USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 827 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 34:sc= 1.5 USER MOD Single : A 8 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0605) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -168:sc= 0.127 (180deg=-0.0168) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 13 THR OG1 : rot 80:sc= -1.99! USER MOD Single : A 15 THR OG1 : rot -33:sc= 0.543 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0.02) USER MOD Single : A 24 MET CE :methyl -176:sc= -2.77 (180deg=-3.06) USER MOD Single : A 26 THR OG1 : rot 112:sc= -0.299 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -136:sc= -0.213 (180deg=-1.08) USER MOD Single : A 35 ASN : amide:sc= -0.0752 X(o=-0.075,f=-0.031) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 45:sc= 0.0338 USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= 0.00212 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 28:sc= -3.06 USER MOD Single : A 61 ASN : amide:sc= -0.527 K(o=-0.53,f=-1.6) USER MOD Single : A 62 SER OG : rot 180:sc= -0.133 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.393 F(o=-0.95,f=-0.39) USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= 0.0415 (180deg=-0.202) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 0:sc= 0.291 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.244) USER MOD Single : A 84 SER OG : rot 40:sc= 0.17 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -1.8 K(o=-1.8,f=-3.5) USER MOD Single : A 89 CYS SG : rot 180:sc= -1.07 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.0285 X(o=-0.028,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -5.174 9.469 2.249 1.00 0.00 N ATOM 21 CA GLN A 2 -6.184 10.516 1.895 1.00 0.00 C ATOM 22 C GLN A 2 -7.197 9.950 0.894 1.00 0.00 C ATOM 23 O GLN A 2 -8.371 9.832 1.202 1.00 0.00 O ATOM 24 CB GLN A 2 -5.468 11.722 1.284 1.00 0.00 C ATOM 25 CG GLN A 2 -4.841 12.556 2.404 1.00 0.00 C ATOM 26 CD GLN A 2 -4.418 13.921 1.857 1.00 0.00 C ATOM 27 OE1 GLN A 2 -3.246 14.175 1.669 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.331 14.815 1.594 1.00 0.00 N ATOM 0 HA GLN A 2 -6.715 10.825 2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.698 11.389 0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.172 12.328 0.714 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.555 12.685 3.217 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.977 12.036 2.818 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.316 14.600 1.752 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -5.060 15.729 1.230 1.00 0.00 H new ATOM 37 N ASP A 3 -6.747 9.609 -0.298 1.00 0.00 N ATOM 38 CA ASP A 3 -7.669 9.054 -1.341 1.00 0.00 C ATOM 39 C ASP A 3 -6.986 7.889 -2.070 1.00 0.00 C ATOM 40 O ASP A 3 -5.941 7.419 -1.656 1.00 0.00 O ATOM 41 CB ASP A 3 -8.020 10.160 -2.341 1.00 0.00 C ATOM 42 CG ASP A 3 -8.830 11.250 -1.635 1.00 0.00 C ATOM 43 OD1 ASP A 3 -8.290 11.871 -0.733 1.00 0.00 O ATOM 44 OD2 ASP A 3 -9.975 11.446 -2.008 1.00 0.00 O ATOM 0 H ASP A 3 -5.774 9.694 -0.591 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.580 8.689 -0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.110 10.585 -2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.593 9.746 -3.171 1.00 0.00 H new ATOM 49 N TRP A 4 -7.581 7.422 -3.153 1.00 0.00 N ATOM 50 CA TRP A 4 -7.001 6.279 -3.944 1.00 0.00 C ATOM 51 C TRP A 4 -5.513 6.536 -4.236 1.00 0.00 C ATOM 52 O TRP A 4 -4.663 5.737 -3.896 1.00 0.00 O ATOM 53 CB TRP A 4 -7.761 6.153 -5.279 1.00 0.00 C ATOM 54 CG TRP A 4 -8.140 4.725 -5.535 1.00 0.00 C ATOM 55 CD1 TRP A 4 -9.401 4.290 -5.767 1.00 0.00 C ATOM 56 CD2 TRP A 4 -7.286 3.541 -5.599 1.00 0.00 C ATOM 57 NE1 TRP A 4 -9.378 2.921 -5.951 1.00 0.00 N ATOM 58 CE2 TRP A 4 -8.099 2.411 -5.856 1.00 0.00 C ATOM 59 CE3 TRP A 4 -5.902 3.336 -5.455 1.00 0.00 C ATOM 60 CZ2 TRP A 4 -7.558 1.128 -5.965 1.00 0.00 C ATOM 61 CZ3 TRP A 4 -5.354 2.049 -5.565 1.00 0.00 C ATOM 62 CH2 TRP A 4 -6.181 0.946 -5.817 1.00 0.00 C ATOM 0 H TRP A 4 -8.456 7.791 -3.526 1.00 0.00 H new ATOM 0 HA TRP A 4 -7.098 5.360 -3.366 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -8.656 6.774 -5.255 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.139 6.522 -6.095 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -10.283 4.913 -5.802 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -10.207 2.355 -6.135 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -5.255 4.178 -5.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -8.200 0.282 -6.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -4.289 1.908 -5.455 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -5.754 -0.043 -5.897 1.00 0.00 H new ATOM 73 N ALA A 5 -5.219 7.647 -4.875 1.00 0.00 N ATOM 74 CA ALA A 5 -3.806 8.012 -5.251 1.00 0.00 C ATOM 75 C ALA A 5 -2.808 7.706 -4.122 1.00 0.00 C ATOM 76 O ALA A 5 -1.750 7.142 -4.368 1.00 0.00 O ATOM 77 CB ALA A 5 -3.750 9.507 -5.580 1.00 0.00 C ATOM 0 H ALA A 5 -5.916 8.335 -5.160 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.523 7.411 -6.115 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.731 9.781 -5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.420 9.722 -6.413 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.059 10.083 -4.708 1.00 0.00 H new ATOM 83 N THR A 6 -3.136 8.070 -2.901 1.00 0.00 N ATOM 84 CA THR A 6 -2.208 7.809 -1.752 1.00 0.00 C ATOM 85 C THR A 6 -2.150 6.308 -1.480 1.00 0.00 C ATOM 86 O THR A 6 -1.086 5.753 -1.259 1.00 0.00 O ATOM 87 CB THR A 6 -2.694 8.547 -0.498 1.00 0.00 C ATOM 88 OG1 THR A 6 -4.113 8.597 -0.481 1.00 0.00 O ATOM 89 CG2 THR A 6 -2.132 9.969 -0.494 1.00 0.00 C ATOM 0 H THR A 6 -4.008 8.537 -2.652 1.00 0.00 H new ATOM 0 HA THR A 6 -1.213 8.173 -2.007 1.00 0.00 H new ATOM 0 HB THR A 6 -2.347 8.013 0.387 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.474 7.779 -0.882 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.477 10.494 0.397 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.043 9.930 -0.493 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.475 10.498 -1.383 1.00 0.00 H new ATOM 97 N PHE A 7 -3.290 5.654 -1.510 1.00 0.00 N ATOM 98 CA PHE A 7 -3.343 4.178 -1.273 1.00 0.00 C ATOM 99 C PHE A 7 -2.600 3.462 -2.406 1.00 0.00 C ATOM 100 O PHE A 7 -2.050 2.390 -2.212 1.00 0.00 O ATOM 101 CB PHE A 7 -4.808 3.730 -1.253 1.00 0.00 C ATOM 102 CG PHE A 7 -4.898 2.249 -0.960 1.00 0.00 C ATOM 103 CD1 PHE A 7 -4.680 1.774 0.338 1.00 0.00 C ATOM 104 CD2 PHE A 7 -5.211 1.354 -1.990 1.00 0.00 C ATOM 105 CE1 PHE A 7 -4.776 0.402 0.605 1.00 0.00 C ATOM 106 CE2 PHE A 7 -5.310 -0.016 -1.724 1.00 0.00 C ATOM 107 CZ PHE A 7 -5.091 -0.493 -0.426 1.00 0.00 C ATOM 0 H PHE A 7 -4.195 6.088 -1.691 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.874 3.933 -0.320 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.357 4.292 -0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.275 3.947 -2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.438 2.464 1.133 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.376 1.722 -2.992 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.607 0.034 1.606 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.555 -0.705 -2.519 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.165 -1.551 -0.220 1.00 0.00 H new ATOM 117 N LYS A 8 -2.588 4.053 -3.583 1.00 0.00 N ATOM 118 CA LYS A 8 -1.890 3.436 -4.751 1.00 0.00 C ATOM 119 C LYS A 8 -0.391 3.349 -4.457 1.00 0.00 C ATOM 120 O LYS A 8 0.219 2.300 -4.593 1.00 0.00 O ATOM 121 CB LYS A 8 -2.123 4.300 -5.992 1.00 0.00 C ATOM 122 CG LYS A 8 -1.794 3.491 -7.249 1.00 0.00 C ATOM 123 CD LYS A 8 -0.281 3.511 -7.499 1.00 0.00 C ATOM 124 CE LYS A 8 -0.002 3.795 -8.978 1.00 0.00 C ATOM 125 NZ LYS A 8 -0.532 2.676 -9.807 1.00 0.00 N ATOM 0 H LYS A 8 -3.039 4.946 -3.780 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.282 2.434 -4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.159 4.636 -6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.500 5.193 -5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.139 2.464 -7.132 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.319 3.908 -8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.189 4.274 -6.878 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.156 2.554 -7.214 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.470 4.734 -9.274 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.070 3.907 -9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.198 2.781 -10.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.197 1.770 -9.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.572 2.695 -9.792 1.00 0.00 H new ATOM 139 N LYS A 9 0.198 4.450 -4.045 1.00 0.00 N ATOM 140 CA LYS A 9 1.661 4.468 -3.726 1.00 0.00 C ATOM 141 C LYS A 9 1.902 3.777 -2.382 1.00 0.00 C ATOM 142 O LYS A 9 2.975 3.256 -2.129 1.00 0.00 O ATOM 143 CB LYS A 9 2.135 5.919 -3.639 1.00 0.00 C ATOM 144 CG LYS A 9 2.156 6.536 -5.042 1.00 0.00 C ATOM 145 CD LYS A 9 1.659 7.983 -4.975 1.00 0.00 C ATOM 146 CE LYS A 9 2.073 8.721 -6.249 1.00 0.00 C ATOM 147 NZ LYS A 9 1.186 9.902 -6.451 1.00 0.00 N ATOM 0 H LYS A 9 -0.278 5.343 -3.916 1.00 0.00 H new ATOM 0 HA LYS A 9 2.212 3.943 -4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.473 6.491 -2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.130 5.962 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.167 6.507 -5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.525 5.955 -5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.575 8.002 -4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.076 8.482 -4.100 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.112 9.042 -6.175 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.007 8.052 -7.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.468 10.404 -7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.200 9.584 -6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.271 10.543 -5.637 1.00 0.00 H new ATOM 161 N LYS A 10 0.912 3.793 -1.520 1.00 0.00 N ATOM 162 CA LYS A 10 1.045 3.175 -0.169 1.00 0.00 C ATOM 163 C LYS A 10 0.980 1.646 -0.233 1.00 0.00 C ATOM 164 O LYS A 10 1.871 0.977 0.262 1.00 0.00 O ATOM 165 CB LYS A 10 -0.094 3.684 0.713 1.00 0.00 C ATOM 166 CG LYS A 10 0.376 4.894 1.525 1.00 0.00 C ATOM 167 CD LYS A 10 0.767 4.452 2.939 1.00 0.00 C ATOM 168 CE LYS A 10 0.899 5.684 3.840 1.00 0.00 C ATOM 169 NZ LYS A 10 0.667 5.289 5.259 1.00 0.00 N ATOM 0 H LYS A 10 0.003 4.217 -1.703 1.00 0.00 H new ATOM 0 HA LYS A 10 2.016 3.453 0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.949 3.960 0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.428 2.892 1.384 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.227 5.365 1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.417 5.640 1.574 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.015 3.773 3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.709 3.904 2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.891 6.123 3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.179 6.445 3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.554 6.142 5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.195 4.710 5.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.480 4.739 5.603 1.00 0.00 H new ATOM 183 N HIS A 11 -0.087 1.091 -0.783 1.00 0.00 N ATOM 184 CA HIS A 11 -0.234 -0.404 -0.813 1.00 0.00 C ATOM 185 C HIS A 11 -0.407 -0.954 -2.242 1.00 0.00 C ATOM 186 O HIS A 11 -1.037 -1.987 -2.432 1.00 0.00 O ATOM 187 CB HIS A 11 -1.446 -0.791 0.045 1.00 0.00 C ATOM 188 CG HIS A 11 -1.031 -0.862 1.490 1.00 0.00 C ATOM 189 ND1 HIS A 11 -1.094 0.237 2.332 1.00 0.00 N ATOM 190 CD2 HIS A 11 -0.542 -1.892 2.253 1.00 0.00 C ATOM 191 CE1 HIS A 11 -0.652 -0.153 3.542 1.00 0.00 C ATOM 192 NE2 HIS A 11 -0.303 -1.443 3.549 1.00 0.00 N ATOM 0 H HIS A 11 -0.856 1.609 -1.209 1.00 0.00 H new ATOM 0 HA HIS A 11 0.681 -0.843 -0.417 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.243 -0.059 -0.081 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.843 -1.753 -0.279 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.369 -2.898 1.902 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.587 0.497 4.402 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.060 -1.983 4.335 1.00 0.00 H new ATOM 200 N LEU A 12 0.156 -0.309 -3.243 1.00 0.00 N ATOM 201 CA LEU A 12 0.024 -0.848 -4.642 1.00 0.00 C ATOM 202 C LEU A 12 1.276 -0.553 -5.462 1.00 0.00 C ATOM 203 O LEU A 12 1.873 0.506 -5.355 1.00 0.00 O ATOM 204 CB LEU A 12 -1.192 -0.239 -5.339 1.00 0.00 C ATOM 205 CG LEU A 12 -2.461 -0.998 -4.926 1.00 0.00 C ATOM 206 CD1 LEU A 12 -3.220 -0.204 -3.852 1.00 0.00 C ATOM 207 CD2 LEU A 12 -3.358 -1.194 -6.155 1.00 0.00 C ATOM 0 H LEU A 12 0.693 0.554 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.104 -1.928 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.285 0.814 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.064 -0.286 -6.420 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.184 -1.970 -4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.119 -0.749 -3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.581 -0.071 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.499 0.772 -4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.260 -1.733 -5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.632 -0.222 -6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.820 -1.767 -6.910 1.00 0.00 H new ATOM 219 N THR A 13 1.653 -1.499 -6.289 1.00 0.00 N ATOM 220 CA THR A 13 2.853 -1.342 -7.168 1.00 0.00 C ATOM 221 C THR A 13 2.611 -2.092 -8.482 1.00 0.00 C ATOM 222 O THR A 13 1.580 -2.720 -8.666 1.00 0.00 O ATOM 223 CB THR A 13 4.092 -1.911 -6.465 1.00 0.00 C ATOM 224 OG1 THR A 13 5.197 -1.903 -7.360 1.00 0.00 O ATOM 225 CG2 THR A 13 3.813 -3.343 -6.006 1.00 0.00 C ATOM 0 H THR A 13 1.169 -2.391 -6.393 1.00 0.00 H new ATOM 0 HA THR A 13 3.020 -0.285 -7.374 1.00 0.00 H new ATOM 0 HB THR A 13 4.327 -1.294 -5.597 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.580 -1.002 -7.398 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.695 -3.744 -5.507 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.972 -3.346 -5.313 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.573 -3.962 -6.870 1.00 0.00 H new ATOM 233 N ASP A 14 3.557 -2.019 -9.387 1.00 0.00 N ATOM 234 CA ASP A 14 3.415 -2.713 -10.707 1.00 0.00 C ATOM 235 C ASP A 14 4.566 -3.708 -10.913 1.00 0.00 C ATOM 236 O ASP A 14 4.870 -4.084 -12.034 1.00 0.00 O ATOM 237 CB ASP A 14 3.424 -1.667 -11.827 1.00 0.00 C ATOM 238 CG ASP A 14 4.677 -0.795 -11.701 1.00 0.00 C ATOM 239 OD1 ASP A 14 4.670 0.103 -10.874 1.00 0.00 O ATOM 240 OD2 ASP A 14 5.619 -1.036 -12.438 1.00 0.00 O ATOM 0 H ASP A 14 4.429 -1.504 -9.267 1.00 0.00 H new ATOM 0 HA ASP A 14 2.474 -3.264 -10.725 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.407 -2.159 -12.799 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.529 -1.047 -11.768 1.00 0.00 H new ATOM 245 N THR A 15 5.193 -4.139 -9.835 1.00 0.00 N ATOM 246 CA THR A 15 6.326 -5.115 -9.936 1.00 0.00 C ATOM 247 C THR A 15 6.624 -5.693 -8.550 1.00 0.00 C ATOM 248 O THR A 15 6.590 -4.981 -7.559 1.00 0.00 O ATOM 249 CB THR A 15 7.579 -4.399 -10.459 1.00 0.00 C ATOM 250 OG1 THR A 15 7.281 -3.746 -11.685 1.00 0.00 O ATOM 251 CG2 THR A 15 8.706 -5.412 -10.683 1.00 0.00 C ATOM 0 H THR A 15 4.963 -3.851 -8.884 1.00 0.00 H new ATOM 0 HA THR A 15 6.050 -5.917 -10.621 1.00 0.00 H new ATOM 0 HB THR A 15 7.899 -3.662 -9.722 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.612 -4.265 -12.178 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.591 -4.895 -11.054 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.943 -5.907 -9.741 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.387 -6.156 -11.413 1.00 0.00 H new ATOM 259 N TRP A 16 6.932 -6.974 -8.485 1.00 0.00 N ATOM 260 CA TRP A 16 7.258 -7.616 -7.175 1.00 0.00 C ATOM 261 C TRP A 16 8.529 -6.973 -6.624 1.00 0.00 C ATOM 262 O TRP A 16 8.688 -6.817 -5.424 1.00 0.00 O ATOM 263 CB TRP A 16 7.485 -9.122 -7.380 1.00 0.00 C ATOM 264 CG TRP A 16 7.666 -9.825 -6.057 1.00 0.00 C ATOM 265 CD1 TRP A 16 7.352 -9.325 -4.831 1.00 0.00 C ATOM 266 CD2 TRP A 16 8.200 -11.160 -5.820 1.00 0.00 C ATOM 267 NE1 TRP A 16 7.669 -10.265 -3.868 1.00 0.00 N ATOM 268 CE2 TRP A 16 8.191 -11.413 -4.428 1.00 0.00 C ATOM 269 CE3 TRP A 16 8.687 -12.163 -6.674 1.00 0.00 C ATOM 270 CZ2 TRP A 16 8.650 -12.622 -3.902 1.00 0.00 C ATOM 271 CZ3 TRP A 16 9.150 -13.380 -6.149 1.00 0.00 C ATOM 272 CH2 TRP A 16 9.131 -13.609 -4.766 1.00 0.00 C ATOM 0 H TRP A 16 6.970 -7.599 -9.290 1.00 0.00 H new ATOM 0 HA TRP A 16 6.435 -7.476 -6.474 1.00 0.00 H new ATOM 0 HB2 TRP A 16 6.637 -9.553 -7.912 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.365 -9.280 -8.003 1.00 0.00 H new ATOM 0 HD1 TRP A 16 6.924 -8.352 -4.641 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.534 -10.127 -2.867 1.00 0.00 H new ATOM 0 HE3 TRP A 16 8.705 -11.997 -7.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 8.633 -12.793 -2.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 9.523 -14.144 -6.815 1.00 0.00 H new ATOM 0 HH2 TRP A 16 9.488 -14.548 -4.369 1.00 0.00 H new ATOM 283 N ASP A 17 9.423 -6.584 -7.509 1.00 0.00 N ATOM 284 CA ASP A 17 10.695 -5.923 -7.090 1.00 0.00 C ATOM 285 C ASP A 17 10.556 -4.414 -7.335 1.00 0.00 C ATOM 286 O ASP A 17 10.885 -3.911 -8.400 1.00 0.00 O ATOM 287 CB ASP A 17 11.859 -6.494 -7.908 1.00 0.00 C ATOM 288 CG ASP A 17 12.533 -7.620 -7.122 1.00 0.00 C ATOM 289 OD1 ASP A 17 13.118 -7.328 -6.092 1.00 0.00 O ATOM 290 OD2 ASP A 17 12.455 -8.754 -7.565 1.00 0.00 O ATOM 0 H ASP A 17 9.318 -6.701 -8.517 1.00 0.00 H new ATOM 0 HA ASP A 17 10.893 -6.105 -6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.495 -6.871 -8.864 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.581 -5.708 -8.130 1.00 0.00 H new ATOM 295 N VAL A 18 10.041 -3.703 -6.354 1.00 0.00 N ATOM 296 CA VAL A 18 9.832 -2.230 -6.489 1.00 0.00 C ATOM 297 C VAL A 18 11.148 -1.489 -6.270 1.00 0.00 C ATOM 298 O VAL A 18 12.085 -2.018 -5.696 1.00 0.00 O ATOM 299 CB VAL A 18 8.808 -1.775 -5.446 1.00 0.00 C ATOM 300 CG1 VAL A 18 8.506 -0.283 -5.626 1.00 0.00 C ATOM 301 CG2 VAL A 18 7.520 -2.580 -5.626 1.00 0.00 C ATOM 0 H VAL A 18 9.754 -4.091 -5.455 1.00 0.00 H new ATOM 0 HA VAL A 18 9.467 -2.007 -7.492 1.00 0.00 H new ATOM 0 HB VAL A 18 9.212 -1.938 -4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.777 0.033 -4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.424 0.292 -5.502 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.102 -0.111 -6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.785 -2.261 -4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.123 -2.412 -6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.732 -3.641 -5.493 1.00 0.00 H new ATOM 311 N ASP A 19 11.201 -0.259 -6.724 1.00 0.00 N ATOM 312 CA ASP A 19 12.427 0.580 -6.563 1.00 0.00 C ATOM 313 C ASP A 19 12.201 1.574 -5.419 1.00 0.00 C ATOM 314 O ASP A 19 11.624 2.634 -5.608 1.00 0.00 O ATOM 315 CB ASP A 19 12.708 1.336 -7.866 1.00 0.00 C ATOM 316 CG ASP A 19 13.403 0.403 -8.860 1.00 0.00 C ATOM 317 OD1 ASP A 19 12.730 -0.459 -9.401 1.00 0.00 O ATOM 318 OD2 ASP A 19 14.595 0.567 -9.063 1.00 0.00 O ATOM 0 H ASP A 19 10.432 0.205 -7.207 1.00 0.00 H new ATOM 0 HA ASP A 19 13.283 -0.054 -6.332 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.776 1.708 -8.291 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.336 2.204 -7.666 1.00 0.00 H new ATOM 323 N CYS A 20 12.647 1.221 -4.234 1.00 0.00 N ATOM 324 CA CYS A 20 12.476 2.105 -3.038 1.00 0.00 C ATOM 325 C CYS A 20 13.089 3.483 -3.308 1.00 0.00 C ATOM 326 O CYS A 20 12.532 4.497 -2.933 1.00 0.00 O ATOM 327 CB CYS A 20 13.186 1.465 -1.844 1.00 0.00 C ATOM 328 SG CYS A 20 12.357 -0.080 -1.396 1.00 0.00 S ATOM 0 H CYS A 20 13.130 0.343 -4.045 1.00 0.00 H new ATOM 0 HA CYS A 20 11.413 2.224 -2.827 1.00 0.00 H new ATOM 0 HB2 CYS A 20 14.230 1.270 -2.091 1.00 0.00 H new ATOM 0 HB3 CYS A 20 13.182 2.150 -0.996 1.00 0.00 H new ATOM 333 N ASP A 21 14.237 3.509 -3.948 1.00 0.00 N ATOM 334 CA ASP A 21 14.939 4.802 -4.250 1.00 0.00 C ATOM 335 C ASP A 21 14.114 5.699 -5.188 1.00 0.00 C ATOM 336 O ASP A 21 14.474 6.847 -5.398 1.00 0.00 O ATOM 337 CB ASP A 21 16.288 4.500 -4.905 1.00 0.00 C ATOM 338 CG ASP A 21 16.070 3.651 -6.159 1.00 0.00 C ATOM 339 OD1 ASP A 21 15.445 4.146 -7.084 1.00 0.00 O ATOM 340 OD2 ASP A 21 16.531 2.522 -6.174 1.00 0.00 O ATOM 0 H ASP A 21 14.725 2.676 -4.279 1.00 0.00 H new ATOM 0 HA ASP A 21 15.076 5.336 -3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.793 5.430 -5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.934 3.972 -4.204 1.00 0.00 H new ATOM 345 N ASN A 22 13.037 5.196 -5.762 1.00 0.00 N ATOM 346 CA ASN A 22 12.213 6.028 -6.696 1.00 0.00 C ATOM 347 C ASN A 22 10.974 6.578 -5.975 1.00 0.00 C ATOM 348 O ASN A 22 10.524 7.675 -6.266 1.00 0.00 O ATOM 349 CB ASN A 22 11.775 5.165 -7.886 1.00 0.00 C ATOM 350 CG ASN A 22 12.699 5.425 -9.079 1.00 0.00 C ATOM 351 OD1 ASN A 22 13.678 4.729 -9.270 1.00 0.00 O ATOM 352 ND2 ASN A 22 12.427 6.406 -9.896 1.00 0.00 N ATOM 0 H ASN A 22 12.698 4.245 -5.620 1.00 0.00 H new ATOM 0 HA ASN A 22 12.813 6.868 -7.047 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.805 4.110 -7.613 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.744 5.395 -8.155 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.035 6.589 -10.694 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.606 6.990 -9.736 1.00 0.00 H new ATOM 359 N LEU A 23 10.409 5.811 -5.066 1.00 0.00 N ATOM 360 CA LEU A 23 9.175 6.255 -4.337 1.00 0.00 C ATOM 361 C LEU A 23 9.501 6.744 -2.919 1.00 0.00 C ATOM 362 O LEU A 23 9.014 7.775 -2.490 1.00 0.00 O ATOM 363 CB LEU A 23 8.210 5.068 -4.239 1.00 0.00 C ATOM 364 CG LEU A 23 7.453 4.870 -5.560 1.00 0.00 C ATOM 365 CD1 LEU A 23 6.623 6.116 -5.880 1.00 0.00 C ATOM 366 CD2 LEU A 23 8.440 4.606 -6.701 1.00 0.00 C ATOM 0 H LEU A 23 10.754 4.890 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 23 8.729 7.082 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.764 4.162 -3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.500 5.237 -3.429 1.00 0.00 H new ATOM 0 HG LEU A 23 6.790 4.011 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.089 5.967 -6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.905 6.291 -5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.283 6.979 -5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.891 4.467 -7.632 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.116 5.455 -6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.017 3.707 -6.483 1.00 0.00 H new ATOM 378 N MET A 24 10.283 5.986 -2.185 1.00 0.00 N ATOM 379 CA MET A 24 10.620 6.351 -0.767 1.00 0.00 C ATOM 380 C MET A 24 11.156 7.800 -0.644 1.00 0.00 C ATOM 381 O MET A 24 10.673 8.537 0.195 1.00 0.00 O ATOM 382 CB MET A 24 11.665 5.370 -0.227 1.00 0.00 C ATOM 383 CG MET A 24 11.277 4.922 1.185 1.00 0.00 C ATOM 384 SD MET A 24 9.841 3.825 1.095 1.00 0.00 S ATOM 385 CE MET A 24 10.048 3.054 2.719 1.00 0.00 C ATOM 0 H MET A 24 10.708 5.118 -2.511 1.00 0.00 H new ATOM 0 HA MET A 24 9.702 6.292 -0.182 1.00 0.00 H new ATOM 0 HB2 MET A 24 11.739 4.504 -0.885 1.00 0.00 H new ATOM 0 HB3 MET A 24 12.647 5.843 -0.211 1.00 0.00 H new ATOM 0 HG2 MET A 24 12.113 4.406 1.657 1.00 0.00 H new ATOM 0 HG3 MET A 24 11.047 5.790 1.803 1.00 0.00 H new ATOM 0 HE1 MET A 24 9.296 2.276 2.851 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.043 2.613 2.788 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.930 3.808 3.497 1.00 0.00 H new ATOM 395 N PRO A 25 12.155 8.167 -1.443 1.00 0.00 N ATOM 396 CA PRO A 25 12.762 9.521 -1.375 1.00 0.00 C ATOM 397 C PRO A 25 11.913 10.602 -2.066 1.00 0.00 C ATOM 398 O PRO A 25 12.371 11.723 -2.219 1.00 0.00 O ATOM 399 CB PRO A 25 14.096 9.355 -2.103 1.00 0.00 C ATOM 400 CG PRO A 25 13.941 8.126 -3.028 1.00 0.00 C ATOM 401 CD PRO A 25 12.777 7.292 -2.466 1.00 0.00 C ATOM 0 HA PRO A 25 12.855 9.858 -0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.336 10.248 -2.681 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.910 9.206 -1.393 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.735 8.436 -4.052 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.860 7.541 -3.051 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.065 7.027 -3.248 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.132 6.359 -2.028 1.00 0.00 H new ATOM 409 N THR A 26 10.696 10.292 -2.476 1.00 0.00 N ATOM 410 CA THR A 26 9.835 11.326 -3.150 1.00 0.00 C ATOM 411 C THR A 26 9.195 12.222 -2.080 1.00 0.00 C ATOM 412 O THR A 26 9.518 12.126 -0.907 1.00 0.00 O ATOM 413 CB THR A 26 8.733 10.659 -3.994 1.00 0.00 C ATOM 414 OG1 THR A 26 9.139 9.352 -4.387 1.00 0.00 O ATOM 415 CG2 THR A 26 8.468 11.498 -5.250 1.00 0.00 C ATOM 0 H THR A 26 10.266 9.373 -2.373 1.00 0.00 H new ATOM 0 HA THR A 26 10.459 11.924 -3.815 1.00 0.00 H new ATOM 0 HB THR A 26 7.825 10.591 -3.394 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.587 8.686 -3.926 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.688 11.024 -5.846 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.145 12.498 -4.958 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.382 11.569 -5.840 1.00 0.00 H new ATOM 423 N SER A 27 8.297 13.094 -2.488 1.00 0.00 N ATOM 424 CA SER A 27 7.617 14.023 -1.527 1.00 0.00 C ATOM 425 C SER A 27 6.473 13.297 -0.818 1.00 0.00 C ATOM 426 O SER A 27 6.128 13.624 0.307 1.00 0.00 O ATOM 427 CB SER A 27 7.057 15.220 -2.292 1.00 0.00 C ATOM 428 OG SER A 27 6.100 14.762 -3.241 1.00 0.00 O ATOM 0 H SER A 27 8.004 13.201 -3.459 1.00 0.00 H new ATOM 0 HA SER A 27 8.340 14.362 -0.785 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.594 15.924 -1.601 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.862 15.753 -2.798 1.00 0.00 H new ATOM 0 HG SER A 27 5.736 15.527 -3.734 1.00 0.00 H new ATOM 434 N LEU A 28 5.891 12.313 -1.471 1.00 0.00 N ATOM 435 CA LEU A 28 4.765 11.540 -0.863 1.00 0.00 C ATOM 436 C LEU A 28 5.328 10.664 0.252 1.00 0.00 C ATOM 437 O LEU A 28 4.777 10.596 1.338 1.00 0.00 O ATOM 438 CB LEU A 28 4.118 10.655 -1.935 1.00 0.00 C ATOM 439 CG LEU A 28 2.929 9.887 -1.336 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.617 10.501 -1.831 1.00 0.00 C ATOM 441 CD2 LEU A 28 2.994 8.419 -1.771 1.00 0.00 C ATOM 0 H LEU A 28 6.155 12.013 -2.410 1.00 0.00 H new ATOM 0 HA LEU A 28 4.014 12.220 -0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.781 11.269 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.852 9.953 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 28 2.974 9.949 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.776 9.954 -1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.565 11.545 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.575 10.441 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.150 7.876 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.953 8.360 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.926 7.976 -1.419 1.00 0.00 H new ATOM 453 N PHE A 29 6.429 10.006 -0.026 1.00 0.00 N ATOM 454 CA PHE A 29 7.079 9.127 0.987 1.00 0.00 C ATOM 455 C PHE A 29 7.934 9.991 1.912 1.00 0.00 C ATOM 456 O PHE A 29 8.048 9.719 3.096 1.00 0.00 O ATOM 457 CB PHE A 29 7.962 8.107 0.270 1.00 0.00 C ATOM 458 CG PHE A 29 7.091 7.076 -0.400 1.00 0.00 C ATOM 459 CD1 PHE A 29 6.459 7.378 -1.612 1.00 0.00 C ATOM 460 CD2 PHE A 29 6.912 5.820 0.189 1.00 0.00 C ATOM 461 CE1 PHE A 29 5.650 6.423 -2.235 1.00 0.00 C ATOM 462 CE2 PHE A 29 6.103 4.864 -0.434 1.00 0.00 C ATOM 463 CZ PHE A 29 5.472 5.166 -1.647 1.00 0.00 C ATOM 0 H PHE A 29 6.908 10.044 -0.926 1.00 0.00 H new ATOM 0 HA PHE A 29 6.324 8.602 1.572 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.588 8.607 -0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.633 7.626 0.982 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.596 8.348 -2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.399 5.588 1.125 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.162 6.656 -3.170 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.965 3.894 0.020 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.848 4.428 -2.129 1.00 0.00 H new ATOM 473 N ASP A 30 8.525 11.036 1.368 1.00 0.00 N ATOM 474 CA ASP A 30 9.378 11.963 2.185 1.00 0.00 C ATOM 475 C ASP A 30 10.465 11.163 2.931 1.00 0.00 C ATOM 476 O ASP A 30 10.825 11.482 4.057 1.00 0.00 O ATOM 477 CB ASP A 30 8.479 12.704 3.187 1.00 0.00 C ATOM 478 CG ASP A 30 9.217 13.927 3.734 1.00 0.00 C ATOM 479 OD1 ASP A 30 9.519 14.812 2.951 1.00 0.00 O ATOM 480 OD2 ASP A 30 9.464 13.960 4.929 1.00 0.00 O ATOM 0 H ASP A 30 8.450 11.287 0.382 1.00 0.00 H new ATOM 0 HA ASP A 30 9.872 12.684 1.533 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.554 13.013 2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.203 12.038 4.004 1.00 0.00 H new ATOM 485 N CYS A 31 10.985 10.124 2.305 1.00 0.00 N ATOM 486 CA CYS A 31 12.047 9.284 2.953 1.00 0.00 C ATOM 487 C CYS A 31 11.470 8.665 4.239 1.00 0.00 C ATOM 488 O CYS A 31 12.131 8.589 5.266 1.00 0.00 O ATOM 489 CB CYS A 31 13.268 10.167 3.275 1.00 0.00 C ATOM 490 SG CYS A 31 14.654 9.712 2.200 1.00 0.00 S ATOM 0 H CYS A 31 10.715 9.823 1.368 1.00 0.00 H new ATOM 0 HA CYS A 31 12.364 8.485 2.283 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.016 11.218 3.134 1.00 0.00 H new ATOM 0 HB3 CYS A 31 13.551 10.045 4.320 1.00 0.00 H new ATOM 495 N LYS A 32 10.225 8.228 4.178 1.00 0.00 N ATOM 496 CA LYS A 32 9.552 7.616 5.369 1.00 0.00 C ATOM 497 C LYS A 32 10.390 6.450 5.906 1.00 0.00 C ATOM 498 O LYS A 32 11.461 6.161 5.400 1.00 0.00 O ATOM 499 CB LYS A 32 8.154 7.116 4.963 1.00 0.00 C ATOM 500 CG LYS A 32 7.078 7.955 5.662 1.00 0.00 C ATOM 501 CD LYS A 32 5.750 7.828 4.909 1.00 0.00 C ATOM 502 CE LYS A 32 4.711 8.754 5.548 1.00 0.00 C ATOM 503 NZ LYS A 32 4.119 8.089 6.745 1.00 0.00 N ATOM 0 H LYS A 32 9.644 8.273 3.341 1.00 0.00 H new ATOM 0 HA LYS A 32 9.455 8.366 6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.034 7.182 3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.041 6.066 5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.956 7.621 6.692 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.386 9.000 5.700 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.888 8.088 3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.400 6.796 4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.177 9.696 5.836 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.929 8.992 4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.414 8.718 7.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.660 7.201 6.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.870 7.883 7.435 1.00 0.00 H new ATOM 517 N ASP A 33 9.900 5.800 6.939 1.00 0.00 N ATOM 518 CA ASP A 33 10.636 4.654 7.563 1.00 0.00 C ATOM 519 C ASP A 33 10.401 3.366 6.768 1.00 0.00 C ATOM 520 O ASP A 33 11.321 2.821 6.181 1.00 0.00 O ATOM 521 CB ASP A 33 10.146 4.453 8.999 1.00 0.00 C ATOM 522 CG ASP A 33 10.232 5.776 9.764 1.00 0.00 C ATOM 523 OD1 ASP A 33 11.339 6.196 10.060 1.00 0.00 O ATOM 524 OD2 ASP A 33 9.189 6.344 10.044 1.00 0.00 O ATOM 0 H ASP A 33 9.008 6.020 7.381 1.00 0.00 H new ATOM 0 HA ASP A 33 11.702 4.883 7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.118 4.090 8.995 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.750 3.694 9.497 1.00 0.00 H new ATOM 529 N LYS A 34 9.182 2.866 6.770 1.00 0.00 N ATOM 530 CA LYS A 34 8.875 1.595 6.036 1.00 0.00 C ATOM 531 C LYS A 34 7.521 1.700 5.329 1.00 0.00 C ATOM 532 O LYS A 34 6.594 2.306 5.839 1.00 0.00 O ATOM 533 CB LYS A 34 8.828 0.432 7.032 1.00 0.00 C ATOM 534 CG LYS A 34 10.228 0.155 7.585 1.00 0.00 C ATOM 535 CD LYS A 34 10.120 -0.305 9.041 1.00 0.00 C ATOM 536 CE LYS A 34 9.567 -1.731 9.087 1.00 0.00 C ATOM 537 NZ LYS A 34 8.082 -1.686 9.183 1.00 0.00 N ATOM 0 H LYS A 34 8.387 3.287 7.250 1.00 0.00 H new ATOM 0 HA LYS A 34 9.654 1.423 5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.147 0.670 7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.439 -0.461 6.542 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.722 -0.610 6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.840 1.054 7.521 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.099 -0.268 9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.468 0.367 9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.868 -2.278 8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.981 -2.265 9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.759 -2.375 9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.781 -0.732 9.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.667 -1.919 8.258 1.00 0.00 H new ATOM 551 N ASN A 35 7.410 1.088 4.167 1.00 0.00 N ATOM 552 CA ASN A 35 6.125 1.102 3.398 1.00 0.00 C ATOM 553 C ASN A 35 5.870 -0.303 2.849 1.00 0.00 C ATOM 554 O ASN A 35 6.802 -1.031 2.556 1.00 0.00 O ATOM 555 CB ASN A 35 6.225 2.102 2.234 1.00 0.00 C ATOM 556 CG ASN A 35 5.372 3.337 2.540 1.00 0.00 C ATOM 557 OD1 ASN A 35 5.770 4.186 3.313 1.00 0.00 O ATOM 558 ND2 ASN A 35 4.205 3.477 1.966 1.00 0.00 N ATOM 0 H ASN A 35 8.167 0.574 3.717 1.00 0.00 H new ATOM 0 HA ASN A 35 5.305 1.403 4.051 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.264 2.394 2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.886 1.634 1.310 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.632 4.297 2.168 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.868 2.767 1.317 1.00 0.00 H new ATOM 565 N THR A 36 4.616 -0.684 2.716 1.00 0.00 N ATOM 566 CA THR A 36 4.281 -2.045 2.189 1.00 0.00 C ATOM 567 C THR A 36 3.387 -1.913 0.959 1.00 0.00 C ATOM 568 O THR A 36 2.324 -1.323 1.024 1.00 0.00 O ATOM 569 CB THR A 36 3.548 -2.849 3.264 1.00 0.00 C ATOM 570 OG1 THR A 36 4.177 -2.641 4.522 1.00 0.00 O ATOM 571 CG2 THR A 36 3.593 -4.335 2.906 1.00 0.00 C ATOM 0 H THR A 36 3.810 -0.106 2.952 1.00 0.00 H new ATOM 0 HA THR A 36 5.202 -2.559 1.916 1.00 0.00 H new ATOM 0 HB THR A 36 2.510 -2.522 3.321 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.707 -3.154 5.212 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.071 -4.910 3.671 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.110 -4.492 1.942 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.631 -4.664 2.850 1.00 0.00 H new ATOM 579 N PHE A 37 3.820 -2.463 -0.156 1.00 0.00 N ATOM 580 CA PHE A 37 3.017 -2.387 -1.418 1.00 0.00 C ATOM 581 C PHE A 37 2.349 -3.738 -1.681 1.00 0.00 C ATOM 582 O PHE A 37 2.762 -4.756 -1.151 1.00 0.00 O ATOM 583 CB PHE A 37 3.933 -2.044 -2.602 1.00 0.00 C ATOM 584 CG PHE A 37 4.842 -0.884 -2.254 1.00 0.00 C ATOM 585 CD1 PHE A 37 4.311 0.290 -1.703 1.00 0.00 C ATOM 586 CD2 PHE A 37 6.219 -0.986 -2.487 1.00 0.00 C ATOM 587 CE1 PHE A 37 5.158 1.360 -1.386 1.00 0.00 C ATOM 588 CE2 PHE A 37 7.064 0.084 -2.171 1.00 0.00 C ATOM 589 CZ PHE A 37 6.534 1.257 -1.620 1.00 0.00 C ATOM 0 H PHE A 37 4.704 -2.965 -0.243 1.00 0.00 H new ATOM 0 HA PHE A 37 2.258 -1.612 -1.309 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.532 -2.915 -2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.330 -1.792 -3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.249 0.370 -1.523 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.629 -1.891 -2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.749 2.265 -0.961 1.00 0.00 H new ATOM 0 HE2 PHE A 37 8.126 0.005 -2.352 1.00 0.00 H new ATOM 0 HZ PHE A 37 7.187 2.082 -1.376 1.00 0.00 H new ATOM 599 N ILE A 38 1.327 -3.742 -2.509 1.00 0.00 N ATOM 600 CA ILE A 38 0.605 -5.009 -2.853 1.00 0.00 C ATOM 601 C ILE A 38 0.821 -5.314 -4.335 1.00 0.00 C ATOM 602 O ILE A 38 0.919 -4.408 -5.152 1.00 0.00 O ATOM 603 CB ILE A 38 -0.894 -4.833 -2.574 1.00 0.00 C ATOM 604 CG1 ILE A 38 -1.102 -4.425 -1.103 1.00 0.00 C ATOM 605 CG2 ILE A 38 -1.634 -6.146 -2.860 1.00 0.00 C ATOM 606 CD1 ILE A 38 -0.579 -5.521 -0.166 1.00 0.00 C ATOM 0 H ILE A 38 0.959 -2.908 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 38 0.987 -5.832 -2.249 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.291 -4.052 -3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.583 -3.488 -0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.161 -4.250 -0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.698 -6.015 -2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.492 -6.423 -3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.239 -6.934 -2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.733 -5.218 0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.117 -6.450 -0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.485 -5.675 -0.345 1.00 0.00 H new ATOM 618 N TYR A 39 0.895 -6.582 -4.677 1.00 0.00 N ATOM 619 CA TYR A 39 1.103 -6.984 -6.101 1.00 0.00 C ATOM 620 C TYR A 39 -0.265 -7.278 -6.735 1.00 0.00 C ATOM 621 O TYR A 39 -0.685 -8.421 -6.858 1.00 0.00 O ATOM 622 CB TYR A 39 1.997 -8.231 -6.152 1.00 0.00 C ATOM 623 CG TYR A 39 2.526 -8.424 -7.555 1.00 0.00 C ATOM 624 CD1 TYR A 39 3.177 -7.370 -8.211 1.00 0.00 C ATOM 625 CD2 TYR A 39 2.365 -9.656 -8.200 1.00 0.00 C ATOM 626 CE1 TYR A 39 3.664 -7.550 -9.511 1.00 0.00 C ATOM 627 CE2 TYR A 39 2.853 -9.835 -9.500 1.00 0.00 C ATOM 628 CZ TYR A 39 3.503 -8.783 -10.156 1.00 0.00 C ATOM 629 OH TYR A 39 3.981 -8.958 -11.439 1.00 0.00 O ATOM 0 H TYR A 39 0.819 -7.359 -4.021 1.00 0.00 H new ATOM 0 HA TYR A 39 1.591 -6.182 -6.655 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.826 -8.124 -5.452 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.430 -9.109 -5.843 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.303 -6.420 -7.714 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.864 -10.469 -7.695 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.164 -6.738 -10.017 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.728 -10.786 -9.997 1.00 0.00 H new ATOM 0 HH TYR A 39 3.788 -9.871 -11.738 1.00 0.00 H new ATOM 639 N SER A 40 -0.962 -6.232 -7.124 1.00 0.00 N ATOM 640 CA SER A 40 -2.314 -6.386 -7.745 1.00 0.00 C ATOM 641 C SER A 40 -2.642 -5.140 -8.571 1.00 0.00 C ATOM 642 O SER A 40 -1.864 -4.199 -8.622 1.00 0.00 O ATOM 643 CB SER A 40 -3.360 -6.565 -6.641 1.00 0.00 C ATOM 644 OG SER A 40 -3.765 -7.927 -6.595 1.00 0.00 O ATOM 0 H SER A 40 -0.644 -5.267 -7.035 1.00 0.00 H new ATOM 0 HA SER A 40 -2.321 -7.260 -8.396 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.945 -6.264 -5.679 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.221 -5.924 -6.832 1.00 0.00 H new ATOM 0 HG SER A 40 -2.975 -8.505 -6.644 1.00 0.00 H new ATOM 650 N LEU A 41 -3.788 -5.139 -9.214 1.00 0.00 N ATOM 651 CA LEU A 41 -4.199 -3.970 -10.052 1.00 0.00 C ATOM 652 C LEU A 41 -5.363 -3.234 -9.363 1.00 0.00 C ATOM 653 O LEU A 41 -6.055 -3.825 -8.551 1.00 0.00 O ATOM 654 CB LEU A 41 -4.652 -4.455 -11.440 1.00 0.00 C ATOM 655 CG LEU A 41 -3.441 -4.860 -12.300 1.00 0.00 C ATOM 656 CD1 LEU A 41 -2.475 -3.677 -12.451 1.00 0.00 C ATOM 657 CD2 LEU A 41 -2.712 -6.041 -11.650 1.00 0.00 C ATOM 0 H LEU A 41 -4.460 -5.906 -9.192 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.352 -3.294 -10.167 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.327 -5.304 -11.331 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.212 -3.665 -11.941 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.797 -5.154 -13.288 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.624 -3.978 -13.061 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.990 -2.846 -12.932 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.124 -3.366 -11.467 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.856 -6.323 -12.264 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.367 -5.754 -10.657 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.393 -6.888 -11.567 1.00 0.00 H new ATOM 669 N PRO A 42 -5.558 -1.966 -9.706 1.00 0.00 N ATOM 670 CA PRO A 42 -6.643 -1.148 -9.121 1.00 0.00 C ATOM 671 C PRO A 42 -8.005 -1.504 -9.740 1.00 0.00 C ATOM 672 O PRO A 42 -9.037 -1.085 -9.243 1.00 0.00 O ATOM 673 CB PRO A 42 -6.238 0.290 -9.458 1.00 0.00 C ATOM 674 CG PRO A 42 -5.277 0.208 -10.667 1.00 0.00 C ATOM 675 CD PRO A 42 -4.733 -1.233 -10.703 1.00 0.00 C ATOM 0 HA PRO A 42 -6.761 -1.311 -8.050 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.114 0.892 -9.700 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.750 0.764 -8.607 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.799 0.448 -11.593 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.464 0.926 -10.564 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.830 -1.670 -11.697 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.675 -1.265 -10.443 1.00 0.00 H new ATOM 683 N GLY A 43 -8.011 -2.278 -10.812 1.00 0.00 N ATOM 684 CA GLY A 43 -9.293 -2.680 -11.471 1.00 0.00 C ATOM 685 C GLY A 43 -10.022 -3.729 -10.607 1.00 0.00 C ATOM 686 O GLY A 43 -11.160 -3.509 -10.234 1.00 0.00 O ATOM 0 H GLY A 43 -7.171 -2.648 -11.257 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.929 -1.806 -11.611 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.090 -3.089 -12.461 1.00 0.00 H new ATOM 690 N PRO A 44 -9.356 -4.845 -10.313 1.00 0.00 N ATOM 691 CA PRO A 44 -9.951 -5.927 -9.498 1.00 0.00 C ATOM 692 C PRO A 44 -10.008 -5.529 -8.020 1.00 0.00 C ATOM 693 O PRO A 44 -10.892 -5.958 -7.298 1.00 0.00 O ATOM 694 CB PRO A 44 -9.008 -7.115 -9.717 1.00 0.00 C ATOM 695 CG PRO A 44 -7.658 -6.522 -10.172 1.00 0.00 C ATOM 696 CD PRO A 44 -7.965 -5.132 -10.753 1.00 0.00 C ATOM 0 HA PRO A 44 -10.979 -6.153 -9.782 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.889 -7.691 -8.799 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.407 -7.794 -10.470 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.965 -6.448 -9.334 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.187 -7.160 -10.920 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.268 -4.382 -10.379 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.884 -5.129 -11.840 1.00 0.00 H new ATOM 704 N VAL A 45 -9.085 -4.699 -7.580 1.00 0.00 N ATOM 705 CA VAL A 45 -9.082 -4.247 -6.153 1.00 0.00 C ATOM 706 C VAL A 45 -10.269 -3.304 -5.957 1.00 0.00 C ATOM 707 O VAL A 45 -11.102 -3.515 -5.091 1.00 0.00 O ATOM 708 CB VAL A 45 -7.763 -3.527 -5.841 1.00 0.00 C ATOM 709 CG1 VAL A 45 -7.789 -2.967 -4.413 1.00 0.00 C ATOM 710 CG2 VAL A 45 -6.609 -4.525 -5.965 1.00 0.00 C ATOM 0 H VAL A 45 -8.333 -4.316 -8.153 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.170 -5.098 -5.478 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.630 -2.705 -6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.848 -2.459 -4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.613 -2.260 -4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.925 -3.784 -3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.668 -4.022 -5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.757 -5.342 -5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.579 -4.923 -6.979 1.00 0.00 H new ATOM 720 N LYS A 46 -10.346 -2.280 -6.777 1.00 0.00 N ATOM 721 CA LYS A 46 -11.474 -1.306 -6.690 1.00 0.00 C ATOM 722 C LYS A 46 -12.788 -2.024 -7.015 1.00 0.00 C ATOM 723 O LYS A 46 -13.852 -1.583 -6.609 1.00 0.00 O ATOM 724 CB LYS A 46 -11.252 -0.173 -7.693 1.00 0.00 C ATOM 725 CG LYS A 46 -12.140 1.014 -7.319 1.00 0.00 C ATOM 726 CD LYS A 46 -11.931 2.149 -8.326 1.00 0.00 C ATOM 727 CE LYS A 46 -13.215 2.980 -8.443 1.00 0.00 C ATOM 728 NZ LYS A 46 -13.593 3.113 -9.878 1.00 0.00 N ATOM 0 H LYS A 46 -9.665 -2.079 -7.510 1.00 0.00 H new ATOM 0 HA LYS A 46 -11.521 -0.892 -5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -10.204 0.128 -7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.486 -0.514 -8.702 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -13.187 0.710 -7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.900 1.358 -6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.104 2.783 -8.007 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.662 1.739 -9.299 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.022 2.503 -7.886 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -13.064 3.966 -8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -14.607 3.331 -9.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.042 3.880 -10.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.394 2.220 -10.374 1.00 0.00 H new ATOM 742 N ALA A 47 -12.718 -3.127 -7.743 1.00 0.00 N ATOM 743 CA ALA A 47 -13.955 -3.893 -8.103 1.00 0.00 C ATOM 744 C ALA A 47 -14.673 -4.327 -6.824 1.00 0.00 C ATOM 745 O ALA A 47 -15.891 -4.339 -6.763 1.00 0.00 O ATOM 746 CB ALA A 47 -13.572 -5.133 -8.913 1.00 0.00 C ATOM 0 H ALA A 47 -11.850 -3.525 -8.101 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.614 -3.259 -8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.472 -5.689 -9.174 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.057 -4.828 -9.824 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.914 -5.767 -8.319 1.00 0.00 H new ATOM 752 N LEU A 48 -13.914 -4.677 -5.807 1.00 0.00 N ATOM 753 CA LEU A 48 -14.519 -5.111 -4.508 1.00 0.00 C ATOM 754 C LEU A 48 -15.209 -3.917 -3.845 1.00 0.00 C ATOM 755 O LEU A 48 -16.194 -4.074 -3.143 1.00 0.00 O ATOM 756 CB LEU A 48 -13.418 -5.637 -3.585 1.00 0.00 C ATOM 757 CG LEU A 48 -13.195 -7.124 -3.854 1.00 0.00 C ATOM 758 CD1 LEU A 48 -11.746 -7.492 -3.524 1.00 0.00 C ATOM 759 CD2 LEU A 48 -14.142 -7.946 -2.977 1.00 0.00 C ATOM 0 H LEU A 48 -12.894 -4.679 -5.825 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.249 -5.899 -4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.494 -5.084 -3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.698 -5.483 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.393 -7.337 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.587 -8.553 -3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.071 -6.906 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.547 -7.280 -2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.985 -9.008 -3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -13.943 -7.732 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -15.174 -7.684 -3.211 1.00 0.00 H new ATOM 771 N CYS A 49 -14.685 -2.730 -4.067 1.00 0.00 N ATOM 772 CA CYS A 49 -15.277 -1.494 -3.464 1.00 0.00 C ATOM 773 C CYS A 49 -16.523 -1.051 -4.240 1.00 0.00 C ATOM 774 O CYS A 49 -17.251 -0.184 -3.787 1.00 0.00 O ATOM 775 CB CYS A 49 -14.242 -0.371 -3.507 1.00 0.00 C ATOM 776 SG CYS A 49 -13.145 -0.509 -2.077 1.00 0.00 S ATOM 0 H CYS A 49 -13.863 -2.567 -4.648 1.00 0.00 H new ATOM 0 HA CYS A 49 -15.563 -1.712 -2.435 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -13.664 -0.430 -4.429 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -14.741 0.598 -3.504 1.00 0.00 H new ATOM 781 N ARG A 50 -16.771 -1.630 -5.403 1.00 0.00 N ATOM 782 CA ARG A 50 -17.967 -1.240 -6.215 1.00 0.00 C ATOM 783 C ARG A 50 -19.244 -1.448 -5.387 1.00 0.00 C ATOM 784 O ARG A 50 -19.825 -2.524 -5.380 1.00 0.00 O ATOM 785 CB ARG A 50 -18.019 -2.088 -7.489 1.00 0.00 C ATOM 786 CG ARG A 50 -18.899 -1.391 -8.527 1.00 0.00 C ATOM 787 CD ARG A 50 -18.414 -1.746 -9.933 1.00 0.00 C ATOM 788 NE ARG A 50 -19.450 -1.343 -10.927 1.00 0.00 N ATOM 789 CZ ARG A 50 -19.092 -0.859 -12.086 1.00 0.00 C ATOM 790 NH1 ARG A 50 -18.089 -1.389 -12.733 1.00 0.00 N ATOM 791 NH2 ARG A 50 -19.738 0.152 -12.599 1.00 0.00 N ATOM 0 H ARG A 50 -16.190 -2.358 -5.819 1.00 0.00 H new ATOM 0 HA ARG A 50 -17.893 -0.188 -6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -17.014 -2.231 -7.885 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -18.417 -3.078 -7.264 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -19.938 -1.697 -8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -18.865 -0.311 -8.381 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -17.473 -1.238 -10.145 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -18.222 -2.816 -10.005 1.00 0.00 H new ATOM 0 HE ARG A 50 -20.439 -1.445 -10.701 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.585 -2.181 -12.333 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -17.809 -1.011 -13.638 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -20.523 0.565 -12.095 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.458 0.530 -13.504 1.00 0.00 H new ATOM 805 N GLY A 51 -19.670 -0.417 -4.686 1.00 0.00 N ATOM 806 CA GLY A 51 -20.902 -0.513 -3.841 1.00 0.00 C ATOM 807 C GLY A 51 -20.687 0.221 -2.511 1.00 0.00 C ATOM 808 O GLY A 51 -21.639 0.670 -1.893 1.00 0.00 O ATOM 0 H GLY A 51 -19.210 0.493 -4.666 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -21.751 -0.081 -4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.143 -1.559 -3.653 1.00 0.00 H new ATOM 812 N VAL A 52 -19.448 0.336 -2.070 1.00 0.00 N ATOM 813 CA VAL A 52 -19.154 1.034 -0.775 1.00 0.00 C ATOM 814 C VAL A 52 -19.296 2.552 -0.962 1.00 0.00 C ATOM 815 O VAL A 52 -18.746 3.121 -1.890 1.00 0.00 O ATOM 816 CB VAL A 52 -17.730 0.683 -0.319 1.00 0.00 C ATOM 817 CG1 VAL A 52 -16.702 1.177 -1.348 1.00 0.00 C ATOM 818 CG2 VAL A 52 -17.456 1.333 1.042 1.00 0.00 C ATOM 0 H VAL A 52 -18.628 -0.026 -2.556 1.00 0.00 H new ATOM 0 HA VAL A 52 -19.862 0.708 -0.013 1.00 0.00 H new ATOM 0 HB VAL A 52 -17.642 -0.400 -0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -15.698 0.921 -1.011 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -16.894 0.703 -2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -16.784 2.259 -1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -16.446 1.085 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -17.553 2.415 0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -18.174 0.962 1.774 1.00 0.00 H new ATOM 828 N ILE A 53 -20.031 3.198 -0.078 1.00 0.00 N ATOM 829 CA ILE A 53 -20.233 4.680 -0.172 1.00 0.00 C ATOM 830 C ILE A 53 -19.620 5.359 1.054 1.00 0.00 C ATOM 831 O ILE A 53 -19.031 6.423 0.950 1.00 0.00 O ATOM 832 CB ILE A 53 -21.732 4.987 -0.220 1.00 0.00 C ATOM 833 CG1 ILE A 53 -22.407 4.154 -1.323 1.00 0.00 C ATOM 834 CG2 ILE A 53 -21.948 6.479 -0.492 1.00 0.00 C ATOM 835 CD1 ILE A 53 -21.774 4.453 -2.687 1.00 0.00 C ATOM 0 H ILE A 53 -20.502 2.754 0.710 1.00 0.00 H new ATOM 0 HA ILE A 53 -19.752 5.054 -1.076 1.00 0.00 H new ATOM 0 HB ILE A 53 -22.177 4.729 0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -22.310 3.092 -1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -23.473 4.377 -1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -23.017 6.692 -0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -21.486 7.064 0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -21.496 6.744 -1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -22.264 3.855 -3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -21.894 5.511 -2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -20.713 4.206 -2.658 1.00 0.00 H new ATOM 847 N PHE A 54 -19.756 4.744 2.206 1.00 0.00 N ATOM 848 CA PHE A 54 -19.191 5.322 3.465 1.00 0.00 C ATOM 849 C PHE A 54 -17.899 4.589 3.830 1.00 0.00 C ATOM 850 O PHE A 54 -17.519 3.625 3.184 1.00 0.00 O ATOM 851 CB PHE A 54 -20.204 5.177 4.607 1.00 0.00 C ATOM 852 CG PHE A 54 -20.676 3.746 4.699 1.00 0.00 C ATOM 853 CD1 PHE A 54 -19.930 2.805 5.421 1.00 0.00 C ATOM 854 CD2 PHE A 54 -21.861 3.360 4.063 1.00 0.00 C ATOM 855 CE1 PHE A 54 -20.371 1.479 5.505 1.00 0.00 C ATOM 856 CE2 PHE A 54 -22.301 2.034 4.146 1.00 0.00 C ATOM 857 CZ PHE A 54 -21.556 1.093 4.867 1.00 0.00 C ATOM 0 H PHE A 54 -20.241 3.855 2.327 1.00 0.00 H new ATOM 0 HA PHE A 54 -18.978 6.379 3.309 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -19.748 5.480 5.550 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -21.053 5.839 4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -19.015 3.102 5.912 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -22.437 4.086 3.508 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -19.797 0.753 6.062 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -23.215 1.737 3.654 1.00 0.00 H new ATOM 0 HZ PHE A 54 -21.895 0.070 4.931 1.00 0.00 H new ATOM 867 N SER A 55 -17.226 5.054 4.860 1.00 0.00 N ATOM 868 CA SER A 55 -15.946 4.417 5.298 1.00 0.00 C ATOM 869 C SER A 55 -16.229 3.028 5.873 1.00 0.00 C ATOM 870 O SER A 55 -16.926 2.891 6.863 1.00 0.00 O ATOM 871 CB SER A 55 -15.286 5.287 6.368 1.00 0.00 C ATOM 872 OG SER A 55 -15.245 6.634 5.917 1.00 0.00 O ATOM 0 H SER A 55 -17.515 5.856 5.419 1.00 0.00 H new ATOM 0 HA SER A 55 -15.279 4.322 4.441 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.844 5.221 7.302 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.277 4.929 6.573 1.00 0.00 H new ATOM 0 HG SER A 55 -14.824 7.195 6.601 1.00 0.00 H new ATOM 878 N ALA A 56 -15.681 2.006 5.250 1.00 0.00 N ATOM 879 CA ALA A 56 -15.886 0.604 5.728 1.00 0.00 C ATOM 880 C ALA A 56 -14.559 -0.149 5.637 1.00 0.00 C ATOM 881 O ALA A 56 -13.805 0.037 4.698 1.00 0.00 O ATOM 882 CB ALA A 56 -16.928 -0.092 4.851 1.00 0.00 C ATOM 0 H ALA A 56 -15.094 2.090 4.420 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.237 0.615 6.760 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.075 -1.113 5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.872 0.450 4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.581 -0.110 3.818 1.00 0.00 H new ATOM 888 N ASP A 57 -14.274 -0.996 6.603 1.00 0.00 N ATOM 889 CA ASP A 57 -12.993 -1.768 6.586 1.00 0.00 C ATOM 890 C ASP A 57 -13.250 -3.163 6.017 1.00 0.00 C ATOM 891 O ASP A 57 -14.043 -3.919 6.552 1.00 0.00 O ATOM 892 CB ASP A 57 -12.451 -1.892 8.012 1.00 0.00 C ATOM 893 CG ASP A 57 -11.798 -0.572 8.425 1.00 0.00 C ATOM 894 OD1 ASP A 57 -10.768 -0.241 7.860 1.00 0.00 O ATOM 895 OD2 ASP A 57 -12.339 0.085 9.298 1.00 0.00 O ATOM 0 H ASP A 57 -14.878 -1.184 7.403 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.263 -1.248 5.965 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.259 -2.141 8.699 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.724 -2.703 8.067 1.00 0.00 H new ATOM 900 N VAL A 58 -12.582 -3.497 4.932 1.00 0.00 N ATOM 901 CA VAL A 58 -12.770 -4.839 4.296 1.00 0.00 C ATOM 902 C VAL A 58 -11.448 -5.614 4.323 1.00 0.00 C ATOM 903 O VAL A 58 -10.380 -5.027 4.388 1.00 0.00 O ATOM 904 CB VAL A 58 -13.239 -4.651 2.842 1.00 0.00 C ATOM 905 CG1 VAL A 58 -12.156 -3.930 2.026 1.00 0.00 C ATOM 906 CG2 VAL A 58 -13.521 -6.020 2.215 1.00 0.00 C ATOM 0 H VAL A 58 -11.911 -2.891 4.460 1.00 0.00 H new ATOM 0 HA VAL A 58 -13.522 -5.403 4.848 1.00 0.00 H new ATOM 0 HB VAL A 58 -14.148 -4.050 2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.499 -3.802 0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.959 -2.953 2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.241 -4.522 2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -13.853 -5.887 1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -12.611 -6.621 2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.299 -6.528 2.785 1.00 0.00 H new ATOM 916 N LEU A 59 -11.528 -6.923 4.249 1.00 0.00 N ATOM 917 CA LEU A 59 -10.300 -7.770 4.241 1.00 0.00 C ATOM 918 C LEU A 59 -10.155 -8.390 2.850 1.00 0.00 C ATOM 919 O LEU A 59 -11.136 -8.794 2.248 1.00 0.00 O ATOM 920 CB LEU A 59 -10.429 -8.878 5.290 1.00 0.00 C ATOM 921 CG LEU A 59 -10.308 -8.273 6.690 1.00 0.00 C ATOM 922 CD1 LEU A 59 -11.063 -9.146 7.693 1.00 0.00 C ATOM 923 CD2 LEU A 59 -8.832 -8.203 7.086 1.00 0.00 C ATOM 0 H LEU A 59 -12.404 -7.442 4.193 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.424 -7.165 4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.388 -9.385 5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.653 -9.629 5.139 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.735 -7.270 6.690 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.976 -8.714 8.690 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.115 -9.198 7.411 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.638 -10.150 7.694 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.743 -7.772 8.083 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.407 -9.207 7.085 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.293 -7.580 6.372 1.00 0.00 H new ATOM 935 N SER A 60 -8.942 -8.455 2.335 1.00 0.00 N ATOM 936 CA SER A 60 -8.710 -9.037 0.969 1.00 0.00 C ATOM 937 C SER A 60 -9.332 -10.434 0.883 1.00 0.00 C ATOM 938 O SER A 60 -9.323 -11.183 1.845 1.00 0.00 O ATOM 939 CB SER A 60 -7.209 -9.132 0.702 1.00 0.00 C ATOM 940 OG SER A 60 -6.594 -9.859 1.754 1.00 0.00 O ATOM 0 H SER A 60 -8.099 -8.127 2.807 1.00 0.00 H new ATOM 0 HA SER A 60 -9.174 -8.391 0.223 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.028 -9.626 -0.252 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.776 -8.134 0.632 1.00 0.00 H new ATOM 0 HG SER A 60 -7.239 -10.490 2.136 1.00 0.00 H new ATOM 946 N ASN A 61 -9.871 -10.775 -0.269 1.00 0.00 N ATOM 947 CA ASN A 61 -10.510 -12.116 -0.460 1.00 0.00 C ATOM 948 C ASN A 61 -9.429 -13.198 -0.514 1.00 0.00 C ATOM 949 O ASN A 61 -9.671 -14.338 -0.149 1.00 0.00 O ATOM 950 CB ASN A 61 -11.301 -12.116 -1.774 1.00 0.00 C ATOM 951 CG ASN A 61 -12.790 -11.911 -1.483 1.00 0.00 C ATOM 952 OD1 ASN A 61 -13.410 -11.019 -2.026 1.00 0.00 O ATOM 953 ND2 ASN A 61 -13.391 -12.705 -0.641 1.00 0.00 N ATOM 0 H ASN A 61 -9.894 -10.172 -1.092 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.182 -12.321 0.373 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -10.937 -11.324 -2.428 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.150 -13.059 -2.300 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.382 -12.577 -0.438 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -12.870 -13.454 -0.185 1.00 0.00 H new ATOM 960 N SER A 62 -8.245 -12.845 -0.972 1.00 0.00 N ATOM 961 CA SER A 62 -7.128 -13.838 -1.066 1.00 0.00 C ATOM 962 C SER A 62 -5.787 -13.135 -0.833 1.00 0.00 C ATOM 963 O SER A 62 -5.589 -12.007 -1.252 1.00 0.00 O ATOM 964 CB SER A 62 -7.135 -14.477 -2.454 1.00 0.00 C ATOM 965 OG SER A 62 -8.468 -14.819 -2.806 1.00 0.00 O ATOM 0 H SER A 62 -8.007 -11.904 -1.286 1.00 0.00 H new ATOM 0 HA SER A 62 -7.265 -14.608 -0.307 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.719 -13.786 -3.187 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.505 -15.367 -2.461 1.00 0.00 H new ATOM 0 HG SER A 62 -8.477 -15.228 -3.697 1.00 0.00 H new ATOM 971 N GLU A 63 -4.874 -13.807 -0.164 1.00 0.00 N ATOM 972 CA GLU A 63 -3.527 -13.219 0.127 1.00 0.00 C ATOM 973 C GLU A 63 -2.805 -12.883 -1.183 1.00 0.00 C ATOM 974 O GLU A 63 -2.839 -13.650 -2.131 1.00 0.00 O ATOM 975 CB GLU A 63 -2.695 -14.229 0.925 1.00 0.00 C ATOM 976 CG GLU A 63 -2.578 -15.539 0.140 1.00 0.00 C ATOM 977 CD GLU A 63 -1.756 -16.543 0.949 1.00 0.00 C ATOM 978 OE1 GLU A 63 -0.563 -16.325 1.090 1.00 0.00 O ATOM 979 OE2 GLU A 63 -2.333 -17.513 1.413 1.00 0.00 O ATOM 0 H GLU A 63 -5.010 -14.751 0.197 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.653 -12.305 0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.703 -13.822 1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.161 -14.414 1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.569 -15.944 -0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.104 -15.357 -0.824 1.00 0.00 H new ATOM 986 N PHE A 64 -2.142 -11.746 -1.225 1.00 0.00 N ATOM 987 CA PHE A 64 -1.387 -11.330 -2.456 1.00 0.00 C ATOM 988 C PHE A 64 0.093 -11.189 -2.108 1.00 0.00 C ATOM 989 O PHE A 64 0.475 -11.274 -0.948 1.00 0.00 O ATOM 990 CB PHE A 64 -1.887 -9.971 -2.976 1.00 0.00 C ATOM 991 CG PHE A 64 -3.397 -9.895 -2.907 1.00 0.00 C ATOM 992 CD1 PHE A 64 -4.183 -10.720 -3.721 1.00 0.00 C ATOM 993 CD2 PHE A 64 -4.005 -8.998 -2.024 1.00 0.00 C ATOM 994 CE1 PHE A 64 -5.580 -10.645 -3.651 1.00 0.00 C ATOM 995 CE2 PHE A 64 -5.400 -8.922 -1.955 1.00 0.00 C ATOM 996 CZ PHE A 64 -6.188 -9.745 -2.766 1.00 0.00 C ATOM 0 H PHE A 64 -2.092 -11.083 -0.451 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.541 -12.087 -3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.450 -9.166 -2.385 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.557 -9.826 -4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.712 -11.414 -4.402 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.398 -8.364 -1.395 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.188 -11.280 -4.278 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.869 -8.227 -1.275 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.265 -9.687 -2.710 1.00 0.00 H new ATOM 1006 N TYR A 65 0.915 -10.944 -3.106 1.00 0.00 N ATOM 1007 CA TYR A 65 2.377 -10.757 -2.867 1.00 0.00 C ATOM 1008 C TYR A 65 2.570 -9.359 -2.289 1.00 0.00 C ATOM 1009 O TYR A 65 1.836 -8.447 -2.635 1.00 0.00 O ATOM 1010 CB TYR A 65 3.145 -10.888 -4.185 1.00 0.00 C ATOM 1011 CG TYR A 65 3.368 -12.349 -4.490 1.00 0.00 C ATOM 1012 CD1 TYR A 65 2.415 -13.068 -5.221 1.00 0.00 C ATOM 1013 CD2 TYR A 65 4.529 -12.987 -4.037 1.00 0.00 C ATOM 1014 CE1 TYR A 65 2.623 -14.425 -5.499 1.00 0.00 C ATOM 1015 CE2 TYR A 65 4.737 -14.344 -4.314 1.00 0.00 C ATOM 1016 CZ TYR A 65 3.783 -15.062 -5.045 1.00 0.00 C ATOM 1017 OH TYR A 65 3.988 -16.400 -5.318 1.00 0.00 O ATOM 0 H TYR A 65 0.628 -10.866 -4.082 1.00 0.00 H new ATOM 0 HA TYR A 65 2.753 -11.514 -2.179 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.585 -10.417 -4.993 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.101 -10.369 -4.115 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.519 -12.576 -5.571 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.265 -12.432 -3.474 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.888 -14.979 -6.064 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.632 -14.836 -3.964 1.00 0.00 H new ATOM 0 HH TYR A 65 4.842 -16.685 -4.932 1.00 0.00 H new ATOM 1027 N LEU A 66 3.517 -9.189 -1.392 1.00 0.00 N ATOM 1028 CA LEU A 66 3.720 -7.843 -0.763 1.00 0.00 C ATOM 1029 C LEU A 66 5.177 -7.398 -0.883 1.00 0.00 C ATOM 1030 O LEU A 66 6.074 -8.020 -0.337 1.00 0.00 O ATOM 1031 CB LEU A 66 3.335 -7.893 0.724 1.00 0.00 C ATOM 1032 CG LEU A 66 2.074 -8.745 0.923 1.00 0.00 C ATOM 1033 CD1 LEU A 66 1.757 -8.846 2.414 1.00 0.00 C ATOM 1034 CD2 LEU A 66 0.891 -8.105 0.190 1.00 0.00 C ATOM 0 H LEU A 66 4.153 -9.919 -1.071 1.00 0.00 H new ATOM 0 HA LEU A 66 3.086 -7.129 -1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.158 -8.309 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.161 -6.883 1.095 1.00 0.00 H new ATOM 0 HG LEU A 66 2.248 -9.742 0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.861 -9.451 2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.595 -9.311 2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.588 -7.848 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.000 -8.715 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.715 -7.105 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.115 -8.039 -0.875 1.00 0.00 H new ATOM 1046 N ALA A 67 5.399 -6.300 -1.571 1.00 0.00 N ATOM 1047 CA ALA A 67 6.778 -5.742 -1.729 1.00 0.00 C ATOM 1048 C ALA A 67 6.874 -4.490 -0.860 1.00 0.00 C ATOM 1049 O ALA A 67 6.209 -3.500 -1.126 1.00 0.00 O ATOM 1050 CB ALA A 67 7.025 -5.377 -3.195 1.00 0.00 C ATOM 0 H ALA A 67 4.669 -5.760 -2.036 1.00 0.00 H new ATOM 0 HA ALA A 67 7.525 -6.476 -1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.031 -4.971 -3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.924 -6.269 -3.814 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.296 -4.631 -3.512 1.00 0.00 H new ATOM 1056 N GLU A 68 7.670 -4.536 0.189 1.00 0.00 N ATOM 1057 CA GLU A 68 7.788 -3.355 1.109 1.00 0.00 C ATOM 1058 C GLU A 68 9.173 -2.723 1.018 1.00 0.00 C ATOM 1059 O GLU A 68 10.135 -3.350 0.608 1.00 0.00 O ATOM 1060 CB GLU A 68 7.521 -3.778 2.564 1.00 0.00 C ATOM 1061 CG GLU A 68 8.188 -5.125 2.868 1.00 0.00 C ATOM 1062 CD GLU A 68 7.959 -5.485 4.337 1.00 0.00 C ATOM 1063 OE1 GLU A 68 8.499 -4.795 5.188 1.00 0.00 O ATOM 1064 OE2 GLU A 68 7.247 -6.443 4.587 1.00 0.00 O ATOM 0 H GLU A 68 8.242 -5.341 0.446 1.00 0.00 H new ATOM 0 HA GLU A 68 7.044 -2.621 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.901 -3.016 3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.447 -3.851 2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.776 -5.901 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.256 -5.070 2.658 1.00 0.00 H new ATOM 1071 N CYS A 69 9.254 -1.474 1.416 1.00 0.00 N ATOM 1072 CA CYS A 69 10.543 -0.724 1.395 1.00 0.00 C ATOM 1073 C CYS A 69 11.000 -0.504 2.840 1.00 0.00 C ATOM 1074 O CYS A 69 10.456 0.334 3.541 1.00 0.00 O ATOM 1075 CB CYS A 69 10.325 0.635 0.723 1.00 0.00 C ATOM 1076 SG CYS A 69 10.437 0.450 -1.073 1.00 0.00 S ATOM 0 H CYS A 69 8.460 -0.935 1.762 1.00 0.00 H new ATOM 0 HA CYS A 69 11.296 -1.286 0.843 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.349 1.035 0.997 1.00 0.00 H new ATOM 0 HB3 CYS A 69 11.071 1.348 1.072 1.00 0.00 H new ATOM 1081 N ASN A 70 11.978 -1.263 3.286 1.00 0.00 N ATOM 1082 CA ASN A 70 12.472 -1.129 4.692 1.00 0.00 C ATOM 1083 C ASN A 70 13.749 -0.281 4.724 1.00 0.00 C ATOM 1084 O ASN A 70 14.757 -0.647 4.142 1.00 0.00 O ATOM 1085 CB ASN A 70 12.769 -2.523 5.251 1.00 0.00 C ATOM 1086 CG ASN A 70 11.549 -3.045 6.013 1.00 0.00 C ATOM 1087 OD1 ASN A 70 11.710 -3.581 7.192 1.00 0.00 O flip ATOM 1088 ND2 ASN A 70 10.437 -2.971 5.526 1.00 0.00 N flip ATOM 0 H ASN A 70 12.456 -1.973 2.730 1.00 0.00 H new ATOM 0 HA ASN A 70 11.709 -0.640 5.298 1.00 0.00 H new ATOM 0 HB2 ASN A 70 13.021 -3.205 4.439 1.00 0.00 H new ATOM 0 HB3 ASN A 70 13.634 -2.483 5.914 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.311 -2.552 4.605 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.631 -3.328 6.039 1.00 0.00 H new ATOM 1095 N VAL A 71 13.702 0.844 5.411 1.00 0.00 N ATOM 1096 CA VAL A 71 14.896 1.743 5.516 1.00 0.00 C ATOM 1097 C VAL A 71 15.872 1.156 6.545 1.00 0.00 C ATOM 1098 O VAL A 71 15.527 0.973 7.701 1.00 0.00 O ATOM 1099 CB VAL A 71 14.440 3.145 5.957 1.00 0.00 C ATOM 1100 CG1 VAL A 71 15.650 4.067 6.146 1.00 0.00 C ATOM 1101 CG2 VAL A 71 13.524 3.743 4.887 1.00 0.00 C ATOM 0 H VAL A 71 12.876 1.177 5.907 1.00 0.00 H new ATOM 0 HA VAL A 71 15.394 1.821 4.550 1.00 0.00 H new ATOM 0 HB VAL A 71 13.906 3.056 6.903 1.00 0.00 H new ATOM 0 HG11 VAL A 71 15.310 5.054 6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 71 16.308 3.652 6.910 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.194 4.151 5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.201 4.736 5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.066 3.817 3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 71 12.652 3.102 4.755 1.00 0.00 H new ATOM 1111 N LYS A 72 17.082 0.863 6.118 1.00 0.00 N ATOM 1112 CA LYS A 72 18.108 0.281 7.043 1.00 0.00 C ATOM 1113 C LYS A 72 18.477 1.319 8.123 1.00 0.00 C ATOM 1114 O LYS A 72 18.450 2.504 7.846 1.00 0.00 O ATOM 1115 CB LYS A 72 19.363 -0.084 6.247 1.00 0.00 C ATOM 1116 CG LYS A 72 18.996 -1.033 5.103 1.00 0.00 C ATOM 1117 CD LYS A 72 20.055 -0.938 4.003 1.00 0.00 C ATOM 1118 CE LYS A 72 19.397 -1.171 2.644 1.00 0.00 C ATOM 1119 NZ LYS A 72 20.328 -0.754 1.558 1.00 0.00 N ATOM 0 H LYS A 72 17.403 1.004 5.160 1.00 0.00 H new ATOM 0 HA LYS A 72 17.701 -0.612 7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 72 19.827 0.818 5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 72 20.095 -0.556 6.902 1.00 0.00 H new ATOM 0 HG2 LYS A 72 18.930 -2.057 5.472 1.00 0.00 H new ATOM 0 HG3 LYS A 72 18.016 -0.775 4.702 1.00 0.00 H new ATOM 0 HD2 LYS A 72 20.532 0.042 4.025 1.00 0.00 H new ATOM 0 HD3 LYS A 72 20.838 -1.677 4.172 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.138 -2.224 2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.468 -0.605 2.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 19.783 -0.523 0.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 20.865 0.083 1.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.987 -1.531 1.349 1.00 0.00 H new ATOM 1133 N PRO A 73 18.820 0.852 9.322 1.00 0.00 N ATOM 1134 CA PRO A 73 19.202 1.746 10.437 1.00 0.00 C ATOM 1135 C PRO A 73 20.646 2.231 10.263 1.00 0.00 C ATOM 1136 O PRO A 73 21.499 1.496 9.794 1.00 0.00 O ATOM 1137 CB PRO A 73 19.075 0.857 11.679 1.00 0.00 C ATOM 1138 CG PRO A 73 19.189 -0.604 11.185 1.00 0.00 C ATOM 1139 CD PRO A 73 18.856 -0.589 9.681 1.00 0.00 C ATOM 0 HA PRO A 73 18.583 2.641 10.496 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.859 1.085 12.401 1.00 0.00 H new ATOM 0 HB3 PRO A 73 18.122 1.024 12.180 1.00 0.00 H new ATOM 0 HG2 PRO A 73 20.193 -0.993 11.355 1.00 0.00 H new ATOM 0 HG3 PRO A 73 18.500 -1.251 11.728 1.00 0.00 H new ATOM 0 HD2 PRO A 73 19.609 -1.123 9.102 1.00 0.00 H new ATOM 0 HD3 PRO A 73 17.899 -1.072 9.482 1.00 0.00 H new ATOM 1147 N ARG A 74 20.914 3.467 10.640 1.00 0.00 N ATOM 1148 CA ARG A 74 22.295 4.045 10.512 1.00 0.00 C ATOM 1149 C ARG A 74 22.647 4.208 9.024 1.00 0.00 C ATOM 1150 O ARG A 74 23.810 4.188 8.648 1.00 0.00 O ATOM 1151 CB ARG A 74 23.315 3.114 11.201 1.00 0.00 C ATOM 1152 CG ARG A 74 23.865 3.787 12.464 1.00 0.00 C ATOM 1153 CD ARG A 74 25.210 3.157 12.835 1.00 0.00 C ATOM 1154 NE ARG A 74 25.615 3.609 14.197 1.00 0.00 N ATOM 1155 CZ ARG A 74 24.895 3.279 15.235 1.00 0.00 C ATOM 1156 NH1 ARG A 74 24.823 2.031 15.610 1.00 0.00 N ATOM 1157 NH2 ARG A 74 24.248 4.197 15.899 1.00 0.00 N ATOM 0 H ARG A 74 20.224 4.105 11.036 1.00 0.00 H new ATOM 0 HA ARG A 74 22.327 5.022 10.995 1.00 0.00 H new ATOM 0 HB2 ARG A 74 22.840 2.168 11.460 1.00 0.00 H new ATOM 0 HB3 ARG A 74 24.131 2.884 10.516 1.00 0.00 H new ATOM 0 HG2 ARG A 74 23.987 4.857 12.295 1.00 0.00 H new ATOM 0 HG3 ARG A 74 23.159 3.673 13.286 1.00 0.00 H new ATOM 0 HD2 ARG A 74 25.133 2.070 12.809 1.00 0.00 H new ATOM 0 HD3 ARG A 74 25.969 3.440 12.106 1.00 0.00 H new ATOM 0 HE ARG A 74 26.454 4.176 14.318 1.00 0.00 H new ATOM 0 HH11 ARG A 74 25.329 1.313 15.092 1.00 0.00 H new ATOM 0 HH12 ARG A 74 24.260 1.774 16.421 1.00 0.00 H new ATOM 0 HH21 ARG A 74 24.305 5.173 15.607 1.00 0.00 H new ATOM 0 HH22 ARG A 74 23.686 3.939 16.710 1.00 0.00 H new ATOM 1171 N LYS A 75 21.645 4.383 8.184 1.00 0.00 N ATOM 1172 CA LYS A 75 21.891 4.562 6.717 1.00 0.00 C ATOM 1173 C LYS A 75 21.171 5.839 6.234 1.00 0.00 C ATOM 1174 O LYS A 75 20.093 6.134 6.719 1.00 0.00 O ATOM 1175 CB LYS A 75 21.360 3.343 5.957 1.00 0.00 C ATOM 1176 CG LYS A 75 22.340 2.177 6.119 1.00 0.00 C ATOM 1177 CD LYS A 75 23.354 2.192 4.972 1.00 0.00 C ATOM 1178 CE LYS A 75 24.140 0.878 4.967 1.00 0.00 C ATOM 1179 NZ LYS A 75 24.621 0.582 3.587 1.00 0.00 N ATOM 0 H LYS A 75 20.663 4.409 8.458 1.00 0.00 H new ATOM 0 HA LYS A 75 22.961 4.658 6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.378 3.063 6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 75 21.236 3.584 4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.857 2.254 7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.798 1.232 6.125 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.840 2.324 4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 75 24.035 3.035 5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 75 24.987 0.948 5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.508 0.065 5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.154 -0.311 3.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 23.806 0.497 2.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 25.239 1.353 3.262 1.00 0.00 H new ATOM 1193 N PRO A 76 21.782 6.574 5.304 1.00 0.00 N ATOM 1194 CA PRO A 76 21.194 7.824 4.777 1.00 0.00 C ATOM 1195 C PRO A 76 20.083 7.527 3.757 1.00 0.00 C ATOM 1196 O PRO A 76 20.322 7.438 2.562 1.00 0.00 O ATOM 1197 CB PRO A 76 22.383 8.538 4.121 1.00 0.00 C ATOM 1198 CG PRO A 76 23.430 7.446 3.804 1.00 0.00 C ATOM 1199 CD PRO A 76 23.096 6.238 4.698 1.00 0.00 C ATOM 0 HA PRO A 76 20.720 8.428 5.551 1.00 0.00 H new ATOM 0 HB2 PRO A 76 22.073 9.053 3.212 1.00 0.00 H new ATOM 0 HB3 PRO A 76 22.799 9.292 4.789 1.00 0.00 H new ATOM 0 HG2 PRO A 76 23.393 7.169 2.750 1.00 0.00 H new ATOM 0 HG3 PRO A 76 24.439 7.808 4.004 1.00 0.00 H new ATOM 0 HD2 PRO A 76 23.041 5.318 4.117 1.00 0.00 H new ATOM 0 HD3 PRO A 76 23.858 6.087 5.462 1.00 0.00 H new ATOM 1207 N CYS A 77 18.865 7.386 4.239 1.00 0.00 N ATOM 1208 CA CYS A 77 17.690 7.109 3.349 1.00 0.00 C ATOM 1209 C CYS A 77 17.978 5.920 2.409 1.00 0.00 C ATOM 1210 O CYS A 77 17.610 5.930 1.241 1.00 0.00 O ATOM 1211 CB CYS A 77 17.362 8.371 2.537 1.00 0.00 C ATOM 1212 SG CYS A 77 16.199 9.405 3.469 1.00 0.00 S ATOM 0 H CYS A 77 18.635 7.453 5.230 1.00 0.00 H new ATOM 0 HA CYS A 77 16.832 6.842 3.966 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.275 8.929 2.328 1.00 0.00 H new ATOM 0 HB3 CYS A 77 16.930 8.095 1.575 1.00 0.00 H new ATOM 1217 N LYS A 78 18.601 4.880 2.929 1.00 0.00 N ATOM 1218 CA LYS A 78 18.889 3.665 2.102 1.00 0.00 C ATOM 1219 C LYS A 78 17.762 2.667 2.364 1.00 0.00 C ATOM 1220 O LYS A 78 17.250 2.594 3.471 1.00 0.00 O ATOM 1221 CB LYS A 78 20.243 3.066 2.495 1.00 0.00 C ATOM 1222 CG LYS A 78 21.319 4.160 2.464 1.00 0.00 C ATOM 1223 CD LYS A 78 21.480 4.700 1.036 1.00 0.00 C ATOM 1224 CE LYS A 78 22.093 3.626 0.132 1.00 0.00 C ATOM 1225 NZ LYS A 78 23.272 4.194 -0.585 1.00 0.00 N ATOM 0 H LYS A 78 18.922 4.825 3.896 1.00 0.00 H new ATOM 0 HA LYS A 78 18.939 3.917 1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 78 20.183 2.629 3.492 1.00 0.00 H new ATOM 0 HB3 LYS A 78 20.509 2.261 1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 78 21.044 4.971 3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 78 22.268 3.758 2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 78 20.510 5.006 0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 78 22.115 5.586 1.043 1.00 0.00 H new ATOM 0 HE2 LYS A 78 22.396 2.764 0.727 1.00 0.00 H new ATOM 0 HE3 LYS A 78 21.352 3.273 -0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 23.689 3.466 -1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 22.969 5.003 -1.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 23.981 4.510 0.108 1.00 0.00 H new ATOM 1239 N TYR A 79 17.328 1.956 1.345 1.00 0.00 N ATOM 1240 CA TYR A 79 16.167 1.017 1.516 1.00 0.00 C ATOM 1241 C TYR A 79 16.529 -0.409 1.099 1.00 0.00 C ATOM 1242 O TYR A 79 17.514 -0.646 0.422 1.00 0.00 O ATOM 1243 CB TYR A 79 14.993 1.507 0.658 1.00 0.00 C ATOM 1244 CG TYR A 79 14.940 3.021 0.685 1.00 0.00 C ATOM 1245 CD1 TYR A 79 14.859 3.698 1.908 1.00 0.00 C ATOM 1246 CD2 TYR A 79 15.010 3.742 -0.509 1.00 0.00 C ATOM 1247 CE1 TYR A 79 14.847 5.098 1.934 1.00 0.00 C ATOM 1248 CE2 TYR A 79 14.994 5.140 -0.483 1.00 0.00 C ATOM 1249 CZ TYR A 79 14.913 5.817 0.737 1.00 0.00 C ATOM 1250 OH TYR A 79 14.903 7.194 0.759 1.00 0.00 O ATOM 0 H TYR A 79 17.726 1.985 0.406 1.00 0.00 H new ATOM 0 HA TYR A 79 15.895 1.004 2.571 1.00 0.00 H new ATOM 0 HB2 TYR A 79 15.107 1.155 -0.367 1.00 0.00 H new ATOM 0 HB3 TYR A 79 14.057 1.094 1.034 1.00 0.00 H new ATOM 0 HD1 TYR A 79 14.806 3.140 2.831 1.00 0.00 H new ATOM 0 HD2 TYR A 79 15.076 3.220 -1.452 1.00 0.00 H new ATOM 0 HE1 TYR A 79 14.787 5.621 2.877 1.00 0.00 H new ATOM 0 HE2 TYR A 79 15.044 5.697 -1.407 1.00 0.00 H new ATOM 0 HH TYR A 79 14.846 7.506 1.686 1.00 0.00 H new ATOM 1260 N LYS A 80 15.707 -1.351 1.510 1.00 0.00 N ATOM 1261 CA LYS A 80 15.922 -2.791 1.174 1.00 0.00 C ATOM 1262 C LYS A 80 14.580 -3.388 0.743 1.00 0.00 C ATOM 1263 O LYS A 80 13.598 -3.286 1.460 1.00 0.00 O ATOM 1264 CB LYS A 80 16.443 -3.533 2.410 1.00 0.00 C ATOM 1265 CG LYS A 80 16.721 -4.997 2.060 1.00 0.00 C ATOM 1266 CD LYS A 80 17.821 -5.537 2.977 1.00 0.00 C ATOM 1267 CE LYS A 80 19.195 -5.129 2.431 1.00 0.00 C ATOM 1268 NZ LYS A 80 20.159 -6.260 2.579 1.00 0.00 N ATOM 0 H LYS A 80 14.878 -1.172 2.077 1.00 0.00 H new ATOM 0 HA LYS A 80 16.652 -2.887 0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 80 17.354 -3.058 2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.711 -3.475 3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.813 -5.589 2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.027 -5.082 1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.690 -5.148 3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 80 17.753 -6.623 3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 80 19.110 -4.848 1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 80 19.563 -4.254 2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 21.088 -5.976 2.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 20.251 -6.509 3.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 19.811 -7.084 2.049 1.00 0.00 H new ATOM 1282 N LEU A 81 14.533 -3.989 -0.425 1.00 0.00 N ATOM 1283 CA LEU A 81 13.255 -4.579 -0.930 1.00 0.00 C ATOM 1284 C LEU A 81 12.990 -5.925 -0.252 1.00 0.00 C ATOM 1285 O LEU A 81 13.816 -6.822 -0.291 1.00 0.00 O ATOM 1286 CB LEU A 81 13.351 -4.769 -2.450 1.00 0.00 C ATOM 1287 CG LEU A 81 12.045 -4.329 -3.129 1.00 0.00 C ATOM 1288 CD1 LEU A 81 10.872 -5.160 -2.603 1.00 0.00 C ATOM 1289 CD2 LEU A 81 11.784 -2.845 -2.847 1.00 0.00 C ATOM 0 H LEU A 81 15.331 -4.095 -1.051 1.00 0.00 H new ATOM 0 HA LEU A 81 12.431 -3.904 -0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.186 -4.189 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.553 -5.815 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 81 12.141 -4.483 -4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.951 -4.840 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.048 -6.214 -2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.780 -5.019 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.856 -2.540 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.700 -2.688 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.610 -2.250 -3.237 1.00 0.00 H new ATOM 1301 N LYS A 82 11.831 -6.059 0.359 1.00 0.00 N ATOM 1302 CA LYS A 82 11.458 -7.333 1.048 1.00 0.00 C ATOM 1303 C LYS A 82 10.198 -7.905 0.388 1.00 0.00 C ATOM 1304 O LYS A 82 9.486 -7.196 -0.308 1.00 0.00 O ATOM 1305 CB LYS A 82 11.189 -7.048 2.532 1.00 0.00 C ATOM 1306 CG LYS A 82 11.878 -8.108 3.398 1.00 0.00 C ATOM 1307 CD LYS A 82 12.356 -7.471 4.704 1.00 0.00 C ATOM 1308 CE LYS A 82 13.656 -6.707 4.451 1.00 0.00 C ATOM 1309 NZ LYS A 82 14.145 -6.122 5.731 1.00 0.00 N ATOM 0 H LYS A 82 11.122 -5.327 0.407 1.00 0.00 H new ATOM 0 HA LYS A 82 12.270 -8.055 0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.557 -6.056 2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.116 -7.050 2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.187 -8.924 3.611 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.723 -8.538 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.594 -6.795 5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.515 -8.240 5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.408 -7.376 4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.490 -5.918 3.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.029 -5.602 5.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.429 -5.471 6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.319 -6.884 6.417 1.00 0.00 H new ATOM 1323 N LYS A 83 9.926 -9.178 0.601 1.00 0.00 N ATOM 1324 CA LYS A 83 8.716 -9.821 -0.010 1.00 0.00 C ATOM 1325 C LYS A 83 7.871 -10.490 1.076 1.00 0.00 C ATOM 1326 O LYS A 83 8.375 -10.879 2.117 1.00 0.00 O ATOM 1327 CB LYS A 83 9.151 -10.872 -1.040 1.00 0.00 C ATOM 1328 CG LYS A 83 10.202 -11.806 -0.429 1.00 0.00 C ATOM 1329 CD LYS A 83 10.755 -12.730 -1.517 1.00 0.00 C ATOM 1330 CE LYS A 83 12.230 -13.029 -1.236 1.00 0.00 C ATOM 1331 NZ LYS A 83 12.361 -13.648 0.112 1.00 0.00 N ATOM 0 H LYS A 83 10.496 -9.799 1.175 1.00 0.00 H new ATOM 0 HA LYS A 83 8.121 -9.053 -0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.287 -11.450 -1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.560 -10.380 -1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.010 -11.223 0.013 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.758 -12.396 0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.184 -13.658 -1.545 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.648 -12.261 -2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.628 -13.701 -1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.814 -12.110 -1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.296 -14.095 0.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.258 -12.915 0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.621 -14.368 0.237 1.00 0.00 H new ATOM 1345 N SER A 84 6.585 -10.622 0.824 1.00 0.00 N ATOM 1346 CA SER A 84 5.656 -11.263 1.810 1.00 0.00 C ATOM 1347 C SER A 84 4.406 -11.765 1.080 1.00 0.00 C ATOM 1348 O SER A 84 4.251 -11.546 -0.112 1.00 0.00 O ATOM 1349 CB SER A 84 5.257 -10.238 2.873 1.00 0.00 C ATOM 1350 OG SER A 84 6.056 -10.431 4.031 1.00 0.00 O ATOM 0 H SER A 84 6.137 -10.307 -0.036 1.00 0.00 H new ATOM 0 HA SER A 84 6.155 -12.105 2.290 1.00 0.00 H new ATOM 0 HB2 SER A 84 5.391 -9.227 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.202 -10.347 3.122 1.00 0.00 H new ATOM 0 HG SER A 84 6.976 -10.637 3.763 1.00 0.00 H new ATOM 1356 N SER A 85 3.524 -12.438 1.790 1.00 0.00 N ATOM 1357 CA SER A 85 2.274 -12.970 1.155 1.00 0.00 C ATOM 1358 C SER A 85 1.186 -13.165 2.211 1.00 0.00 C ATOM 1359 O SER A 85 1.279 -14.052 3.044 1.00 0.00 O ATOM 1360 CB SER A 85 2.575 -14.313 0.491 1.00 0.00 C ATOM 1361 OG SER A 85 1.767 -14.453 -0.671 1.00 0.00 O ATOM 0 H SER A 85 3.619 -12.641 2.785 1.00 0.00 H new ATOM 0 HA SER A 85 1.924 -12.256 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.630 -14.371 0.224 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.377 -15.128 1.187 1.00 0.00 H new ATOM 0 HG SER A 85 1.958 -15.313 -1.101 1.00 0.00 H new ATOM 1367 N ASN A 86 0.152 -12.347 2.166 1.00 0.00 N ATOM 1368 CA ASN A 86 -0.973 -12.478 3.152 1.00 0.00 C ATOM 1369 C ASN A 86 -2.111 -11.527 2.779 1.00 0.00 C ATOM 1370 O ASN A 86 -1.995 -10.743 1.850 1.00 0.00 O ATOM 1371 CB ASN A 86 -0.475 -12.157 4.565 1.00 0.00 C ATOM 1372 CG ASN A 86 0.190 -10.781 4.590 1.00 0.00 C ATOM 1373 OD1 ASN A 86 1.398 -10.680 4.665 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -0.551 -9.707 4.534 1.00 0.00 N ATOM 0 H ASN A 86 0.041 -11.594 1.487 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.341 -13.504 3.128 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -1.309 -12.179 5.266 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.235 -12.918 4.890 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.115 -8.785 4.553 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.566 -9.790 4.471 1.00 0.00 H new ATOM 1381 N ARG A 87 -3.208 -11.605 3.504 1.00 0.00 N ATOM 1382 CA ARG A 87 -4.386 -10.722 3.226 1.00 0.00 C ATOM 1383 C ARG A 87 -4.107 -9.311 3.752 1.00 0.00 C ATOM 1384 O ARG A 87 -3.046 -9.047 4.297 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.626 -11.289 3.921 1.00 0.00 C ATOM 1386 CG ARG A 87 -6.082 -12.560 3.199 1.00 0.00 C ATOM 1387 CD ARG A 87 -5.478 -13.785 3.887 1.00 0.00 C ATOM 1388 NE ARG A 87 -6.194 -15.011 3.437 1.00 0.00 N ATOM 1389 CZ ARG A 87 -6.092 -16.116 4.123 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -6.490 -16.154 5.365 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -5.591 -17.185 3.566 1.00 0.00 N ATOM 0 H ARG A 87 -3.335 -12.250 4.284 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.559 -10.680 2.151 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.401 -11.512 4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.427 -10.550 3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.170 -12.625 3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.773 -12.528 2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.417 -13.863 3.649 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.555 -13.682 4.969 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.765 -14.987 2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.882 -15.319 5.801 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.410 -17.019 5.900 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.280 -17.156 2.595 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.511 -18.049 4.102 1.00 0.00 H new ATOM 1405 N ILE A 88 -5.053 -8.406 3.587 1.00 0.00 N ATOM 1406 CA ILE A 88 -4.855 -7.001 4.066 1.00 0.00 C ATOM 1407 C ILE A 88 -6.200 -6.362 4.414 1.00 0.00 C ATOM 1408 O ILE A 88 -7.189 -6.561 3.727 1.00 0.00 O ATOM 1409 CB ILE A 88 -4.172 -6.180 2.969 1.00 0.00 C ATOM 1410 CG1 ILE A 88 -4.924 -6.354 1.648 1.00 0.00 C ATOM 1411 CG2 ILE A 88 -2.730 -6.658 2.799 1.00 0.00 C ATOM 1412 CD1 ILE A 88 -4.414 -5.333 0.632 1.00 0.00 C ATOM 0 H ILE A 88 -5.952 -8.585 3.140 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.230 -7.019 4.959 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.178 -5.127 3.251 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.781 -7.365 1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.994 -6.222 1.807 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.243 -6.074 2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.191 -6.530 3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.726 -7.712 2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.950 -5.457 -0.309 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.580 -4.326 1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.348 -5.487 0.465 1.00 0.00 H new ATOM 1424 N CYS A 89 -6.222 -5.582 5.472 1.00 0.00 N ATOM 1425 CA CYS A 89 -7.473 -4.884 5.901 1.00 0.00 C ATOM 1426 C CYS A 89 -7.386 -3.428 5.442 1.00 0.00 C ATOM 1427 O CYS A 89 -6.461 -2.720 5.807 1.00 0.00 O ATOM 1428 CB CYS A 89 -7.588 -4.942 7.426 1.00 0.00 C ATOM 1429 SG CYS A 89 -9.333 -4.956 7.906 1.00 0.00 S ATOM 0 H CYS A 89 -5.411 -5.399 6.063 1.00 0.00 H new ATOM 0 HA CYS A 89 -8.349 -5.363 5.463 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -7.090 -5.835 7.804 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -7.085 -4.083 7.871 1.00 0.00 H new ATOM 0 HG CYS A 89 -9.426 -5.007 9.202 1.00 0.00 H new ATOM 1434 N ILE A 90 -8.325 -2.991 4.627 1.00 0.00 N ATOM 1435 CA ILE A 90 -8.289 -1.583 4.111 1.00 0.00 C ATOM 1436 C ILE A 90 -9.633 -0.884 4.330 1.00 0.00 C ATOM 1437 O ILE A 90 -10.662 -1.524 4.455 1.00 0.00 O ATOM 1438 CB ILE A 90 -7.969 -1.608 2.615 1.00 0.00 C ATOM 1439 CG1 ILE A 90 -8.990 -2.493 1.891 1.00 0.00 C ATOM 1440 CG2 ILE A 90 -6.564 -2.177 2.404 1.00 0.00 C ATOM 1441 CD1 ILE A 90 -8.758 -2.423 0.377 1.00 0.00 C ATOM 0 H ILE A 90 -9.113 -3.550 4.299 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.522 -1.031 4.654 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.016 -0.595 2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -8.900 -3.524 2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -10.002 -2.165 2.128 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -6.335 -2.195 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.837 -1.551 2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.518 -3.191 2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -9.486 -3.054 -0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.871 -1.393 0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.752 -2.772 0.147 1.00 0.00 H new ATOM 1453 N ARG A 91 -9.615 0.436 4.356 1.00 0.00 N ATOM 1454 CA ARG A 91 -10.868 1.233 4.544 1.00 0.00 C ATOM 1455 C ARG A 91 -11.304 1.766 3.181 1.00 0.00 C ATOM 1456 O ARG A 91 -10.508 2.351 2.464 1.00 0.00 O ATOM 1457 CB ARG A 91 -10.591 2.403 5.495 1.00 0.00 C ATOM 1458 CG ARG A 91 -11.815 2.648 6.385 1.00 0.00 C ATOM 1459 CD ARG A 91 -11.360 2.965 7.812 1.00 0.00 C ATOM 1460 NE ARG A 91 -11.236 4.440 7.982 1.00 0.00 N ATOM 1461 CZ ARG A 91 -11.845 5.033 8.972 1.00 0.00 C ATOM 1462 NH1 ARG A 91 -13.142 4.950 9.081 1.00 0.00 N ATOM 1463 NH2 ARG A 91 -11.157 5.704 9.855 1.00 0.00 N ATOM 0 H ARG A 91 -8.769 0.997 4.253 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.654 0.610 4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.719 2.184 6.112 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.360 3.302 4.923 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -12.405 3.475 5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.459 1.768 6.385 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.076 2.565 8.530 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.403 2.484 8.015 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.676 4.985 7.326 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.679 4.422 8.393 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.619 5.413 9.854 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.142 5.765 9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.634 6.167 10.628 1.00 0.00 H new ATOM 1477 N CYS A 92 -12.547 1.546 2.814 1.00 0.00 N ATOM 1478 CA CYS A 92 -13.044 2.011 1.482 1.00 0.00 C ATOM 1479 C CYS A 92 -14.274 2.906 1.639 1.00 0.00 C ATOM 1480 O CYS A 92 -15.151 2.640 2.445 1.00 0.00 O ATOM 1481 CB CYS A 92 -13.411 0.792 0.636 1.00 0.00 C ATOM 1482 SG CYS A 92 -13.386 1.247 -1.113 1.00 0.00 S ATOM 0 H CYS A 92 -13.240 1.062 3.385 1.00 0.00 H new ATOM 0 HA CYS A 92 -12.258 2.589 0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.707 -0.019 0.822 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -14.400 0.427 0.914 1.00 0.00 H new ATOM 1487 N GLU A 93 -14.339 3.949 0.841 1.00 0.00 N ATOM 1488 CA GLU A 93 -15.501 4.889 0.869 1.00 0.00 C ATOM 1489 C GLU A 93 -15.648 5.516 -0.520 1.00 0.00 C ATOM 1490 O GLU A 93 -14.664 5.737 -1.208 1.00 0.00 O ATOM 1491 CB GLU A 93 -15.272 5.984 1.920 1.00 0.00 C ATOM 1492 CG GLU A 93 -14.012 6.788 1.577 1.00 0.00 C ATOM 1493 CD GLU A 93 -14.408 8.032 0.780 1.00 0.00 C ATOM 1494 OE1 GLU A 93 -15.273 8.757 1.243 1.00 0.00 O ATOM 1495 OE2 GLU A 93 -13.840 8.236 -0.281 1.00 0.00 O ATOM 0 H GLU A 93 -13.619 4.190 0.159 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.410 4.348 1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -16.136 6.647 1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.169 5.535 2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.491 7.077 2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.322 6.175 0.997 1.00 0.00 H new ATOM 1502 N HIS A 94 -16.866 5.786 -0.936 1.00 0.00 N ATOM 1503 CA HIS A 94 -17.110 6.385 -2.288 1.00 0.00 C ATOM 1504 C HIS A 94 -16.505 5.477 -3.372 1.00 0.00 C ATOM 1505 O HIS A 94 -16.233 5.917 -4.477 1.00 0.00 O ATOM 1506 CB HIS A 94 -16.472 7.777 -2.352 1.00 0.00 C ATOM 1507 CG HIS A 94 -17.522 8.826 -2.100 1.00 0.00 C ATOM 1508 ND1 HIS A 94 -18.384 9.258 -3.095 1.00 0.00 N ATOM 1509 CD2 HIS A 94 -17.863 9.534 -0.974 1.00 0.00 C ATOM 1510 CE1 HIS A 94 -19.195 10.186 -2.554 1.00 0.00 C ATOM 1511 NE2 HIS A 94 -18.920 10.392 -1.263 1.00 0.00 N ATOM 0 H HIS A 94 -17.710 5.614 -0.389 1.00 0.00 H new ATOM 0 HA HIS A 94 -18.183 6.475 -2.460 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -15.677 7.858 -1.611 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -16.014 7.934 -3.329 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -17.384 9.439 -0.011 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -19.973 10.701 -3.097 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -19.385 11.039 -0.626 1.00 0.00 H new ATOM 1519 N GLU A 95 -16.320 4.202 -3.059 1.00 0.00 N ATOM 1520 CA GLU A 95 -15.756 3.209 -4.043 1.00 0.00 C ATOM 1521 C GLU A 95 -14.229 3.379 -4.199 1.00 0.00 C ATOM 1522 O GLU A 95 -13.690 3.214 -5.288 1.00 0.00 O ATOM 1523 CB GLU A 95 -16.453 3.367 -5.406 1.00 0.00 C ATOM 1524 CG GLU A 95 -16.246 2.097 -6.231 1.00 0.00 C ATOM 1525 CD GLU A 95 -16.727 2.333 -7.663 1.00 0.00 C ATOM 1526 OE1 GLU A 95 -16.282 3.296 -8.265 1.00 0.00 O ATOM 1527 OE2 GLU A 95 -17.531 1.546 -8.134 1.00 0.00 O ATOM 0 H GLU A 95 -16.542 3.806 -2.146 1.00 0.00 H new ATOM 0 HA GLU A 95 -15.942 2.206 -3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -17.518 3.552 -5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -16.048 4.229 -5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -15.192 1.819 -6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -16.794 1.267 -5.784 1.00 0.00 H new ATOM 1534 N LEU A 96 -13.523 3.671 -3.120 1.00 0.00 N ATOM 1535 CA LEU A 96 -12.028 3.814 -3.208 1.00 0.00 C ATOM 1536 C LEU A 96 -11.378 3.596 -1.822 1.00 0.00 C ATOM 1537 O LEU A 96 -11.897 4.076 -0.829 1.00 0.00 O ATOM 1538 CB LEU A 96 -11.659 5.206 -3.737 1.00 0.00 C ATOM 1539 CG LEU A 96 -12.256 6.296 -2.837 1.00 0.00 C ATOM 1540 CD1 LEU A 96 -11.221 7.400 -2.605 1.00 0.00 C ATOM 1541 CD2 LEU A 96 -13.489 6.897 -3.513 1.00 0.00 C ATOM 0 H LEU A 96 -13.917 3.815 -2.190 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.652 3.057 -3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.575 5.311 -3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.028 5.324 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 96 -12.538 5.856 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.649 8.172 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.340 6.977 -2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.936 7.838 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.913 7.671 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -13.203 7.333 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.231 6.116 -3.678 1.00 0.00 H new ATOM 1553 N PRO A 97 -10.248 2.887 -1.784 1.00 0.00 N ATOM 1554 CA PRO A 97 -9.519 2.626 -0.525 1.00 0.00 C ATOM 1555 C PRO A 97 -8.705 3.864 -0.150 1.00 0.00 C ATOM 1556 O PRO A 97 -7.752 4.213 -0.828 1.00 0.00 O ATOM 1557 CB PRO A 97 -8.606 1.445 -0.864 1.00 0.00 C ATOM 1558 CG PRO A 97 -8.435 1.453 -2.400 1.00 0.00 C ATOM 1559 CD PRO A 97 -9.597 2.279 -2.973 1.00 0.00 C ATOM 0 HA PRO A 97 -10.169 2.406 0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.642 1.544 -0.365 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -9.044 0.506 -0.527 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -7.476 1.889 -2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.451 0.438 -2.796 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.238 3.043 -3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.294 1.651 -3.528 1.00 0.00 H new ATOM 1567 N VAL A 98 -9.099 4.537 0.907 1.00 0.00 N ATOM 1568 CA VAL A 98 -8.389 5.781 1.337 1.00 0.00 C ATOM 1569 C VAL A 98 -7.498 5.521 2.559 1.00 0.00 C ATOM 1570 O VAL A 98 -6.672 6.352 2.899 1.00 0.00 O ATOM 1571 CB VAL A 98 -9.433 6.848 1.675 1.00 0.00 C ATOM 1572 CG1 VAL A 98 -10.277 7.133 0.434 1.00 0.00 C ATOM 1573 CG2 VAL A 98 -10.347 6.348 2.801 1.00 0.00 C ATOM 0 H VAL A 98 -9.890 4.273 1.494 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.747 6.120 0.524 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.926 7.757 2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.023 7.893 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.633 7.492 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.778 6.218 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.087 7.113 3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.855 5.438 2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.750 6.137 3.688 1.00 0.00 H new ATOM 1583 N HIS A 99 -7.665 4.393 3.226 1.00 0.00 N ATOM 1584 CA HIS A 99 -6.830 4.098 4.435 1.00 0.00 C ATOM 1585 C HIS A 99 -6.619 2.594 4.594 1.00 0.00 C ATOM 1586 O HIS A 99 -7.223 1.795 3.898 1.00 0.00 O ATOM 1587 CB HIS A 99 -7.539 4.633 5.680 1.00 0.00 C ATOM 1588 CG HIS A 99 -7.152 6.068 5.897 1.00 0.00 C ATOM 1589 ND1 HIS A 99 -5.920 6.431 6.416 1.00 0.00 N ATOM 1590 CD2 HIS A 99 -7.822 7.243 5.666 1.00 0.00 C ATOM 1591 CE1 HIS A 99 -5.885 7.775 6.478 1.00 0.00 C ATOM 1592 NE2 HIS A 99 -7.022 8.320 6.032 1.00 0.00 N ATOM 0 H HIS A 99 -8.342 3.670 2.982 1.00 0.00 H new ATOM 0 HA HIS A 99 -5.860 4.580 4.312 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.619 4.550 5.560 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.268 4.036 6.551 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -8.820 7.320 5.261 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -5.042 8.343 6.843 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.253 9.312 5.973 1.00 0.00 H new ATOM 1600 N PHE A 100 -5.769 2.221 5.527 1.00 0.00 N ATOM 1601 CA PHE A 100 -5.487 0.777 5.793 1.00 0.00 C ATOM 1602 C PHE A 100 -5.807 0.473 7.260 1.00 0.00 C ATOM 1603 O PHE A 100 -5.238 1.071 8.159 1.00 0.00 O ATOM 1604 CB PHE A 100 -4.013 0.469 5.502 1.00 0.00 C ATOM 1605 CG PHE A 100 -3.120 1.374 6.320 1.00 0.00 C ATOM 1606 CD1 PHE A 100 -2.856 2.679 5.887 1.00 0.00 C ATOM 1607 CD2 PHE A 100 -2.552 0.904 7.510 1.00 0.00 C ATOM 1608 CE1 PHE A 100 -2.026 3.513 6.645 1.00 0.00 C ATOM 1609 CE2 PHE A 100 -1.722 1.737 8.268 1.00 0.00 C ATOM 1610 CZ PHE A 100 -1.459 3.042 7.836 1.00 0.00 C ATOM 0 H PHE A 100 -5.253 2.869 6.122 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.105 0.155 5.146 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -3.799 -0.574 5.736 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.808 0.606 4.440 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.293 3.042 4.968 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -2.755 -0.103 7.843 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.823 4.520 6.311 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.284 1.373 9.186 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.819 3.686 8.421 1.00 0.00 H new ATOM 1620 N ALA A 101 -6.719 -0.448 7.498 1.00 0.00 N ATOM 1621 CA ALA A 101 -7.106 -0.810 8.898 1.00 0.00 C ATOM 1622 C ALA A 101 -5.966 -1.587 9.554 1.00 0.00 C ATOM 1623 O ALA A 101 -5.638 -1.365 10.707 1.00 0.00 O ATOM 1624 CB ALA A 101 -8.364 -1.682 8.873 1.00 0.00 C ATOM 0 H ALA A 101 -7.214 -0.967 6.772 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.305 0.099 9.466 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.645 -1.945 9.893 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.179 -1.132 8.403 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.165 -2.591 8.306 1.00 0.00 H new ATOM 1630 N GLY A 102 -5.371 -2.495 8.813 1.00 0.00 N ATOM 1631 CA GLY A 102 -4.245 -3.315 9.354 1.00 0.00 C ATOM 1632 C GLY A 102 -3.809 -4.338 8.304 1.00 0.00 C ATOM 1633 O GLY A 102 -4.051 -4.161 7.122 1.00 0.00 O ATOM 0 H GLY A 102 -5.623 -2.702 7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.407 -2.671 9.620 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.557 -3.824 10.266 1.00 0.00 H new ATOM 1637 N VAL A 103 -3.158 -5.397 8.737 1.00 0.00 N ATOM 1638 CA VAL A 103 -2.677 -6.450 7.793 1.00 0.00 C ATOM 1639 C VAL A 103 -3.010 -7.842 8.350 1.00 0.00 C ATOM 1640 O VAL A 103 -2.882 -8.083 9.539 1.00 0.00 O ATOM 1641 CB VAL A 103 -1.160 -6.295 7.624 1.00 0.00 C ATOM 1642 CG1 VAL A 103 -0.456 -6.506 8.970 1.00 0.00 C ATOM 1643 CG2 VAL A 103 -0.645 -7.317 6.607 1.00 0.00 C ATOM 0 H VAL A 103 -2.939 -5.574 9.718 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.169 -6.340 6.826 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.945 -5.289 7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.620 -6.394 8.839 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.813 -5.767 9.687 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.674 -7.507 9.342 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.433 -7.203 6.490 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -0.867 -8.324 6.959 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.133 -7.152 5.646 1.00 0.00 H new ATOM 1653 N GLY A 104 -3.419 -8.752 7.488 1.00 0.00 N ATOM 1654 CA GLY A 104 -3.751 -10.142 7.934 1.00 0.00 C ATOM 1655 C GLY A 104 -5.250 -10.263 8.228 1.00 0.00 C ATOM 1656 O GLY A 104 -6.035 -10.564 7.343 1.00 0.00 O ATOM 0 H GLY A 104 -3.536 -8.585 6.489 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.466 -10.857 7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.177 -10.392 8.827 1.00 0.00 H new ATOM 1660 N ILE A 105 -5.639 -10.048 9.469 1.00 0.00 N ATOM 1661 CA ILE A 105 -7.082 -10.164 9.855 1.00 0.00 C ATOM 1662 C ILE A 105 -7.517 -8.927 10.655 1.00 0.00 C ATOM 1663 O ILE A 105 -6.728 -8.327 11.367 1.00 0.00 O ATOM 1664 CB ILE A 105 -7.268 -11.434 10.709 1.00 0.00 C ATOM 1665 CG1 ILE A 105 -8.742 -11.587 11.118 1.00 0.00 C ATOM 1666 CG2 ILE A 105 -6.393 -11.346 11.970 1.00 0.00 C ATOM 1667 CD1 ILE A 105 -9.584 -11.963 9.896 1.00 0.00 C ATOM 0 H ILE A 105 -5.012 -9.796 10.233 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.697 -10.229 8.957 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.970 -12.300 10.119 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -8.838 -12.354 11.887 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.107 -10.655 11.550 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.528 -12.246 12.570 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.346 -11.257 11.681 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.684 -10.473 12.554 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.628 -12.070 10.192 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.499 -11.181 9.141 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -9.225 -12.906 9.483 1.00 0.00 H new