H new ATOM 0 HE ARG A 103 1.496 1.668 10.340 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -2.029 1.402 10.256 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.277 2.886 11.183 1.00 0.00 H new ATOM 0 HH21 ARG A 103 1.164 3.569 11.532 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -0.478 4.106 11.901 1.00 0.00 H new ATOM 1655 N TYR A 104 1.728 1.721 4.699 1.00 0.00 N ATOM 1656 CA TYR A 104 2.313 2.512 3.628 1.00 0.00 C ATOM 1657 C TYR A 104 1.218 3.104 2.743 1.00 0.00 C ATOM 1658 O TYR A 104 1.393 4.174 2.164 1.00 0.00 O ATOM 1659 CB TYR A 104 3.295 1.666 2.803 1.00 0.00 C ATOM 1660 CG TYR A 104 2.782 1.255 1.438 1.00 0.00 C ATOM 1661 CD1 TYR A 104 2.755 2.157 0.381 1.00 0.00 C ATOM 1662 CD2 TYR A 104 2.328 -0.034 1.211 1.00 0.00 C ATOM 1663 CE1 TYR A 104 2.288 1.782 -0.864 1.00 0.00 C ATOM 1664 CE2 TYR A 104 1.858 -0.418 -0.031 1.00 0.00 C ATOM 1665 CZ TYR A 104 1.840 0.493 -1.065 1.00 0.00 C ATOM 1666 OH TYR A 104 1.375 0.115 -2.302 1.00 0.00 O ATOM 0 H TYR A 104 1.860 0.714 4.605 1.00 0.00 H new ATOM 0 HA TYR A 104 2.873 3.336 4.071 1.00 0.00 H new ATOM 0 HB2 TYR A 104 4.220 2.229 2.675 1.00 0.00 H new ATOM 0 HB3 TYR A 104 3.544 0.768 3.368 1.00 0.00 H new ATOM 0 HD1 TYR A 104 3.105 3.167 0.535 1.00 0.00 H new ATOM 0 HD2 TYR A 104 2.341 -0.751 2.018 1.00 0.00 H new ATOM 0 HE1 TYR A 104 2.274 2.494 -1.676 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.507 -1.427 -0.190 1.00 0.00 H new ATOM 0 HH TYR A 104 0.897 -0.737 -2.225 1.00 0.00 H new ATOM 1676 N LEU A 105 0.095 2.394 2.628 1.00 0.00 N ATOM 1677 CA LEU A 105 -1.013 2.851 1.796 1.00 0.00 C ATOM 1678 C LEU A 105 -1.805 3.978 2.461 1.00 0.00 C ATOM 1679 O LEU A 105 -2.252 4.909 1.794 1.00 0.00 O ATOM 1680 CB LEU A 105 -1.947 1.681 1.481 1.00 0.00 C ATOM 1681 CG LEU A 105 -2.995 1.907 0.375 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -4.395 2.005 0.979 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -2.689 3.133 -0.488 1.00 0.00 C ATOM 0 H LEU A 105 -0.069 1.504 3.099 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.587 3.245 0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.335 0.824 1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.473 1.410 2.397 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.952 1.042 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.124 2.165 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.629 1.080 1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.432 2.840 1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.460 3.243 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.669 4.024 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.719 3.007 -0.969 1.00 0.00 H new ATOM 1695 N GLN A 106 -1.997 3.886 3.770 1.00 0.00 N ATOM 1696 CA GLN A 106 -2.767 4.891 4.497 1.00 0.00 C ATOM 1697 C GLN A 106 -2.246 6.306 4.265 1.00 0.00 C ATOM 1698 O GLN A 106 -2.990 7.274 4.414 1.00 0.00 O ATOM 1699 CB GLN A 106 -2.758 4.598 5.992 1.00 0.00 C ATOM 1700 CG GLN A 106 -3.541 3.351 6.373 1.00 0.00 C ATOM 1701 CD GLN A 106 -4.881 3.672 7.004 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -5.278 3.056 7.993 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -5.588 4.640 6.433 1.00 0.00 N ATOM 0 H GLN A 106 -1.633 3.130 4.350 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.785 4.837 4.111 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -1.726 4.485 6.325 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.173 5.454 6.524 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.700 2.741 5.484 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.950 2.754 7.068 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.221 5.125 5.614 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.498 4.899 6.813 1.00 0.00 H new ATOM 1712 N ARG A 107 -0.970 6.433 3.919 1.00 0.00 N ATOM 1713 CA ARG A 107 -0.386 7.751 3.700 1.00 0.00 C ATOM 1714 C ARG A 107 -0.903 8.399 2.415 1.00 0.00 C ATOM 1715 O ARG A 107 -1.342 9.549 2.429 1.00 0.00 O ATOM 1716 CB ARG A 107 1.144 7.661 3.675 1.00 0.00 C ATOM 1717 CG ARG A 107 1.723 7.224 2.336 1.00 0.00 C ATOM 1718 CD ARG A 107 3.233 7.064 2.402 1.00 0.00 C ATOM 1719 NE ARG A 107 3.911 8.325 2.691 1.00 0.00 N ATOM 1720 CZ ARG A 107 3.992 9.340 1.831 1.00 0.00 C ATOM 1721 NH1 ARG A 107 3.420 9.254 0.637 1.00 0.00 N ATOM 1722 NH2 ARG A 107 4.638 10.446 2.171 1.00 0.00 N ATOM 0 H ARG A 107 -0.328 5.652 3.786 1.00 0.00 H new ATOM 0 HA ARG A 107 -0.692 8.386 4.532 1.00 0.00 H new ATOM 0 HB2 ARG A 107 1.558 8.635 3.937 1.00 0.00 H new ATOM 0 HB3 ARG A 107 1.468 6.960 4.444 1.00 0.00 H new ATOM 0 HG2 ARG A 107 1.270 6.280 2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 107 1.468 7.958 1.572 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.486 6.334 3.171 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.596 6.668 1.454 1.00 0.00 H new ATOM 0 HE ARG A 107 4.349 8.435 3.606 1.00 0.00 H new ATOM 0 HH11 ARG A 107 2.915 8.408 0.373 1.00 0.00 H new ATOM 0 HH12 ARG A 107 3.485 10.034 -0.017 1.00 0.00 H new ATOM 0 HH21 ARG A 107 5.073 10.520 3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 107 4.700 11.223 1.513 1.00 0.00 H new ATOM 1736 N ILE A 108 -0.857 7.666 1.306 1.00 0.00 N ATOM 1737 CA ILE A 108 -1.326 8.204 0.030 1.00 0.00 C ATOM 1738 C ILE A 108 -2.836 8.384 0.044 1.00 0.00 C ATOM 1739 O ILE A 108 -3.346 9.425 -0.369 1.00 0.00 O ATOM 1740 CB ILE A 108 -0.918 7.333 -1.181 1.00 0.00 C ATOM 1741 CG1 ILE A 108 -1.068 5.845 -0.870 1.00 0.00 C ATOM 1742 CG2 ILE A 108 0.505 7.660 -1.611 1.00 0.00 C ATOM 1743 CD1 ILE A 108 0.114 5.241 -0.146 1.00 0.00 C ATOM 0 H ILE A 108 -0.505 6.710 1.263 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.840 9.172 -0.088 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.590 7.563 -2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.963 5.700 -0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.223 5.304 -1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.779 7.040 -2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.568 8.711 -1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.189 7.464 -0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.073 4.183 0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.010 5.351 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.259 5.753 0.805 1.00 0.00 H new ATOM 1755 N VAL A 109 -3.551 7.384 0.544 1.00 0.00 N ATOM 1756 CA VAL A 109 -5.001 7.475 0.626 1.00 0.00 C ATOM 1757 C VAL A 109 -5.388 8.638 1.527 1.00 0.00 C ATOM 1758 O VAL A 109 -6.375 9.330 1.279 1.00 0.00 O ATOM 1759 CB VAL A 109 -5.645 6.180 1.163 1.00 0.00 C ATOM 1760 CG1 VAL A 109 -5.862 5.181 0.037 1.00 0.00 C ATOM 1761 CG2 VAL A 109 -4.807 5.569 2.274 1.00 0.00 C ATOM 0 H VAL A 109 -3.156 6.511 0.895 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.373 7.632 -0.386 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.617 6.438 1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.317 4.275 0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.521 5.617 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -4.904 4.934 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.286 4.658 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.814 5.331 1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.719 6.280 3.096 1.00 0.00 H new ATOM 1771 N ASN A 110 -4.591 8.853 2.573 1.00 0.00 N ATOM 1772 CA ASN A 110 -4.834 9.941 3.512 1.00 0.00 C ATOM 1773 C ASN A 110 -5.093 11.258 2.776 1.00 0.00 C ATOM 1774 O ASN A 110 -6.244 11.653 2.587 1.00 0.00 O ATOM 1775 CB ASN A 110 -3.646 10.094 4.469 1.00 0.00 C ATOM 1776 CG ASN A 110 -4.000 9.699 5.890 1.00 0.00 C ATOM 1777 OD1 ASN A 110 -4.964 10.204 6.463 1.00 0.00 O ATOM 1778 ND2 ASN A 110 -3.221 8.790 6.466 1.00 0.00 N ATOM 0 H ASN A 110 -3.771 8.286 2.789 1.00 0.00 H new ATOM 0 HA ASN A 110 -5.725 9.695 4.090 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -2.818 9.478 4.118 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -3.302 11.128 4.456 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.413 8.485 7.420 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -2.431 8.397 5.954 1.00 0.00 H new ATOM 1785 N HIS A 111 -4.022 11.935 2.362 1.00 0.00 N ATOM 1786 CA HIS A 111 -4.150 13.204 1.651 1.00 0.00 C ATOM 1787 C HIS A 111 -3.911 13.023 0.154 1.00 0.00 C ATOM 1788 O HIS A 111 -2.953 12.365 -0.248 1.00 0.00 O ATOM 1789 CB HIS A 111 -3.174 14.235 2.220 1.00 0.00 C ATOM 1790 CG HIS A 111 -3.843 15.321 3.005 1.00 0.00 C ATOM 1791 ND1 HIS A 111 -5.126 15.755 3.002 1.00 0.00 N flip ATOM 1792 CD2 HIS A 111 -3.178 16.104 3.924 1.00 0.00 C flip ATOM 1793 CE1 HIS A 111 -5.210 16.782 3.910 1.00 0.00 C flip ATOM 1794 NE2 HIS A 111 -4.023 16.972 4.453 1.00 0.00 N flip ATOM 0 H HIS A 111 -3.061 11.626 2.507 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.169 13.566 1.791 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -2.453 13.726 2.860 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.612 14.683 1.400 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -2.130 16.021 4.173 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -6.103 17.343 4.142 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.796 17.670 5.161 1.00 0.00 H new ATOM 1803 N PRO A 112 -4.770 13.615 -0.698 1.00 0.00 N ATOM 1804 CA PRO A 112 -4.628 13.516 -2.153 1.00 0.00 C ATOM 1805 C PRO A 112 -3.441 14.324 -2.675 1.00 0.00 C ATOM 1806 O PRO A 112 -2.724 13.885 -3.574 1.00 0.00 O ATOM 1807 CB PRO A 112 -5.941 14.099 -2.678 1.00 0.00 C ATOM 1808 CG PRO A 112 -6.389 15.037 -1.612 1.00 0.00 C ATOM 1809 CD PRO A 112 -5.936 14.433 -0.310 1.00 0.00 C ATOM 0 HA PRO A 112 -4.441 12.492 -2.476 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -5.794 14.617 -3.626 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -6.680 13.317 -2.854 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -5.954 16.026 -1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -7.472 15.159 -1.630 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -5.665 15.200 0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -6.719 13.826 0.145 1.00 0.00 H new ATOM 1817 N THR A 113 -3.246 15.507 -2.101 1.00 0.00 N ATOM 1818 CA THR A 113 -2.152 16.387 -2.501 1.00 0.00 C ATOM 1819 C THR A 113 -0.823 15.929 -1.904 1.00 0.00 C ATOM 1820 O THR A 113 0.245 16.252 -2.426 1.00 0.00 O ATOM 1821 CB THR A 113 -2.444 17.826 -2.072 1.00 0.00 C ATOM 1822 OG1 THR A 113 -3.673 18.271 -2.619 1.00 0.00 O ATOM 1823 CG2 THR A 113 -1.372 18.808 -2.494 1.00 0.00 C ATOM 0 H THR A 113 -3.833 15.880 -1.355 1.00 0.00 H new ATOM 0 HA THR A 113 -2.072 16.343 -3.587 1.00 0.00 H new ATOM 0 HB THR A 113 -2.480 17.801 -0.983 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.844 19.192 -2.333 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.643 19.809 -2.158 1.00 0.00 H new ATOM 0 HG22 THR A 113 -0.420 18.521 -2.049 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.281 18.803 -3.580 1.00 0.00 H new ATOM 1831 N MET A 114 -0.893 15.185 -0.804 1.00 0.00 N ATOM 1832 CA MET A 114 0.309 14.695 -0.134 1.00 0.00 C ATOM 1833 C MET A 114 1.212 13.942 -1.103 1.00 0.00 C ATOM 1834 O MET A 114 2.420 14.176 -1.148 1.00 0.00 O ATOM 1835 CB MET A 114 -0.070 13.777 1.033 1.00 0.00 C ATOM 1836 CG MET A 114 1.124 13.278 1.834 1.00 0.00 C ATOM 1837 SD MET A 114 1.924 11.843 1.082 1.00 0.00 S ATOM 1838 CE MET A 114 1.163 10.502 1.995 1.00 0.00 C ATOM 0 H MET A 114 -1.767 14.908 -0.358 1.00 0.00 H new ATOM 0 HA MET A 114 0.854 15.559 0.246 1.00 0.00 H new ATOM 0 HB2 MET A 114 -0.745 14.313 1.700 1.00 0.00 H new ATOM 0 HB3 MET A 114 -0.620 12.919 0.645 1.00 0.00 H new ATOM 0 HG2 MET A 114 1.852 14.084 1.932 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.797 13.019 2.841 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.869 10.115 2.729 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.273 10.869 2.506 1.00 0.00 H new ATOM 0 HE3 MET A 114 0.883 9.705 1.306 1.00 0.00 H new ATOM 1848 N LEU A 115 0.625 13.030 -1.869 1.00 0.00 N ATOM 1849 CA LEU A 115 1.391 12.241 -2.824 1.00 0.00 C ATOM 1850 C LEU A 115 1.622 13.006 -4.125 1.00 0.00 C ATOM 1851 O LEU A 115 2.753 13.103 -4.601 1.00 0.00 O ATOM 1852 CB LEU A 115 0.689 10.908 -3.102 1.00 0.00 C ATOM 1853 CG LEU A 115 -0.832 10.980 -3.279 1.00 0.00 C ATOM 1854 CD1 LEU A 115 -1.288 9.999 -4.347 1.00 0.00 C ATOM 1855 CD2 LEU A 115 -1.543 10.696 -1.963 1.00 0.00 C ATOM 0 H LEU A 115 -0.373 12.820 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 115 2.366 12.039 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 115 1.121 10.473 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.909 10.225 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.091 11.990 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.370 10.062 -4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.809 10.244 -5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.013 8.986 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -2.621 10.753 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.277 9.698 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.241 11.434 -1.220 1.00 0.00 H new ATOM 1867 N GLN A 116 0.551 13.550 -4.697 1.00 0.00 N ATOM 1868 CA GLN A 116 0.651 14.305 -5.941 1.00 0.00 C ATOM 1869 C GLN A 116 1.129 13.421 -7.092 1.00 0.00 C ATOM 1870 O GLN A 116 1.506 13.921 -8.151 1.00 0.00 O ATOM 1871 CB GLN A 116 1.602 15.493 -5.767 1.00 0.00 C ATOM 1872 CG GLN A 116 0.901 16.777 -5.358 1.00 0.00 C ATOM 1873 CD GLN A 116 1.845 17.779 -4.721 1.00 0.00 C ATOM 1874 OE1 GLN A 116 1.503 18.431 -3.733 1.00 0.00 O ATOM 1875 NE2 GLN A 116 3.041 17.907 -5.284 1.00 0.00 N ATOM 0 H GLN A 116 -0.394 13.482 -4.319 1.00 0.00 H new ATOM 0 HA GLN A 116 -0.345 14.674 -6.186 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.350 15.242 -5.015 1.00 0.00 H new ATOM 0 HB3 GLN A 116 2.135 15.662 -6.703 1.00 0.00 H new ATOM 0 HG2 GLN A 116 0.436 17.228 -6.235 1.00 0.00 H new ATOM 0 HG3 GLN A 116 0.100 16.542 -4.657 1.00 0.00 H new ATOM 0 HE21 GLN A 116 3.282 17.347 -6.101 1.00 0.00 H new ATOM 0 HE22 GLN A 116 3.718 18.565 -4.899 1.00 0.00 H new ATOM 1884 N ASP A 117 1.102 12.106 -6.886 1.00 0.00 N ATOM 1885 CA ASP A 117 1.523 11.168 -7.917 1.00 0.00 C ATOM 1886 C ASP A 117 0.321 10.718 -8.743 1.00 0.00 C ATOM 1887 O ASP A 117 -0.592 10.079 -8.220 1.00 0.00 O ATOM 1888 CB ASP A 117 2.210 9.955 -7.285 1.00 0.00 C ATOM 1889 CG ASP A 117 3.722 10.045 -7.355 1.00 0.00 C ATOM 1890 OD1 ASP A 117 4.257 10.183 -8.475 1.00 0.00 O ATOM 1891 OD2 ASP A 117 4.370 9.980 -6.290 1.00 0.00 O ATOM 0 H ASP A 117 0.794 11.670 -6.017 1.00 0.00 H new ATOM 0 HA ASP A 117 2.234 11.670 -8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 117 1.902 9.868 -6.243 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.879 9.049 -7.792 1.00 0.00 H new ATOM 1896 N PRO A 118 0.293 11.056 -10.043 1.00 0.00 N ATOM 1897 CA PRO A 118 -0.820 10.688 -10.922 1.00 0.00 C ATOM 1898 C PRO A 118 -1.160 9.203 -10.844 1.00 0.00 C ATOM 1899 O PRO A 118 -2.331 8.828 -10.837 1.00 0.00 O ATOM 1900 CB PRO A 118 -0.304 11.046 -12.317 1.00 0.00 C ATOM 1901 CG PRO A 118 0.689 12.132 -12.083 1.00 0.00 C ATOM 1902 CD PRO A 118 1.329 11.829 -10.757 1.00 0.00 C ATOM 0 HA PRO A 118 -1.741 11.202 -10.647 1.00 0.00 H new ATOM 0 HB2 PRO A 118 0.157 10.185 -12.802 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -1.114 11.382 -12.965 1.00 0.00 H new ATOM 0 HG2 PRO A 118 1.433 12.158 -12.879 1.00 0.00 H new ATOM 0 HG3 PRO A 118 0.204 13.108 -12.068 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.247 11.254 -10.877 1.00 0.00 H new ATOM 0 HD3 PRO A 118 1.591 12.741 -10.220 1.00 0.00 H new ATOM 1910 N ASP A 119 -0.133 8.360 -10.780 1.00 0.00 N ATOM 1911 CA ASP A 119 -0.340 6.921 -10.695 1.00 0.00 C ATOM 1912 C ASP A 119 -0.762 6.511 -9.297 1.00 0.00 C ATOM 1913 O ASP A 119 -1.714 5.757 -9.120 1.00 0.00 O ATOM 1914 CB ASP A 119 0.922 6.161 -11.068 1.00 0.00 C ATOM 1915 CG ASP A 119 1.674 6.795 -12.223 1.00 0.00 C ATOM 1916 OD1 ASP A 119 1.339 6.490 -13.388 1.00 0.00 O ATOM 1917 OD2 ASP A 119 2.598 7.595 -11.965 1.00 0.00 O ATOM 0 H ASP A 119 0.845 8.648 -10.785 1.00 0.00 H new ATOM 0 HA ASP A 119 -1.133 6.672 -11.400 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.578 6.108 -10.199 1.00 0.00 H new ATOM 0 HB3 ASP A 119 0.659 5.137 -11.331 1.00 0.00 H new ATOM 1922 N VAL A 120 -0.028 7.005 -8.306 1.00 0.00 N ATOM 1923 CA VAL A 120 -0.305 6.680 -6.917 1.00 0.00 C ATOM 1924 C VAL A 120 -1.711 7.096 -6.539 1.00 0.00 C ATOM 1925 O VAL A 120 -2.426 6.365 -5.854 1.00 0.00 O ATOM 1926 CB VAL A 120 0.691 7.369 -5.973 1.00 0.00 C ATOM 1927 CG1 VAL A 120 0.406 6.975 -4.530 1.00 0.00 C ATOM 1928 CG2 VAL A 120 2.118 7.026 -6.370 1.00 0.00 C ATOM 0 H VAL A 120 0.764 7.633 -8.442 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.203 5.600 -6.813 1.00 0.00 H new ATOM 0 HB VAL A 120 0.572 8.449 -6.056 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.119 7.470 -3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.606 7.278 -4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.501 5.895 -4.422 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.813 7.521 -5.692 1.00 0.00 H new ATOM 0 HG22 VAL A 120 2.262 5.947 -6.313 1.00 0.00 H new ATOM 0 HG23 VAL A 120 2.303 7.363 -7.390 1.00 0.00 H new ATOM 1938 N ARG A 121 -2.109 8.268 -7.002 1.00 0.00 N ATOM 1939 CA ARG A 121 -3.438 8.770 -6.727 1.00 0.00 C ATOM 1940 C ARG A 121 -4.489 7.759 -7.179 1.00 0.00 C ATOM 1941 O ARG A 121 -5.577 7.689 -6.608 1.00 0.00 O ATOM 1942 CB ARG A 121 -3.653 10.134 -7.399 1.00 0.00 C ATOM 1943 CG ARG A 121 -3.948 10.059 -8.891 1.00 0.00 C ATOM 1944 CD ARG A 121 -5.351 10.558 -9.209 1.00 0.00 C ATOM 1945 NE ARG A 121 -6.067 9.656 -10.109 1.00 0.00 N ATOM 1946 CZ ARG A 121 -5.995 9.716 -11.437 1.00 0.00 C ATOM 1947 NH1 ARG A 121 -5.223 10.619 -12.029 1.00 0.00 N ATOM 1948 NH2 ARG A 121 -6.690 8.863 -12.177 1.00 0.00 N ATOM 0 H ARG A 121 -1.530 8.887 -7.569 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.543 8.911 -5.651 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -4.479 10.644 -6.903 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -2.763 10.745 -7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.217 10.654 -9.438 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -3.841 9.030 -9.233 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -5.915 10.667 -8.282 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -5.289 11.547 -9.663 1.00 0.00 H new ATOM 0 HE ARG A 121 -6.658 8.936 -9.694 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.680 11.273 -11.466 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -5.173 10.659 -13.047 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -7.279 8.161 -11.729 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -6.635 8.908 -13.195 1.00 0.00 H new ATOM 1962 N GLU A 122 -4.159 6.974 -8.211 1.00 0.00 N ATOM 1963 CA GLU A 122 -5.094 5.974 -8.723 1.00 0.00 C ATOM 1964 C GLU A 122 -4.517 4.560 -8.650 1.00 0.00 C ATOM 1965 O GLU A 122 -5.086 3.625 -9.213 1.00 0.00 O ATOM 1966 CB GLU A 122 -5.482 6.300 -10.169 1.00 0.00 C ATOM 1967 CG GLU A 122 -4.365 6.948 -10.972 1.00 0.00 C ATOM 1968 CD GLU A 122 -4.503 6.705 -12.462 1.00 0.00 C ATOM 1969 OE1 GLU A 122 -4.741 5.544 -12.854 1.00 0.00 O ATOM 1970 OE2 GLU A 122 -4.373 7.675 -13.237 1.00 0.00 O ATOM 0 H GLU A 122 -3.265 7.012 -8.700 1.00 0.00 H new ATOM 0 HA GLU A 122 -5.981 6.006 -8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -5.791 5.382 -10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -6.346 6.965 -10.163 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -4.361 8.021 -10.781 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -3.405 6.560 -10.631 1.00 0.00 H new ATOM 1977 N PHE A 123 -3.389 4.398 -7.960 1.00 0.00 N ATOM 1978 CA PHE A 123 -2.763 3.087 -7.835 1.00 0.00 C ATOM 1979 C PHE A 123 -3.414 2.273 -6.722 1.00 0.00 C ATOM 1980 O PHE A 123 -3.684 1.083 -6.887 1.00 0.00 O ATOM 1981 CB PHE A 123 -1.264 3.234 -7.569 1.00 0.00 C ATOM 1982 CG PHE A 123 -0.401 2.501 -8.556 1.00 0.00 C ATOM 1983 CD1 PHE A 123 -0.595 1.152 -8.799 1.00 0.00 C ATOM 1984 CD2 PHE A 123 0.605 3.164 -9.241 1.00 0.00 C ATOM 1985 CE1 PHE A 123 0.198 0.476 -9.707 1.00 0.00 C ATOM 1986 CE2 PHE A 123 1.402 2.494 -10.150 1.00 0.00 C ATOM 1987 CZ PHE A 123 1.197 1.148 -10.383 1.00 0.00 C ATOM 0 H PHE A 123 -2.895 5.152 -7.483 1.00 0.00 H new ATOM 0 HA PHE A 123 -2.905 2.556 -8.776 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -1.003 4.292 -7.587 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -1.044 2.868 -6.566 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -1.375 0.622 -8.273 1.00 0.00 H new ATOM 0 HD2 PHE A 123 0.768 4.217 -9.062 1.00 0.00 H new ATOM 0 HE1 PHE A 123 0.036 -0.576 -9.888 1.00 0.00 H new ATOM 0 HE2 PHE A 123 2.183 3.022 -10.677 1.00 0.00 H new ATOM 0 HZ PHE A 123 1.817 0.622 -11.093 1.00 0.00 H new ATOM 1997 N LEU A 124 -3.659 2.922 -5.589 1.00 0.00 N ATOM 1998 CA LEU A 124 -4.275 2.256 -4.447 1.00 0.00 C ATOM 1999 C LEU A 124 -5.655 1.714 -4.810 1.00 0.00 C ATOM 2000 O LEU A 124 -6.106 0.715 -4.251 1.00 0.00 O ATOM 2001 CB LEU A 124 -4.380 3.221 -3.264 1.00 0.00 C ATOM 2002 CG LEU A 124 -5.451 4.307 -3.399 1.00 0.00 C ATOM 2003 CD1 LEU A 124 -6.700 3.927 -2.620 1.00 0.00 C ATOM 2004 CD2 LEU A 124 -4.913 5.649 -2.925 1.00 0.00 C ATOM 0 H LEU A 124 -3.441 3.907 -5.437 1.00 0.00 H new ATOM 0 HA LEU A 124 -3.643 1.415 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.583 2.644 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -3.413 3.703 -3.123 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.718 4.396 -4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.449 4.711 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -7.098 2.989 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.449 3.808 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -5.688 6.409 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -4.616 5.573 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -4.049 5.928 -3.528 1.00 0.00 H new ATOM 2016 N GLU A 125 -6.320 2.380 -5.750 1.00 0.00 N ATOM 2017 CA GLU A 125 -7.647 1.963 -6.186 1.00 0.00 C ATOM 2018 C GLU A 125 -7.684 1.764 -7.698 1.00 0.00 C ATOM 2019 O GLU A 125 -8.706 2.006 -8.339 1.00 0.00 O ATOM 2020 CB GLU A 125 -8.693 2.998 -5.771 1.00 0.00 C ATOM 2021 CG GLU A 125 -8.501 4.354 -6.430 1.00 0.00 C ATOM 2022 CD GLU A 125 -9.772 4.881 -7.066 1.00 0.00 C ATOM 2023 OE1 GLU A 125 -10.864 4.621 -6.515 1.00 0.00 O ATOM 2024 OE2 GLU A 125 -9.678 5.554 -8.114 1.00 0.00 O ATOM 0 H GLU A 125 -5.961 3.209 -6.223 1.00 0.00 H new ATOM 0 HA GLU A 125 -7.878 1.012 -5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -9.685 2.620 -6.019 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.661 3.121 -4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -8.149 5.068 -5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -7.724 4.277 -7.191 1.00 0.00 H new ATOM 2031 N LYS A 126 -6.564 1.324 -8.262 1.00 0.00 N ATOM 2032 CA LYS A 126 -6.474 1.095 -9.699 1.00 0.00 C ATOM 2033 C LYS A 126 -7.487 0.046 -10.144 1.00 0.00 C ATOM 2034 O LYS A 126 -7.265 -1.154 -9.985 1.00 0.00 O ATOM 2035 CB LYS A 126 -5.061 0.654 -10.082 1.00 0.00 C ATOM 2036 CG LYS A 126 -4.762 0.801 -11.566 1.00 0.00 C ATOM 2037 CD LYS A 126 -3.912 -0.348 -12.081 1.00 0.00 C ATOM 2038 CE LYS A 126 -3.167 0.034 -13.350 1.00 0.00 C ATOM 2039 NZ LYS A 126 -3.105 -1.093 -14.319 1.00 0.00 N ATOM 0 H LYS A 126 -5.708 1.119 -7.747 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.701 2.033 -10.206 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -4.339 1.241 -9.514 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -4.923 -0.388 -9.793 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -5.697 0.841 -12.124 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -4.245 1.744 -11.742 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -3.197 -0.645 -11.314 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -4.547 -1.212 -12.277 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -3.659 0.887 -13.817 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -2.155 0.350 -13.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -2.160 -1.127 -14.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -3.291 -1.988 -13.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -3.821 -0.953 -15.060 1.00 0.00 H new ATOM 2053 N GLU A 127 -8.601 0.508 -10.702 1.00 0.00 N ATOM 2054 CA GLU A 127 -9.652 -0.388 -11.170 1.00 0.00 C ATOM 2055 C GLU A 127 -9.439 -0.765 -12.632 1.00 0.00 C ATOM 2056 O GLU A 127 -9.825 -1.851 -13.064 1.00 0.00 O ATOM 2057 CB GLU A 127 -11.023 0.269 -10.995 1.00 0.00 C ATOM 2058 CG GLU A 127 -11.539 0.229 -9.566 1.00 0.00 C ATOM 2059 CD GLU A 127 -12.445 1.400 -9.240 1.00 0.00 C ATOM 2060 OE1 GLU A 127 -13.137 1.889 -10.157 1.00 0.00 O ATOM 2061 OE2 GLU A 127 -12.461 1.828 -8.066 1.00 0.00 O ATOM 0 H GLU A 127 -8.799 1.499 -10.841 1.00 0.00 H new ATOM 0 HA GLU A 127 -9.611 -1.298 -10.572 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -10.964 1.307 -11.322 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -11.741 -0.230 -11.646 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -12.083 -0.702 -9.406 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -10.693 0.226 -8.878 1.00 0.00 H new ATOM 2068 N GLU A 128 -8.822 0.136 -13.389 1.00 0.00 N ATOM 2069 CA GLU A 128 -8.559 -0.106 -14.803 1.00 0.00 C ATOM 2070 C GLU A 128 -9.862 -0.290 -15.573 1.00 0.00 C ATOM 2071 O GLU A 128 -10.338 -1.441 -15.663 1.00 0.00 O ATOM 2072 CB GLU A 128 -7.672 -1.341 -14.975 1.00 0.00 C ATOM 2073 CG GLU A 128 -7.330 -1.647 -16.424 1.00 0.00 C ATOM 2074 CD GLU A 128 -6.248 -0.737 -16.972 1.00 0.00 C ATOM 2075 OE1 GLU A 128 -5.057 -1.013 -16.719 1.00 0.00 O ATOM 2076 OE2 GLU A 128 -6.592 0.251 -17.654 1.00 0.00 O ATOM 2077 OXT GLU A 128 -10.398 0.719 -16.078 1.00 0.00 O ATOM 0 H GLU A 128 -8.495 1.040 -13.047 1.00 0.00 H new ATOM 0 HA GLU A 128 -8.039 0.764 -15.205 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -6.748 -1.195 -14.415 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -8.176 -2.204 -14.539 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -7.003 -2.684 -16.505 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -8.228 -1.547 -17.034 1.00 0.00 H new TER 2084 GLU A 128