USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 854 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 117 MET CE :methyl 138:sc= -2.49! (180deg=-4.87!) USER MOD Set 1.2: A 121 LYS NZ :NH3+ 172:sc= -0.281 (180deg=-0.0325) USER MOD Set 2.1: A 86 TYR OH : rot -81:sc= 0.891 USER MOD Set 2.2: A 124 SER OG : rot -105:sc= 1.32 USER MOD Set 3.1: A 67 ASN : amide:sc= -1.05! K(o=-0.85!,f=-1.9) USER MOD Set 3.2: A 68 THR OG1 : rot 8:sc= 0.191 USER MOD Set 4.1: A 16 MET CE :methyl -149:sc= -2.92! (180deg=-5.18!) USER MOD Set 4.2: A 19 THR OG1 : rot 86:sc= 1.29 USER MOD Set 4.3: A 51 MET CE :methyl -131:sc= -3.11! (180deg=-5.55!) USER MOD Set 5.1: A 46 SER OG : rot 180:sc= 0.00638 USER MOD Set 5.2: A 50 GLN : amide:sc= 0.00683 K(o=0.013,f=0.66) USER MOD Set 6.1: A 36 GLN : amide:sc= -0.0218 K(o=0.33,f=-5.8!) USER MOD Set 6.2: A 81 SER OG : rot 68:sc= 0.356 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.00145 K(o=0.0015,f=-3.3!) USER MOD Single : A 13 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.076) USER MOD Single : A 17 THR OG1 : rot 134:sc= 0.372 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 1.25 K(o=1.3,f=-0.087) USER MOD Single : A 21 ASN : amide:sc= -0.0235 K(o=-0.023,f=-1.2) USER MOD Single : A 24 GLN : amide:sc= -0.709 K(o=-0.71,f=-1.8!) USER MOD Single : A 27 SER OG : rot 59:sc= 1.44 USER MOD Single : A 29 SER OG : rot -104:sc= 1.36 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -155:sc= -0.154 (180deg=-0.896) USER MOD Single : A 42 MET CE :methyl 135:sc= -0.0529 (180deg=-1.28) USER MOD Single : A 43 MET CE :methyl -113:sc= -0.458 (180deg=-1.59) USER MOD Single : A 48 ASN : amide:sc= -0.664 X(o=-0.66,f=-0.23) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -159:sc= -0.581 (180deg=-0.963) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 61 HIS : no HE2:sc= 0.00188 X(o=0.0019,f=-0.3) USER MOD Single : A 66 MET CE :methyl 155:sc= -0.636 (180deg=-1.8!) USER MOD Single : A 70 MET CE :methyl -166:sc= 0 (180deg=-0.11) USER MOD Single : A 80 THR OG1 : rot 69:sc= 1.02 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 92 THR OG1 : rot 61:sc= 1.27 USER MOD Single : A 100 SER OG : rot 81:sc= 1.09 USER MOD Single : A 101 MET CE :methyl 162:sc= -0.379 (180deg=-0.724) USER MOD Single : A 102 MET CE :methyl -164:sc= -2.48! (180deg=-2.83!) USER MOD Single : A 103 GLN : amide:sc= -0.758 K(o=-0.76,f=-0.1) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 7:sc= 0.916 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot -105:sc= 1.31 USER MOD Single : A 114 ASN : amide:sc=-0.00969 X(o=-0.0097,f=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 122 MET CE :methyl -159:sc= -2.61! (180deg=-3.19) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 8 9.492 8.903 -4.452 1.00 0.00 N ATOM 82 CA ILE A 8 8.657 9.745 -3.605 1.00 0.00 C ATOM 83 C ILE A 8 8.162 10.985 -4.367 1.00 0.00 C ATOM 84 O ILE A 8 7.223 11.659 -3.942 1.00 0.00 O ATOM 85 CB ILE A 8 9.433 10.152 -2.328 1.00 0.00 C ATOM 86 CG1 ILE A 8 8.561 10.990 -1.389 1.00 0.00 C ATOM 87 CG2 ILE A 8 10.705 10.898 -2.693 1.00 0.00 C ATOM 88 CD1 ILE A 8 9.190 11.247 -0.038 1.00 0.00 C ATOM 0 HA ILE A 8 7.779 9.171 -3.310 1.00 0.00 H new ATOM 0 HB ILE A 8 9.707 9.240 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.344 11.946 -1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.607 10.482 -1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 8 11.237 11.176 -1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.340 10.257 -3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.451 11.797 -3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.513 11.846 0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 8 9.381 10.297 0.461 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.130 11.783 -0.170 1.00 0.00 H new ATOM 100 N TRP A 9 8.774 11.253 -5.520 1.00 0.00 N ATOM 101 CA TRP A 9 8.390 12.394 -6.352 1.00 0.00 C ATOM 102 C TRP A 9 7.048 12.147 -7.039 1.00 0.00 C ATOM 103 O TRP A 9 6.479 13.047 -7.647 1.00 0.00 O ATOM 104 CB TRP A 9 9.457 12.675 -7.415 1.00 0.00 C ATOM 105 CG TRP A 9 10.795 13.048 -6.855 1.00 0.00 C ATOM 106 CD1 TRP A 9 11.874 12.227 -6.705 1.00 0.00 C ATOM 107 CD2 TRP A 9 11.203 14.339 -6.384 1.00 0.00 C ATOM 108 NE1 TRP A 9 12.925 12.924 -6.162 1.00 0.00 N ATOM 109 CE2 TRP A 9 12.539 14.223 -5.956 1.00 0.00 C ATOM 110 CE3 TRP A 9 10.565 15.577 -6.273 1.00 0.00 C ATOM 111 CZ2 TRP A 9 13.249 15.301 -5.435 1.00 0.00 C ATOM 112 CZ3 TRP A 9 11.272 16.646 -5.759 1.00 0.00 C ATOM 113 CH2 TRP A 9 12.601 16.502 -5.343 1.00 0.00 C ATOM 0 H TRP A 9 9.539 10.695 -5.900 1.00 0.00 H new ATOM 0 HA TRP A 9 8.298 13.259 -5.696 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.571 11.791 -8.042 1.00 0.00 H new ATOM 0 HB3 TRP A 9 9.108 13.481 -8.061 1.00 0.00 H new ATOM 0 HD1 TRP A 9 11.898 11.181 -6.974 1.00 0.00 H new ATOM 0 HE1 TRP A 9 13.844 12.538 -5.947 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.537 15.696 -6.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 14.275 15.193 -5.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.791 17.610 -5.676 1.00 0.00 H new ATOM 0 HH2 TRP A 9 13.125 17.357 -4.941 1.00 0.00 H new ATOM 124 N THR A 10 6.551 10.920 -6.936 1.00 0.00 N ATOM 125 CA THR A 10 5.299 10.536 -7.570 1.00 0.00 C ATOM 126 C THR A 10 4.092 11.127 -6.826 1.00 0.00 C ATOM 127 O THR A 10 2.978 11.162 -7.351 1.00 0.00 O ATOM 128 CB THR A 10 5.199 8.996 -7.635 1.00 0.00 C ATOM 129 OG1 THR A 10 6.380 8.477 -8.263 1.00 0.00 O ATOM 130 CG2 THR A 10 3.977 8.538 -8.417 1.00 0.00 C ATOM 0 H THR A 10 7.002 10.169 -6.414 1.00 0.00 H new ATOM 0 HA THR A 10 5.287 10.938 -8.583 1.00 0.00 H new ATOM 0 HB THR A 10 5.104 8.621 -6.616 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.325 7.500 -8.306 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.946 7.449 -8.438 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.075 8.918 -7.938 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.034 8.919 -9.437 1.00 0.00 H new ATOM 138 N ASN A 11 4.327 11.613 -5.613 1.00 0.00 N ATOM 139 CA ASN A 11 3.266 12.206 -4.813 1.00 0.00 C ATOM 140 C ASN A 11 3.716 13.543 -4.235 1.00 0.00 C ATOM 141 O ASN A 11 4.618 13.603 -3.394 1.00 0.00 O ATOM 142 CB ASN A 11 2.824 11.251 -3.697 1.00 0.00 C ATOM 143 CG ASN A 11 1.779 11.859 -2.771 1.00 0.00 C ATOM 144 OD1 ASN A 11 1.034 12.767 -3.149 1.00 0.00 O ATOM 145 ND2 ASN A 11 1.695 11.337 -1.560 1.00 0.00 N ATOM 0 H ASN A 11 5.243 11.607 -5.163 1.00 0.00 H new ATOM 0 HA ASN A 11 2.408 12.384 -5.462 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.421 10.342 -4.143 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.695 10.959 -3.110 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.997 11.684 -0.902 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.328 10.587 -1.283 1.00 0.00 H new ATOM 152 N PRO A 12 3.093 14.635 -4.704 1.00 0.00 N ATOM 153 CA PRO A 12 3.387 15.993 -4.239 1.00 0.00 C ATOM 154 C PRO A 12 3.344 16.125 -2.717 1.00 0.00 C ATOM 155 O PRO A 12 4.214 16.757 -2.113 1.00 0.00 O ATOM 156 CB PRO A 12 2.279 16.836 -4.872 1.00 0.00 C ATOM 157 CG PRO A 12 1.867 16.077 -6.083 1.00 0.00 C ATOM 158 CD PRO A 12 2.062 14.622 -5.757 1.00 0.00 C ATOM 0 HA PRO A 12 4.395 16.299 -4.519 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.443 16.969 -4.186 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.639 17.831 -5.133 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.827 16.283 -6.335 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.467 16.366 -6.946 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.138 14.163 -5.407 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.388 14.056 -6.630 1.00 0.00 H new ATOM 166 N ASN A 13 2.351 15.490 -2.097 1.00 0.00 N ATOM 167 CA ASN A 13 2.149 15.593 -0.651 1.00 0.00 C ATOM 168 C ASN A 13 3.043 14.598 0.091 1.00 0.00 C ATOM 169 O ASN A 13 2.808 14.254 1.245 1.00 0.00 O ATOM 170 CB ASN A 13 0.680 15.351 -0.302 1.00 0.00 C ATOM 171 CG ASN A 13 0.296 15.915 1.060 1.00 0.00 C ATOM 172 OD1 ASN A 13 -0.016 17.101 1.186 1.00 0.00 O ATOM 173 ND2 ASN A 13 0.295 15.074 2.083 1.00 0.00 N ATOM 0 H ASN A 13 1.672 14.897 -2.574 1.00 0.00 H new ATOM 0 HA ASN A 13 2.422 16.600 -0.336 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.050 15.803 -1.068 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.480 14.280 -0.316 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.030 15.401 3.012 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.559 14.099 1.942 1.00 0.00 H new ATOM 180 N ALA A 14 4.058 14.119 -0.603 1.00 0.00 N ATOM 181 CA ALA A 14 5.092 13.302 0.009 1.00 0.00 C ATOM 182 C ALA A 14 6.458 13.917 -0.260 1.00 0.00 C ATOM 183 O ALA A 14 7.273 14.087 0.649 1.00 0.00 O ATOM 184 CB ALA A 14 5.036 11.878 -0.522 1.00 0.00 C ATOM 0 H ALA A 14 4.190 14.283 -1.601 1.00 0.00 H new ATOM 0 HA ALA A 14 4.923 13.268 1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.818 11.283 -0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.063 11.443 -0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.187 11.886 -1.602 1.00 0.00 H new ATOM 190 N ALA A 15 6.683 14.273 -1.520 1.00 0.00 N ATOM 191 CA ALA A 15 7.940 14.870 -1.948 1.00 0.00 C ATOM 192 C ALA A 15 8.199 16.188 -1.227 1.00 0.00 C ATOM 193 O ALA A 15 9.309 16.440 -0.762 1.00 0.00 O ATOM 194 CB ALA A 15 7.936 15.081 -3.455 1.00 0.00 C ATOM 0 H ALA A 15 6.001 14.156 -2.270 1.00 0.00 H new ATOM 0 HA ALA A 15 8.746 14.183 -1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.881 15.528 -3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.808 14.122 -3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.115 15.745 -3.727 1.00 0.00 H new ATOM 200 N MET A 16 7.177 17.029 -1.124 1.00 0.00 N ATOM 201 CA MET A 16 7.317 18.289 -0.418 1.00 0.00 C ATOM 202 C MET A 16 7.443 18.083 1.081 1.00 0.00 C ATOM 203 O MET A 16 8.099 18.867 1.765 1.00 0.00 O ATOM 204 CB MET A 16 6.150 19.217 -0.736 1.00 0.00 C ATOM 205 CG MET A 16 6.475 20.252 -1.792 1.00 0.00 C ATOM 206 SD MET A 16 8.105 20.998 -1.576 1.00 0.00 S ATOM 207 CE MET A 16 9.104 19.971 -2.657 1.00 0.00 C ATOM 0 H MET A 16 6.251 16.860 -1.518 1.00 0.00 H new ATOM 0 HA MET A 16 8.239 18.757 -0.764 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.302 18.620 -1.072 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.840 19.725 0.177 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.423 19.787 -2.776 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.718 21.036 -1.769 1.00 0.00 H new ATOM 0 HE1 MET A 16 10.117 19.904 -2.261 1.00 0.00 H new ATOM 0 HE2 MET A 16 8.670 18.973 -2.714 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.132 20.412 -3.654 1.00 0.00 H new ATOM 217 N THR A 17 6.841 17.021 1.586 1.00 0.00 N ATOM 218 CA THR A 17 6.896 16.727 3.005 1.00 0.00 C ATOM 219 C THR A 17 8.337 16.501 3.463 1.00 0.00 C ATOM 220 O THR A 17 8.789 17.104 4.434 1.00 0.00 O ATOM 221 CB THR A 17 6.039 15.497 3.336 1.00 0.00 C ATOM 222 OG1 THR A 17 4.712 15.700 2.846 1.00 0.00 O ATOM 223 CG2 THR A 17 5.999 15.240 4.836 1.00 0.00 C ATOM 0 H THR A 17 6.309 16.348 1.034 1.00 0.00 H new ATOM 0 HA THR A 17 6.496 17.588 3.540 1.00 0.00 H new ATOM 0 HB THR A 17 6.485 14.626 2.856 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.412 14.897 2.372 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.385 14.363 5.039 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.011 15.067 5.203 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.573 16.106 5.342 1.00 0.00 H new ATOM 231 N MET A 18 9.064 15.649 2.741 1.00 0.00 N ATOM 232 CA MET A 18 10.463 15.380 3.069 1.00 0.00 C ATOM 233 C MET A 18 11.308 16.639 2.883 1.00 0.00 C ATOM 234 O MET A 18 12.211 16.915 3.666 1.00 0.00 O ATOM 235 CB MET A 18 11.030 14.244 2.206 1.00 0.00 C ATOM 236 CG MET A 18 11.182 14.611 0.738 1.00 0.00 C ATOM 237 SD MET A 18 12.061 13.369 -0.225 1.00 0.00 S ATOM 238 CE MET A 18 12.144 14.205 -1.806 1.00 0.00 C ATOM 0 H MET A 18 8.711 15.137 1.932 1.00 0.00 H new ATOM 0 HA MET A 18 10.503 15.072 4.114 1.00 0.00 H new ATOM 0 HB2 MET A 18 12.003 13.950 2.601 1.00 0.00 H new ATOM 0 HB3 MET A 18 10.377 13.375 2.289 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.193 14.762 0.305 1.00 0.00 H new ATOM 0 HG3 MET A 18 11.712 15.560 0.662 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.662 13.571 -2.526 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.135 14.410 -2.163 1.00 0.00 H new ATOM 0 HE3 MET A 18 12.686 15.144 -1.693 1.00 0.00 H new ATOM 248 N THR A 19 10.981 17.412 1.853 1.00 0.00 N ATOM 249 CA THR A 19 11.736 18.606 1.508 1.00 0.00 C ATOM 250 C THR A 19 11.625 19.674 2.598 1.00 0.00 C ATOM 251 O THR A 19 12.632 20.213 3.057 1.00 0.00 O ATOM 252 CB THR A 19 11.246 19.182 0.168 1.00 0.00 C ATOM 253 OG1 THR A 19 11.323 18.172 -0.851 1.00 0.00 O ATOM 254 CG2 THR A 19 12.074 20.379 -0.258 1.00 0.00 C ATOM 0 H THR A 19 10.189 17.228 1.238 1.00 0.00 H new ATOM 0 HA THR A 19 12.783 18.317 1.417 1.00 0.00 H new ATOM 0 HB THR A 19 10.214 19.506 0.302 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.505 17.633 -0.839 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.700 20.760 -1.208 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.002 21.159 0.500 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.116 20.079 -0.372 1.00 0.00 H new ATOM 262 N ASN A 20 10.401 19.961 3.025 1.00 0.00 N ATOM 263 CA ASN A 20 10.173 20.982 4.040 1.00 0.00 C ATOM 264 C ASN A 20 10.750 20.555 5.384 1.00 0.00 C ATOM 265 O ASN A 20 11.293 21.375 6.125 1.00 0.00 O ATOM 266 CB ASN A 20 8.679 21.291 4.176 1.00 0.00 C ATOM 267 CG ASN A 20 8.157 22.159 3.044 1.00 0.00 C ATOM 268 OD1 ASN A 20 8.181 23.387 3.124 1.00 0.00 O ATOM 269 ND2 ASN A 20 7.672 21.529 1.985 1.00 0.00 N ATOM 0 H ASN A 20 9.555 19.503 2.686 1.00 0.00 H new ATOM 0 HA ASN A 20 10.686 21.889 3.720 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.119 20.356 4.200 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.501 21.794 5.126 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.301 22.063 1.199 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.669 20.509 1.955 1.00 0.00 H new ATOM 276 N ASN A 21 10.652 19.265 5.693 1.00 0.00 N ATOM 277 CA ASN A 21 11.187 18.746 6.943 1.00 0.00 C ATOM 278 C ASN A 21 12.713 18.767 6.930 1.00 0.00 C ATOM 279 O ASN A 21 13.352 18.962 7.966 1.00 0.00 O ATOM 280 CB ASN A 21 10.673 17.331 7.212 1.00 0.00 C ATOM 281 CG ASN A 21 9.218 17.305 7.638 1.00 0.00 C ATOM 282 OD1 ASN A 21 8.711 18.258 8.231 1.00 0.00 O ATOM 283 ND2 ASN A 21 8.537 16.205 7.349 1.00 0.00 N ATOM 0 H ASN A 21 10.209 18.565 5.097 1.00 0.00 H new ATOM 0 HA ASN A 21 10.842 19.393 7.749 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.794 16.728 6.312 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.283 16.870 7.989 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.557 16.126 7.619 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.993 15.437 6.856 1.00 0.00 H new ATOM 290 N LEU A 22 13.288 18.595 5.747 1.00 0.00 N ATOM 291 CA LEU A 22 14.732 18.698 5.563 1.00 0.00 C ATOM 292 C LEU A 22 15.210 20.081 5.983 1.00 0.00 C ATOM 293 O LEU A 22 16.246 20.229 6.635 1.00 0.00 O ATOM 294 CB LEU A 22 15.093 18.434 4.094 1.00 0.00 C ATOM 295 CG LEU A 22 16.558 18.678 3.709 1.00 0.00 C ATOM 296 CD1 LEU A 22 17.477 17.683 4.401 1.00 0.00 C ATOM 297 CD2 LEU A 22 16.726 18.598 2.199 1.00 0.00 C ATOM 0 H LEU A 22 12.772 18.382 4.893 1.00 0.00 H new ATOM 0 HA LEU A 22 15.226 17.951 6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 22 14.843 17.399 3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.463 19.064 3.466 1.00 0.00 H new ATOM 0 HG LEU A 22 16.836 19.679 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.509 17.878 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.378 17.787 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.203 16.670 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 22 17.770 18.773 1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.426 17.609 1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.102 19.354 1.723 1.00 0.00 H new ATOM 309 N VAL A 23 14.431 21.089 5.623 1.00 0.00 N ATOM 310 CA VAL A 23 14.757 22.464 5.957 1.00 0.00 C ATOM 311 C VAL A 23 14.647 22.705 7.462 1.00 0.00 C ATOM 312 O VAL A 23 15.521 23.333 8.060 1.00 0.00 O ATOM 313 CB VAL A 23 13.844 23.457 5.209 1.00 0.00 C ATOM 314 CG1 VAL A 23 14.220 24.897 5.532 1.00 0.00 C ATOM 315 CG2 VAL A 23 13.911 23.214 3.710 1.00 0.00 C ATOM 0 H VAL A 23 13.564 20.978 5.097 1.00 0.00 H new ATOM 0 HA VAL A 23 15.787 22.633 5.644 1.00 0.00 H new ATOM 0 HB VAL A 23 12.820 23.292 5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.560 25.575 4.991 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.117 25.068 6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.252 25.079 5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.261 23.923 3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 23 14.937 23.347 3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.583 22.198 3.491 1.00 0.00 H new ATOM 325 N GLN A 24 13.585 22.183 8.077 1.00 0.00 N ATOM 326 CA GLN A 24 13.357 22.414 9.505 1.00 0.00 C ATOM 327 C GLN A 24 14.401 21.679 10.344 1.00 0.00 C ATOM 328 O GLN A 24 14.886 22.205 11.346 1.00 0.00 O ATOM 329 CB GLN A 24 11.919 22.032 9.921 1.00 0.00 C ATOM 330 CG GLN A 24 11.578 20.549 9.829 1.00 0.00 C ATOM 331 CD GLN A 24 11.967 19.755 11.066 1.00 0.00 C ATOM 332 OE1 GLN A 24 11.968 20.276 12.183 1.00 0.00 O ATOM 333 NE2 GLN A 24 12.311 18.491 10.870 1.00 0.00 N ATOM 0 H GLN A 24 12.879 21.607 7.619 1.00 0.00 H new ATOM 0 HA GLN A 24 13.468 23.482 9.694 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.758 22.360 10.948 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.220 22.587 9.295 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.506 20.441 9.661 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.081 20.123 8.961 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.296 18.099 9.929 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.590 17.910 11.660 1.00 0.00 H new ATOM 342 N CYS A 25 14.772 20.480 9.910 1.00 0.00 N ATOM 343 CA CYS A 25 15.759 19.683 10.623 1.00 0.00 C ATOM 344 C CYS A 25 17.133 20.346 10.549 1.00 0.00 C ATOM 345 O CYS A 25 17.819 20.491 11.560 1.00 0.00 O ATOM 346 CB CYS A 25 15.816 18.266 10.047 1.00 0.00 C ATOM 347 SG CYS A 25 17.079 17.198 10.813 1.00 0.00 S ATOM 0 H CYS A 25 14.403 20.040 9.067 1.00 0.00 H new ATOM 0 HA CYS A 25 15.463 19.619 11.670 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.839 17.798 10.167 1.00 0.00 H new ATOM 0 HB3 CYS A 25 16.010 18.329 8.976 1.00 0.00 H new ATOM 352 N ALA A 26 17.515 20.786 9.354 1.00 0.00 N ATOM 353 CA ALA A 26 18.803 21.440 9.162 1.00 0.00 C ATOM 354 C ALA A 26 18.848 22.790 9.874 1.00 0.00 C ATOM 355 O ALA A 26 19.911 23.244 10.291 1.00 0.00 O ATOM 356 CB ALA A 26 19.106 21.602 7.681 1.00 0.00 C ATOM 0 H ALA A 26 16.953 20.702 8.507 1.00 0.00 H new ATOM 0 HA ALA A 26 19.571 20.805 9.603 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.072 22.092 7.559 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.134 20.621 7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.330 22.209 7.215 1.00 0.00 H new ATOM 362 N SER A 27 17.687 23.415 10.025 1.00 0.00 N ATOM 363 CA SER A 27 17.586 24.692 10.717 1.00 0.00 C ATOM 364 C SER A 27 17.872 24.522 12.209 1.00 0.00 C ATOM 365 O SER A 27 18.395 25.423 12.860 1.00 0.00 O ATOM 366 CB SER A 27 16.188 25.289 10.516 1.00 0.00 C ATOM 367 OG SER A 27 16.085 26.575 11.104 1.00 0.00 O ATOM 0 H SER A 27 16.799 23.056 9.675 1.00 0.00 H new ATOM 0 HA SER A 27 18.329 25.371 10.298 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.969 25.356 9.450 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.441 24.626 10.954 1.00 0.00 H new ATOM 0 HG SER A 27 16.748 27.173 10.700 1.00 0.00 H new ATOM 373 N ARG A 28 17.543 23.354 12.743 1.00 0.00 N ATOM 374 CA ARG A 28 17.698 23.100 14.170 1.00 0.00 C ATOM 375 C ARG A 28 18.851 22.140 14.426 1.00 0.00 C ATOM 376 O ARG A 28 18.949 21.534 15.496 1.00 0.00 O ATOM 377 CB ARG A 28 16.401 22.536 14.751 1.00 0.00 C ATOM 378 CG ARG A 28 15.188 23.422 14.504 1.00 0.00 C ATOM 379 CD ARG A 28 15.426 24.852 14.970 1.00 0.00 C ATOM 380 NE ARG A 28 15.825 24.923 16.378 1.00 0.00 N ATOM 381 CZ ARG A 28 16.789 25.718 16.843 1.00 0.00 C ATOM 382 NH1 ARG A 28 17.457 26.520 16.019 1.00 0.00 N ATOM 383 NH2 ARG A 28 17.080 25.721 18.137 1.00 0.00 N ATOM 0 H ARG A 28 17.168 22.568 12.212 1.00 0.00 H new ATOM 0 HA ARG A 28 17.924 24.045 14.663 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.216 21.552 14.319 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.525 22.394 15.825 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.949 23.422 13.441 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.324 23.009 15.025 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.200 25.308 14.353 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.517 25.435 14.823 1.00 0.00 H new ATOM 0 HE ARG A 28 15.334 24.327 17.044 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.233 26.530 15.024 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.193 27.125 16.382 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.566 25.115 18.777 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.818 26.329 18.492 1.00 0.00 H new ATOM 397 N SER A 29 19.730 22.021 13.441 1.00 0.00 N ATOM 398 CA SER A 29 20.883 21.137 13.538 1.00 0.00 C ATOM 399 C SER A 29 21.907 21.685 14.523 1.00 0.00 C ATOM 400 O SER A 29 22.502 20.941 15.304 1.00 0.00 O ATOM 401 CB SER A 29 21.533 20.976 12.162 1.00 0.00 C ATOM 402 OG SER A 29 21.950 22.233 11.643 1.00 0.00 O ATOM 0 H SER A 29 19.665 22.530 12.559 1.00 0.00 H new ATOM 0 HA SER A 29 20.539 20.167 13.897 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.391 20.307 12.237 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.826 20.511 11.474 1.00 0.00 H new ATOM 0 HG SER A 29 21.323 22.524 10.949 1.00 0.00 H new ATOM 408 N GLY A 30 22.108 22.995 14.474 1.00 0.00 N ATOM 409 CA GLY A 30 23.117 23.624 15.297 1.00 0.00 C ATOM 410 C GLY A 30 24.479 23.550 14.645 1.00 0.00 C ATOM 411 O GLY A 30 25.498 23.869 15.260 1.00 0.00 O ATOM 0 H GLY A 30 21.586 23.635 13.875 1.00 0.00 H new ATOM 0 HA2 GLY A 30 22.850 24.667 15.471 1.00 0.00 H new ATOM 0 HA3 GLY A 30 23.151 23.137 16.272 1.00 0.00 H new ATOM 415 N VAL A 31 24.488 23.114 13.392 1.00 0.00 N ATOM 416 CA VAL A 31 25.717 22.972 12.631 1.00 0.00 C ATOM 417 C VAL A 31 25.794 24.037 11.539 1.00 0.00 C ATOM 418 O VAL A 31 26.837 24.658 11.337 1.00 0.00 O ATOM 419 CB VAL A 31 25.809 21.571 11.991 1.00 0.00 C ATOM 420 CG1 VAL A 31 27.096 21.420 11.196 1.00 0.00 C ATOM 421 CG2 VAL A 31 25.708 20.484 13.052 1.00 0.00 C ATOM 0 H VAL A 31 23.647 22.851 12.879 1.00 0.00 H new ATOM 0 HA VAL A 31 26.553 23.100 13.319 1.00 0.00 H new ATOM 0 HB VAL A 31 24.969 21.461 11.305 1.00 0.00 H new ATOM 0 HG11 VAL A 31 27.137 20.424 10.755 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.125 22.169 10.404 1.00 0.00 H new ATOM 0 HG13 VAL A 31 27.951 21.559 11.858 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.775 19.505 12.577 1.00 0.00 H new ATOM 0 HG22 VAL A 31 26.522 20.597 13.768 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.754 20.570 13.572 1.00 0.00 H new ATOM 431 N LEU A 32 24.681 24.244 10.843 1.00 0.00 N ATOM 432 CA LEU A 32 24.623 25.234 9.773 1.00 0.00 C ATOM 433 C LEU A 32 24.483 26.630 10.356 1.00 0.00 C ATOM 434 O LEU A 32 24.374 26.801 11.573 1.00 0.00 O ATOM 435 CB LEU A 32 23.436 24.971 8.840 1.00 0.00 C ATOM 436 CG LEU A 32 23.297 23.545 8.311 1.00 0.00 C ATOM 437 CD1 LEU A 32 22.083 23.437 7.410 1.00 0.00 C ATOM 438 CD2 LEU A 32 24.541 23.101 7.562 1.00 0.00 C ATOM 0 H LEU A 32 23.808 23.740 11.000 1.00 0.00 H new ATOM 0 HA LEU A 32 25.549 25.157 9.204 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.520 25.231 9.370 1.00 0.00 H new ATOM 0 HB3 LEU A 32 23.514 25.646 7.988 1.00 0.00 H new ATOM 0 HG LEU A 32 23.170 22.885 9.169 1.00 0.00 H new ATOM 0 HD11 LEU A 32 21.995 22.416 7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 32 21.187 23.697 7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 32 22.193 24.120 6.568 1.00 0.00 H new ATOM 0 HD21 LEU A 32 24.404 22.082 7.201 1.00 0.00 H new ATOM 0 HD22 LEU A 32 24.713 23.766 6.715 1.00 0.00 H new ATOM 0 HD23 LEU A 32 25.401 23.136 8.231 1.00 0.00 H new ATOM 450 N THR A 33 24.459 27.625 9.489 1.00 0.00 N ATOM 451 CA THR A 33 24.271 28.995 9.930 1.00 0.00 C ATOM 452 C THR A 33 22.927 29.518 9.439 1.00 0.00 C ATOM 453 O THR A 33 22.284 28.893 8.590 1.00 0.00 O ATOM 454 CB THR A 33 25.416 29.921 9.457 1.00 0.00 C ATOM 455 OG1 THR A 33 25.270 31.221 10.033 1.00 0.00 O ATOM 456 CG2 THR A 33 25.446 30.043 7.943 1.00 0.00 C ATOM 0 H THR A 33 24.567 27.512 8.481 1.00 0.00 H new ATOM 0 HA THR A 33 24.285 28.997 11.020 1.00 0.00 H new ATOM 0 HB THR A 33 26.355 29.475 9.785 1.00 0.00 H new ATOM 0 HG1 THR A 33 26.001 31.798 9.728 1.00 0.00 H new ATOM 0 HG21 THR A 33 26.263 30.701 7.647 1.00 0.00 H new ATOM 0 HG22 THR A 33 25.596 29.058 7.501 1.00 0.00 H new ATOM 0 HG23 THR A 33 24.501 30.458 7.593 1.00 0.00 H new ATOM 464 N ALA A 34 22.514 30.666 9.958 1.00 0.00 N ATOM 465 CA ALA A 34 21.220 31.243 9.623 1.00 0.00 C ATOM 466 C ALA A 34 21.153 31.603 8.145 1.00 0.00 C ATOM 467 O ALA A 34 20.095 31.525 7.526 1.00 0.00 O ATOM 468 CB ALA A 34 20.944 32.468 10.484 1.00 0.00 C ATOM 0 H ALA A 34 23.061 31.219 10.617 1.00 0.00 H new ATOM 0 HA ALA A 34 20.452 30.497 9.826 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.973 32.887 10.220 1.00 0.00 H new ATOM 0 HB2 ALA A 34 20.942 32.181 11.535 1.00 0.00 H new ATOM 0 HB3 ALA A 34 21.719 33.215 10.313 1.00 0.00 H new ATOM 474 N ASP A 35 22.295 31.963 7.578 1.00 0.00 N ATOM 475 CA ASP A 35 22.357 32.361 6.175 1.00 0.00 C ATOM 476 C ASP A 35 22.210 31.146 5.262 1.00 0.00 C ATOM 477 O ASP A 35 21.609 31.228 4.192 1.00 0.00 O ATOM 478 CB ASP A 35 23.671 33.092 5.892 1.00 0.00 C ATOM 479 CG ASP A 35 23.803 33.522 4.447 1.00 0.00 C ATOM 480 OD1 ASP A 35 23.061 34.430 4.018 1.00 0.00 O ATOM 481 OD2 ASP A 35 24.666 32.964 3.739 1.00 0.00 O ATOM 0 H ASP A 35 23.191 31.989 8.065 1.00 0.00 H new ATOM 0 HA ASP A 35 21.529 33.040 5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 35 23.739 33.969 6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 35 24.506 32.441 6.151 1.00 0.00 H new ATOM 486 N GLN A 36 22.730 30.008 5.714 1.00 0.00 N ATOM 487 CA GLN A 36 22.642 28.762 4.955 1.00 0.00 C ATOM 488 C GLN A 36 21.213 28.234 4.942 1.00 0.00 C ATOM 489 O GLN A 36 20.822 27.480 4.052 1.00 0.00 O ATOM 490 CB GLN A 36 23.578 27.706 5.539 1.00 0.00 C ATOM 491 CG GLN A 36 25.040 27.908 5.173 1.00 0.00 C ATOM 492 CD GLN A 36 25.948 26.935 5.893 1.00 0.00 C ATOM 493 OE1 GLN A 36 25.667 26.529 7.020 1.00 0.00 O ATOM 494 NE2 GLN A 36 27.037 26.547 5.248 1.00 0.00 N ATOM 0 H GLN A 36 23.219 29.922 6.605 1.00 0.00 H new ATOM 0 HA GLN A 36 22.946 28.975 3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 36 23.482 27.710 6.625 1.00 0.00 H new ATOM 0 HB3 GLN A 36 23.260 26.722 5.194 1.00 0.00 H new ATOM 0 HG2 GLN A 36 25.163 27.789 4.097 1.00 0.00 H new ATOM 0 HG3 GLN A 36 25.337 28.928 5.417 1.00 0.00 H new ATOM 0 HE21 GLN A 36 27.233 26.908 4.314 1.00 0.00 H new ATOM 0 HE22 GLN A 36 27.680 25.887 5.685 1.00 0.00 H new ATOM 503 N MET A 37 20.435 28.637 5.938 1.00 0.00 N ATOM 504 CA MET A 37 19.047 28.210 6.041 1.00 0.00 C ATOM 505 C MET A 37 18.204 28.876 4.960 1.00 0.00 C ATOM 506 O MET A 37 17.165 28.351 4.559 1.00 0.00 O ATOM 507 CB MET A 37 18.483 28.533 7.427 1.00 0.00 C ATOM 508 CG MET A 37 19.234 27.875 8.561 1.00 0.00 C ATOM 509 SD MET A 37 18.512 28.262 10.161 1.00 0.00 S ATOM 510 CE MET A 37 19.874 27.809 11.219 1.00 0.00 C ATOM 0 H MET A 37 20.742 29.259 6.686 1.00 0.00 H new ATOM 0 HA MET A 37 19.010 27.130 5.897 1.00 0.00 H new ATOM 0 HB2 MET A 37 18.498 29.613 7.572 1.00 0.00 H new ATOM 0 HB3 MET A 37 17.439 28.221 7.466 1.00 0.00 H new ATOM 0 HG2 MET A 37 19.236 26.795 8.416 1.00 0.00 H new ATOM 0 HG3 MET A 37 20.274 28.201 8.544 1.00 0.00 H new ATOM 0 HE1 MET A 37 19.601 27.985 12.259 1.00 0.00 H new ATOM 0 HE2 MET A 37 20.108 26.754 11.079 1.00 0.00 H new ATOM 0 HE3 MET A 37 20.747 28.411 10.966 1.00 0.00 H new ATOM 520 N ASP A 38 18.666 30.025 4.478 1.00 0.00 N ATOM 521 CA ASP A 38 17.966 30.733 3.414 1.00 0.00 C ATOM 522 C ASP A 38 18.166 30.006 2.092 1.00 0.00 C ATOM 523 O ASP A 38 17.241 29.907 1.285 1.00 0.00 O ATOM 524 CB ASP A 38 18.451 32.178 3.301 1.00 0.00 C ATOM 525 CG ASP A 38 17.621 32.983 2.318 1.00 0.00 C ATOM 526 OD1 ASP A 38 16.519 33.434 2.696 1.00 0.00 O ATOM 527 OD2 ASP A 38 18.061 33.168 1.168 1.00 0.00 O ATOM 0 H ASP A 38 19.517 30.483 4.805 1.00 0.00 H new ATOM 0 HA ASP A 38 16.904 30.754 3.657 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.411 32.651 4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.494 32.186 2.986 1.00 0.00 H new ATOM 532 N ASP A 39 19.372 29.481 1.887 1.00 0.00 N ATOM 533 CA ASP A 39 19.659 28.647 0.721 1.00 0.00 C ATOM 534 C ASP A 39 18.717 27.453 0.709 1.00 0.00 C ATOM 535 O ASP A 39 18.088 27.139 -0.304 1.00 0.00 O ATOM 536 CB ASP A 39 21.107 28.143 0.733 1.00 0.00 C ATOM 537 CG ASP A 39 22.137 29.253 0.669 1.00 0.00 C ATOM 538 OD1 ASP A 39 22.266 29.894 -0.397 1.00 0.00 O ATOM 539 OD2 ASP A 39 22.838 29.475 1.677 1.00 0.00 O ATOM 0 H ASP A 39 20.166 29.618 2.512 1.00 0.00 H new ATOM 0 HA ASP A 39 19.515 29.255 -0.172 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.272 27.558 1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 39 21.256 27.471 -0.112 1.00 0.00 H new ATOM 544 N MET A 40 18.615 26.808 1.866 1.00 0.00 N ATOM 545 CA MET A 40 17.708 25.681 2.057 1.00 0.00 C ATOM 546 C MET A 40 16.276 26.085 1.709 1.00 0.00 C ATOM 547 O MET A 40 15.537 25.325 1.090 1.00 0.00 O ATOM 548 CB MET A 40 17.771 25.199 3.511 1.00 0.00 C ATOM 549 CG MET A 40 19.147 24.715 3.944 1.00 0.00 C ATOM 550 SD MET A 40 19.623 23.158 3.170 1.00 0.00 S ATOM 551 CE MET A 40 18.394 22.057 3.866 1.00 0.00 C ATOM 0 H MET A 40 19.157 27.050 2.696 1.00 0.00 H new ATOM 0 HA MET A 40 18.016 24.871 1.396 1.00 0.00 H new ATOM 0 HB2 MET A 40 17.461 26.013 4.166 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.053 24.390 3.646 1.00 0.00 H new ATOM 0 HG2 MET A 40 19.887 25.477 3.700 1.00 0.00 H new ATOM 0 HG3 MET A 40 19.159 24.594 5.027 1.00 0.00 H new ATOM 0 HE1 MET A 40 18.778 21.037 3.867 1.00 0.00 H new ATOM 0 HE2 MET A 40 18.170 22.361 4.888 1.00 0.00 H new ATOM 0 HE3 MET A 40 17.485 22.102 3.267 1.00 0.00 H new ATOM 561 N GLY A 41 15.901 27.295 2.103 1.00 0.00 N ATOM 562 CA GLY A 41 14.556 27.773 1.858 1.00 0.00 C ATOM 563 C GLY A 41 14.299 28.100 0.400 1.00 0.00 C ATOM 564 O GLY A 41 13.231 27.788 -0.131 1.00 0.00 O ATOM 0 H GLY A 41 16.507 27.955 2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.842 27.017 2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.377 28.663 2.461 1.00 0.00 H new ATOM 568 N MET A 42 15.274 28.724 -0.256 1.00 0.00 N ATOM 569 CA MET A 42 15.095 29.182 -1.633 1.00 0.00 C ATOM 570 C MET A 42 14.998 28.007 -2.604 1.00 0.00 C ATOM 571 O MET A 42 14.258 28.071 -3.585 1.00 0.00 O ATOM 572 CB MET A 42 16.226 30.131 -2.063 1.00 0.00 C ATOM 573 CG MET A 42 17.579 29.460 -2.215 1.00 0.00 C ATOM 574 SD MET A 42 18.869 30.577 -2.800 1.00 0.00 S ATOM 575 CE MET A 42 18.979 31.735 -1.438 1.00 0.00 C ATOM 0 H MET A 42 16.192 28.924 0.140 1.00 0.00 H new ATOM 0 HA MET A 42 14.155 29.733 -1.664 1.00 0.00 H new ATOM 0 HB2 MET A 42 15.955 30.595 -3.011 1.00 0.00 H new ATOM 0 HB3 MET A 42 16.311 30.932 -1.329 1.00 0.00 H new ATOM 0 HG2 MET A 42 17.879 29.041 -1.254 1.00 0.00 H new ATOM 0 HG3 MET A 42 17.487 28.626 -2.911 1.00 0.00 H new ATOM 0 HE1 MET A 42 20.027 31.917 -1.199 1.00 0.00 H new ATOM 0 HE2 MET A 42 18.503 32.674 -1.720 1.00 0.00 H new ATOM 0 HE3 MET A 42 18.474 31.320 -0.566 1.00 0.00 H new ATOM 585 N MET A 43 15.720 26.926 -2.327 1.00 0.00 N ATOM 586 CA MET A 43 15.718 25.787 -3.227 1.00 0.00 C ATOM 587 C MET A 43 14.444 24.982 -3.037 1.00 0.00 C ATOM 588 O MET A 43 13.904 24.420 -3.989 1.00 0.00 O ATOM 589 CB MET A 43 16.969 24.924 -3.013 1.00 0.00 C ATOM 590 CG MET A 43 17.053 24.237 -1.658 1.00 0.00 C ATOM 591 SD MET A 43 16.092 22.715 -1.578 1.00 0.00 S ATOM 592 CE MET A 43 16.198 22.373 0.172 1.00 0.00 C ATOM 0 H MET A 43 16.305 26.818 -1.498 1.00 0.00 H new ATOM 0 HA MET A 43 15.744 26.145 -4.256 1.00 0.00 H new ATOM 0 HB2 MET A 43 17.004 24.163 -3.792 1.00 0.00 H new ATOM 0 HB3 MET A 43 17.851 25.552 -3.140 1.00 0.00 H new ATOM 0 HG2 MET A 43 18.096 24.013 -1.434 1.00 0.00 H new ATOM 0 HG3 MET A 43 16.702 24.923 -0.887 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.785 21.468 0.331 1.00 0.00 H new ATOM 0 HE2 MET A 43 16.678 23.211 0.678 1.00 0.00 H new ATOM 0 HE3 MET A 43 15.196 22.231 0.576 1.00 0.00 H new ATOM 602 N ALA A 44 13.932 24.992 -1.809 1.00 0.00 N ATOM 603 CA ALA A 44 12.714 24.269 -1.476 1.00 0.00 C ATOM 604 C ALA A 44 11.487 24.994 -2.017 1.00 0.00 C ATOM 605 O ALA A 44 10.366 24.502 -1.907 1.00 0.00 O ATOM 606 CB ALA A 44 12.599 24.083 0.028 1.00 0.00 C ATOM 0 H ALA A 44 14.347 25.497 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 44 12.764 23.286 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.682 23.540 0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.457 23.517 0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.576 25.058 0.514 1.00 0.00 H new ATOM 612 N ASP A 45 11.706 26.161 -2.601 1.00 0.00 N ATOM 613 CA ASP A 45 10.638 26.894 -3.263 1.00 0.00 C ATOM 614 C ASP A 45 10.526 26.445 -4.716 1.00 0.00 C ATOM 615 O ASP A 45 9.432 26.202 -5.228 1.00 0.00 O ATOM 616 CB ASP A 45 10.901 28.401 -3.198 1.00 0.00 C ATOM 617 CG ASP A 45 9.787 29.218 -3.825 1.00 0.00 C ATOM 618 OD1 ASP A 45 9.805 29.413 -5.060 1.00 0.00 O ATOM 619 OD2 ASP A 45 8.898 29.685 -3.083 1.00 0.00 O ATOM 0 H ASP A 45 12.615 26.622 -2.630 1.00 0.00 H new ATOM 0 HA ASP A 45 9.700 26.684 -2.750 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.023 28.700 -2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.839 28.624 -3.706 1.00 0.00 H new ATOM 624 N SER A 46 11.675 26.305 -5.365 1.00 0.00 N ATOM 625 CA SER A 46 11.719 25.927 -6.769 1.00 0.00 C ATOM 626 C SER A 46 11.339 24.458 -6.953 1.00 0.00 C ATOM 627 O SER A 46 10.737 24.082 -7.962 1.00 0.00 O ATOM 628 CB SER A 46 13.118 26.186 -7.339 1.00 0.00 C ATOM 629 OG SER A 46 13.154 25.960 -8.739 1.00 0.00 O ATOM 0 H SER A 46 12.590 26.448 -4.939 1.00 0.00 H new ATOM 0 HA SER A 46 10.994 26.536 -7.310 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.415 27.213 -7.126 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.840 25.536 -6.845 1.00 0.00 H new ATOM 0 HG SER A 46 14.058 26.134 -9.075 1.00 0.00 H new ATOM 635 N VAL A 47 11.676 23.633 -5.966 1.00 0.00 N ATOM 636 CA VAL A 47 11.420 22.198 -6.038 1.00 0.00 C ATOM 637 C VAL A 47 9.932 21.888 -6.210 1.00 0.00 C ATOM 638 O VAL A 47 9.563 21.131 -7.101 1.00 0.00 O ATOM 639 CB VAL A 47 11.969 21.456 -4.801 1.00 0.00 C ATOM 640 CG1 VAL A 47 13.486 21.393 -4.835 1.00 0.00 C ATOM 641 CG2 VAL A 47 11.499 22.116 -3.532 1.00 0.00 C ATOM 0 H VAL A 47 12.129 23.935 -5.103 1.00 0.00 H new ATOM 0 HA VAL A 47 11.948 21.839 -6.921 1.00 0.00 H new ATOM 0 HB VAL A 47 11.584 20.436 -4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 47 13.848 20.865 -3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.808 20.864 -5.732 1.00 0.00 H new ATOM 0 HG13 VAL A 47 13.892 22.405 -4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.897 21.577 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.849 23.148 -3.507 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.410 22.101 -3.496 1.00 0.00 H new ATOM 651 N ASN A 48 9.075 22.484 -5.382 1.00 0.00 N ATOM 652 CA ASN A 48 7.646 22.212 -5.456 1.00 0.00 C ATOM 653 C ASN A 48 7.043 22.800 -6.722 1.00 0.00 C ATOM 654 O ASN A 48 6.099 22.245 -7.280 1.00 0.00 O ATOM 655 CB ASN A 48 6.905 22.741 -4.222 1.00 0.00 C ATOM 656 CG ASN A 48 7.064 24.234 -4.008 1.00 0.00 C ATOM 657 OD1 ASN A 48 6.343 25.037 -4.598 1.00 0.00 O ATOM 658 ND2 ASN A 48 7.983 24.610 -3.135 1.00 0.00 N ATOM 0 H ASN A 48 9.345 23.152 -4.660 1.00 0.00 H new ATOM 0 HA ASN A 48 7.527 21.129 -5.483 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.845 22.508 -4.318 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.268 22.216 -3.339 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.115 25.600 -2.928 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.560 23.910 -2.668 1.00 0.00 H new ATOM 665 N SER A 49 7.596 23.913 -7.178 1.00 0.00 N ATOM 666 CA SER A 49 7.130 24.552 -8.399 1.00 0.00 C ATOM 667 C SER A 49 7.346 23.625 -9.596 1.00 0.00 C ATOM 668 O SER A 49 6.479 23.490 -10.460 1.00 0.00 O ATOM 669 CB SER A 49 7.863 25.881 -8.608 1.00 0.00 C ATOM 670 OG SER A 49 7.296 26.622 -9.675 1.00 0.00 O ATOM 0 H SER A 49 8.370 24.394 -6.720 1.00 0.00 H new ATOM 0 HA SER A 49 6.063 24.754 -8.308 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.821 26.470 -7.692 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.916 25.689 -8.815 1.00 0.00 H new ATOM 0 HG SER A 49 7.784 27.465 -9.783 1.00 0.00 H new ATOM 676 N GLN A 50 8.501 22.967 -9.622 1.00 0.00 N ATOM 677 CA GLN A 50 8.832 22.050 -10.703 1.00 0.00 C ATOM 678 C GLN A 50 8.174 20.687 -10.495 1.00 0.00 C ATOM 679 O GLN A 50 7.713 20.063 -11.447 1.00 0.00 O ATOM 680 CB GLN A 50 10.352 21.898 -10.821 1.00 0.00 C ATOM 681 CG GLN A 50 11.051 23.168 -11.283 1.00 0.00 C ATOM 682 CD GLN A 50 12.561 23.029 -11.334 1.00 0.00 C ATOM 683 OE1 GLN A 50 13.123 22.610 -12.346 1.00 0.00 O ATOM 684 NE2 GLN A 50 13.232 23.408 -10.257 1.00 0.00 N ATOM 0 H GLN A 50 9.222 23.053 -8.906 1.00 0.00 H new ATOM 0 HA GLN A 50 8.445 22.469 -11.632 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.756 21.601 -9.853 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.576 21.093 -11.521 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.683 23.439 -12.273 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.789 23.985 -10.611 1.00 0.00 H new ATOM 0 HE21 GLN A 50 12.730 23.750 -9.437 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.251 23.358 -10.247 1.00 0.00 H new ATOM 693 N MET A 51 8.113 20.245 -9.247 1.00 0.00 N ATOM 694 CA MET A 51 7.541 18.942 -8.921 1.00 0.00 C ATOM 695 C MET A 51 6.044 18.893 -9.215 1.00 0.00 C ATOM 696 O MET A 51 5.543 17.894 -9.723 1.00 0.00 O ATOM 697 CB MET A 51 7.816 18.596 -7.453 1.00 0.00 C ATOM 698 CG MET A 51 7.178 17.296 -6.989 1.00 0.00 C ATOM 699 SD MET A 51 5.668 17.559 -6.034 1.00 0.00 S ATOM 700 CE MET A 51 6.325 18.352 -4.570 1.00 0.00 C ATOM 0 H MET A 51 8.453 20.769 -8.441 1.00 0.00 H new ATOM 0 HA MET A 51 8.021 18.198 -9.556 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.894 18.533 -7.302 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.453 19.410 -6.825 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.950 16.678 -7.858 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.894 16.741 -6.382 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.928 17.862 -3.681 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.412 18.275 -4.571 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.036 19.403 -4.565 1.00 0.00 H new ATOM 710 N GLN A 52 5.329 19.974 -8.924 1.00 0.00 N ATOM 711 CA GLN A 52 3.889 19.990 -9.150 1.00 0.00 C ATOM 712 C GLN A 52 3.563 20.023 -10.638 1.00 0.00 C ATOM 713 O GLN A 52 2.522 19.517 -11.059 1.00 0.00 O ATOM 714 CB GLN A 52 3.220 21.166 -8.440 1.00 0.00 C ATOM 715 CG GLN A 52 3.225 21.041 -6.926 1.00 0.00 C ATOM 716 CD GLN A 52 2.368 22.095 -6.255 1.00 0.00 C ATOM 717 OE1 GLN A 52 1.178 21.879 -6.017 1.00 0.00 O ATOM 718 NE2 GLN A 52 2.958 23.239 -5.954 1.00 0.00 N ATOM 0 H GLN A 52 5.714 20.836 -8.538 1.00 0.00 H new ATOM 0 HA GLN A 52 3.492 19.067 -8.728 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.729 22.088 -8.722 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.190 21.251 -8.786 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.865 20.051 -6.645 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.249 21.123 -6.561 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.946 23.375 -6.169 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.426 23.985 -5.507 1.00 0.00 H new ATOM 727 N LYS A 53 4.450 20.602 -11.443 1.00 0.00 N ATOM 728 CA LYS A 53 4.231 20.643 -12.880 1.00 0.00 C ATOM 729 C LYS A 53 4.796 19.392 -13.548 1.00 0.00 C ATOM 730 O LYS A 53 4.696 19.225 -14.766 1.00 0.00 O ATOM 731 CB LYS A 53 4.817 21.916 -13.500 1.00 0.00 C ATOM 732 CG LYS A 53 6.331 21.995 -13.507 1.00 0.00 C ATOM 733 CD LYS A 53 6.785 23.261 -14.212 1.00 0.00 C ATOM 734 CE LYS A 53 8.299 23.381 -14.262 1.00 0.00 C ATOM 735 NZ LYS A 53 8.730 24.599 -14.995 1.00 0.00 N ATOM 0 H LYS A 53 5.314 21.043 -11.128 1.00 0.00 H new ATOM 0 HA LYS A 53 3.155 20.663 -13.054 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.461 21.998 -14.527 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.427 22.777 -12.958 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.708 21.984 -12.484 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.746 21.121 -14.009 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.388 23.271 -15.227 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.371 24.129 -13.699 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.696 23.408 -13.247 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.718 22.498 -14.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.769 24.647 -15.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.373 24.562 -15.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.351 25.443 -14.520 1.00 0.00 H new ATOM 749 N MET A 54 5.387 18.510 -12.740 1.00 0.00 N ATOM 750 CA MET A 54 5.818 17.204 -13.221 1.00 0.00 C ATOM 751 C MET A 54 4.589 16.354 -13.511 1.00 0.00 C ATOM 752 O MET A 54 4.549 15.604 -14.490 1.00 0.00 O ATOM 753 CB MET A 54 6.702 16.488 -12.188 1.00 0.00 C ATOM 754 CG MET A 54 7.159 15.103 -12.633 1.00 0.00 C ATOM 755 SD MET A 54 7.839 14.107 -11.291 1.00 0.00 S ATOM 756 CE MET A 54 9.185 15.142 -10.714 1.00 0.00 C ATOM 0 H MET A 54 5.576 18.679 -11.752 1.00 0.00 H new ATOM 0 HA MET A 54 6.407 17.347 -14.127 1.00 0.00 H new ATOM 0 HB2 MET A 54 7.579 17.103 -11.984 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.151 16.397 -11.252 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.315 14.575 -13.076 1.00 0.00 H new ATOM 0 HG3 MET A 54 7.912 15.210 -13.413 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.906 14.532 -10.170 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.676 15.610 -11.567 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.792 15.915 -10.053 1.00 0.00 H new ATOM 766 N GLY A 55 3.588 16.503 -12.653 1.00 0.00 N ATOM 767 CA GLY A 55 2.358 15.760 -12.800 1.00 0.00 C ATOM 768 C GLY A 55 2.271 14.627 -11.799 1.00 0.00 C ATOM 769 O GLY A 55 3.299 14.122 -11.353 1.00 0.00 O ATOM 0 H GLY A 55 3.610 17.133 -11.851 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.509 16.430 -12.667 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.293 15.359 -13.811 1.00 0.00 H new ATOM 773 N PRO A 56 1.053 14.196 -11.428 1.00 0.00 N ATOM 774 CA PRO A 56 0.855 13.090 -10.481 1.00 0.00 C ATOM 775 C PRO A 56 1.106 11.729 -11.125 1.00 0.00 C ATOM 776 O PRO A 56 0.578 10.704 -10.686 1.00 0.00 O ATOM 777 CB PRO A 56 -0.612 13.239 -10.084 1.00 0.00 C ATOM 778 CG PRO A 56 -1.261 13.855 -11.275 1.00 0.00 C ATOM 779 CD PRO A 56 -0.228 14.761 -11.892 1.00 0.00 C ATOM 0 HA PRO A 56 1.546 13.133 -9.639 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.058 12.274 -9.844 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.722 13.869 -9.202 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.582 13.091 -11.983 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.150 14.416 -10.988 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.295 14.762 -12.980 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.353 15.793 -11.564 1.00 0.00 H new ATOM 787 N ASN A 57 1.936 11.736 -12.153 1.00 0.00 N ATOM 788 CA ASN A 57 2.257 10.546 -12.914 1.00 0.00 C ATOM 789 C ASN A 57 3.522 10.807 -13.724 1.00 0.00 C ATOM 790 O ASN A 57 3.456 11.214 -14.884 1.00 0.00 O ATOM 791 CB ASN A 57 1.088 10.185 -13.829 1.00 0.00 C ATOM 792 CG ASN A 57 0.752 8.707 -13.794 1.00 0.00 C ATOM 793 OD1 ASN A 57 1.231 7.922 -14.611 1.00 0.00 O ATOM 794 ND2 ASN A 57 -0.078 8.320 -12.838 1.00 0.00 N ATOM 0 H ASN A 57 2.409 12.577 -12.484 1.00 0.00 H new ATOM 0 HA ASN A 57 2.431 9.706 -12.242 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.210 10.760 -13.534 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.330 10.474 -14.852 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.343 7.338 -12.759 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.453 9.004 -12.180 1.00 0.00 H new ATOM 801 N PRO A 58 4.690 10.626 -13.094 1.00 0.00 N ATOM 802 CA PRO A 58 5.980 11.001 -13.683 1.00 0.00 C ATOM 803 C PRO A 58 6.348 10.175 -14.913 1.00 0.00 C ATOM 804 O PRO A 58 6.423 8.948 -14.851 1.00 0.00 O ATOM 805 CB PRO A 58 6.978 10.739 -12.555 1.00 0.00 C ATOM 806 CG PRO A 58 6.314 9.738 -11.676 1.00 0.00 C ATOM 807 CD PRO A 58 4.845 10.038 -11.753 1.00 0.00 C ATOM 0 HA PRO A 58 5.965 12.031 -14.038 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.922 10.358 -12.944 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.205 11.654 -12.009 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.524 8.722 -12.012 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.676 9.816 -10.651 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.244 9.136 -11.637 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.534 10.731 -10.971 1.00 0.00 H new ATOM 815 N PRO A 59 6.611 10.851 -16.043 1.00 0.00 N ATOM 816 CA PRO A 59 6.982 10.192 -17.297 1.00 0.00 C ATOM 817 C PRO A 59 8.456 9.780 -17.328 1.00 0.00 C ATOM 818 O PRO A 59 9.161 10.045 -18.302 1.00 0.00 O ATOM 819 CB PRO A 59 6.698 11.270 -18.344 1.00 0.00 C ATOM 820 CG PRO A 59 6.910 12.561 -17.630 1.00 0.00 C ATOM 821 CD PRO A 59 6.546 12.318 -16.188 1.00 0.00 C ATOM 0 HA PRO A 59 6.433 9.264 -17.456 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.367 11.177 -19.199 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.680 11.192 -18.726 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.946 12.888 -17.719 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.290 13.348 -18.059 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.241 12.817 -15.512 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.550 12.698 -15.959 1.00 0.00 H new ATOM 829 N GLN A 60 8.904 9.137 -16.246 1.00 0.00 N ATOM 830 CA GLN A 60 10.260 8.581 -16.134 1.00 0.00 C ATOM 831 C GLN A 60 11.360 9.647 -16.186 1.00 0.00 C ATOM 832 O GLN A 60 11.946 9.982 -15.158 1.00 0.00 O ATOM 833 CB GLN A 60 10.509 7.519 -17.211 1.00 0.00 C ATOM 834 CG GLN A 60 9.690 6.251 -17.021 1.00 0.00 C ATOM 835 CD GLN A 60 10.005 5.192 -18.061 1.00 0.00 C ATOM 836 OE1 GLN A 60 10.362 5.504 -19.196 1.00 0.00 O ATOM 837 NE2 GLN A 60 9.889 3.930 -17.679 1.00 0.00 N ATOM 0 H GLN A 60 8.333 8.985 -15.415 1.00 0.00 H new ATOM 0 HA GLN A 60 10.311 8.119 -15.148 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.281 7.945 -18.188 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.568 7.260 -17.215 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.879 5.846 -16.027 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.629 6.497 -17.068 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.590 3.710 -16.729 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.099 3.177 -18.335 1.00 0.00 H new ATOM 846 N HIS A 61 11.620 10.191 -17.374 1.00 0.00 N ATOM 847 CA HIS A 61 12.778 11.066 -17.606 1.00 0.00 C ATOM 848 C HIS A 61 12.798 12.290 -16.680 1.00 0.00 C ATOM 849 O HIS A 61 13.852 12.871 -16.442 1.00 0.00 O ATOM 850 CB HIS A 61 12.841 11.511 -19.078 1.00 0.00 C ATOM 851 CG HIS A 61 11.739 12.436 -19.505 1.00 0.00 C ATOM 852 ND1 HIS A 61 10.536 11.996 -20.018 1.00 0.00 N ATOM 853 CD2 HIS A 61 11.668 13.788 -19.498 1.00 0.00 C ATOM 854 CE1 HIS A 61 9.775 13.037 -20.302 1.00 0.00 C ATOM 855 NE2 HIS A 61 10.438 14.132 -19.995 1.00 0.00 N ATOM 0 H HIS A 61 11.041 10.042 -18.200 1.00 0.00 H new ATOM 0 HA HIS A 61 13.662 10.474 -17.371 1.00 0.00 H new ATOM 0 HB2 HIS A 61 13.798 12.003 -19.253 1.00 0.00 H new ATOM 0 HB3 HIS A 61 12.818 10.625 -19.712 1.00 0.00 H new ATOM 0 HD1 HIS A 61 10.275 11.020 -20.156 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.437 14.468 -19.163 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.778 12.997 -20.716 1.00 0.00 H new ATOM 863 N ARG A 62 11.643 12.676 -16.152 1.00 0.00 N ATOM 864 CA ARG A 62 11.568 13.827 -15.259 1.00 0.00 C ATOM 865 C ARG A 62 12.113 13.512 -13.870 1.00 0.00 C ATOM 866 O ARG A 62 12.490 14.412 -13.118 1.00 0.00 O ATOM 867 CB ARG A 62 10.155 14.342 -15.171 1.00 0.00 C ATOM 868 CG ARG A 62 9.937 15.480 -16.145 1.00 0.00 C ATOM 869 CD ARG A 62 8.574 16.074 -15.985 1.00 0.00 C ATOM 870 NE ARG A 62 8.377 17.235 -16.852 1.00 0.00 N ATOM 871 CZ ARG A 62 7.210 17.851 -17.041 1.00 0.00 C ATOM 872 NH1 ARG A 62 6.100 17.377 -16.487 1.00 0.00 N ATOM 873 NH2 ARG A 62 7.157 18.938 -17.803 1.00 0.00 N ATOM 0 H ARG A 62 10.751 12.213 -16.325 1.00 0.00 H new ATOM 0 HA ARG A 62 12.199 14.607 -15.685 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.455 13.535 -15.385 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.949 14.682 -14.156 1.00 0.00 H new ATOM 0 HG2 ARG A 62 10.693 16.249 -15.985 1.00 0.00 H new ATOM 0 HG3 ARG A 62 10.061 15.118 -17.166 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.821 15.320 -16.213 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.427 16.368 -14.946 1.00 0.00 H new ATOM 0 HE ARG A 62 9.191 17.600 -17.348 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.136 16.535 -15.912 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.211 17.855 -16.637 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.006 19.297 -18.240 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.267 19.414 -17.951 1.00 0.00 H new ATOM 887 N LEU A 63 12.177 12.230 -13.543 1.00 0.00 N ATOM 888 CA LEU A 63 12.628 11.797 -12.228 1.00 0.00 C ATOM 889 C LEU A 63 14.142 11.881 -12.118 1.00 0.00 C ATOM 890 O LEU A 63 14.676 12.340 -11.104 1.00 0.00 O ATOM 891 CB LEU A 63 12.163 10.368 -11.959 1.00 0.00 C ATOM 892 CG LEU A 63 10.650 10.169 -12.029 1.00 0.00 C ATOM 893 CD1 LEU A 63 10.290 8.707 -11.826 1.00 0.00 C ATOM 894 CD2 LEU A 63 9.958 11.049 -10.997 1.00 0.00 C ATOM 0 H LEU A 63 11.922 11.469 -14.172 1.00 0.00 H new ATOM 0 HA LEU A 63 12.193 12.462 -11.482 1.00 0.00 H new ATOM 0 HB2 LEU A 63 12.638 9.703 -12.681 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.511 10.066 -10.971 1.00 0.00 H new ATOM 0 HG LEU A 63 10.304 10.463 -13.020 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.208 8.588 -11.880 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.760 8.105 -12.604 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.643 8.378 -10.849 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.880 10.899 -11.056 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.308 10.783 -9.999 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.190 12.095 -11.196 1.00 0.00 H new ATOM 906 N ARG A 64 14.831 11.465 -13.177 1.00 0.00 N ATOM 907 CA ARG A 64 16.287 11.467 -13.189 1.00 0.00 C ATOM 908 C ARG A 64 16.832 12.886 -13.242 1.00 0.00 C ATOM 909 O ARG A 64 18.012 13.121 -12.996 1.00 0.00 O ATOM 910 CB ARG A 64 16.827 10.649 -14.350 1.00 0.00 C ATOM 911 CG ARG A 64 16.566 11.230 -15.721 1.00 0.00 C ATOM 912 CD ARG A 64 17.198 10.346 -16.768 1.00 0.00 C ATOM 913 NE ARG A 64 17.079 10.891 -18.120 1.00 0.00 N ATOM 914 CZ ARG A 64 16.331 10.348 -19.082 1.00 0.00 C ATOM 915 NH1 ARG A 64 15.543 9.310 -18.814 1.00 0.00 N ATOM 916 NH2 ARG A 64 16.349 10.863 -20.306 1.00 0.00 N ATOM 0 H ARG A 64 14.403 11.123 -14.037 1.00 0.00 H new ATOM 0 HA ARG A 64 16.623 11.005 -12.261 1.00 0.00 H new ATOM 0 HB2 ARG A 64 17.903 10.531 -14.221 1.00 0.00 H new ATOM 0 HB3 ARG A 64 16.389 9.652 -14.306 1.00 0.00 H new ATOM 0 HG2 ARG A 64 15.493 11.310 -15.896 1.00 0.00 H new ATOM 0 HG3 ARG A 64 16.975 12.238 -15.785 1.00 0.00 H new ATOM 0 HD2 ARG A 64 18.252 10.206 -16.530 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.730 9.362 -16.736 1.00 0.00 H new ATOM 0 HE ARG A 64 17.600 11.739 -18.341 1.00 0.00 H new ATOM 0 HH11 ARG A 64 15.509 8.926 -17.870 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.973 8.898 -19.553 1.00 0.00 H new ATOM 0 HH21 ARG A 64 16.934 11.673 -20.510 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.777 10.448 -21.042 1.00 0.00 H new ATOM 930 N ALA A 65 15.964 13.828 -13.556 1.00 0.00 N ATOM 931 CA ALA A 65 16.348 15.227 -13.603 1.00 0.00 C ATOM 932 C ALA A 65 16.172 15.899 -12.242 1.00 0.00 C ATOM 933 O ALA A 65 17.106 16.504 -11.714 1.00 0.00 O ATOM 934 CB ALA A 65 15.541 15.956 -14.665 1.00 0.00 C ATOM 0 H ALA A 65 14.986 13.650 -13.783 1.00 0.00 H new ATOM 0 HA ALA A 65 17.405 15.279 -13.864 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.837 17.005 -14.691 1.00 0.00 H new ATOM 0 HB2 ALA A 65 15.727 15.502 -15.638 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.479 15.885 -14.428 1.00 0.00 H new ATOM 940 N MET A 66 14.986 15.762 -11.657 1.00 0.00 N ATOM 941 CA MET A 66 14.644 16.510 -10.448 1.00 0.00 C ATOM 942 C MET A 66 15.400 16.032 -9.211 1.00 0.00 C ATOM 943 O MET A 66 15.619 16.818 -8.286 1.00 0.00 O ATOM 944 CB MET A 66 13.144 16.476 -10.178 1.00 0.00 C ATOM 945 CG MET A 66 12.345 17.385 -11.098 1.00 0.00 C ATOM 946 SD MET A 66 10.823 17.977 -10.335 1.00 0.00 S ATOM 947 CE MET A 66 11.471 18.866 -8.919 1.00 0.00 C ATOM 0 H MET A 66 14.249 15.144 -11.996 1.00 0.00 H new ATOM 0 HA MET A 66 14.953 17.537 -10.643 1.00 0.00 H new ATOM 0 HB2 MET A 66 12.785 15.453 -10.289 1.00 0.00 H new ATOM 0 HB3 MET A 66 12.962 16.767 -9.144 1.00 0.00 H new ATOM 0 HG2 MET A 66 12.960 18.238 -11.383 1.00 0.00 H new ATOM 0 HG3 MET A 66 12.102 16.846 -12.014 1.00 0.00 H new ATOM 0 HE1 MET A 66 10.757 19.630 -8.612 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.634 18.170 -8.096 1.00 0.00 H new ATOM 0 HE3 MET A 66 12.416 19.339 -9.187 1.00 0.00 H new ATOM 957 N ASN A 67 15.804 14.764 -9.172 1.00 0.00 N ATOM 958 CA ASN A 67 16.559 14.267 -8.021 1.00 0.00 C ATOM 959 C ASN A 67 17.889 15.004 -7.920 1.00 0.00 C ATOM 960 O ASN A 67 18.337 15.359 -6.830 1.00 0.00 O ATOM 961 CB ASN A 67 16.795 12.748 -8.093 1.00 0.00 C ATOM 962 CG ASN A 67 17.785 12.333 -9.171 1.00 0.00 C ATOM 963 OD1 ASN A 67 18.999 12.389 -8.977 1.00 0.00 O ATOM 964 ND2 ASN A 67 17.278 11.883 -10.302 1.00 0.00 N ATOM 0 H ASN A 67 15.628 14.076 -9.904 1.00 0.00 H new ATOM 0 HA ASN A 67 15.965 14.458 -7.127 1.00 0.00 H new ATOM 0 HB2 ASN A 67 17.157 12.399 -7.126 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.843 12.250 -8.275 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.897 11.568 -11.049 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.267 11.850 -10.430 1.00 0.00 H new ATOM 971 N THR A 68 18.491 15.269 -9.070 1.00 0.00 N ATOM 972 CA THR A 68 19.767 15.951 -9.126 1.00 0.00 C ATOM 973 C THR A 68 19.587 17.444 -8.868 1.00 0.00 C ATOM 974 O THR A 68 20.477 18.102 -8.336 1.00 0.00 O ATOM 975 CB THR A 68 20.440 15.726 -10.492 1.00 0.00 C ATOM 976 OG1 THR A 68 20.500 14.320 -10.769 1.00 0.00 O ATOM 977 CG2 THR A 68 21.846 16.310 -10.524 1.00 0.00 C ATOM 0 H THR A 68 18.109 15.018 -9.982 1.00 0.00 H new ATOM 0 HA THR A 68 20.410 15.538 -8.349 1.00 0.00 H new ATOM 0 HB THR A 68 19.845 16.234 -11.251 1.00 0.00 H new ATOM 0 HG1 THR A 68 19.995 13.830 -10.087 1.00 0.00 H new ATOM 0 HG21 THR A 68 22.291 16.133 -11.503 1.00 0.00 H new ATOM 0 HG22 THR A 68 21.799 17.383 -10.335 1.00 0.00 H new ATOM 0 HG23 THR A 68 22.456 15.833 -9.757 1.00 0.00 H new ATOM 985 N ALA A 69 18.420 17.967 -9.228 1.00 0.00 N ATOM 986 CA ALA A 69 18.117 19.376 -9.024 1.00 0.00 C ATOM 987 C ALA A 69 18.212 19.749 -7.548 1.00 0.00 C ATOM 988 O ALA A 69 18.934 20.673 -7.182 1.00 0.00 O ATOM 989 CB ALA A 69 16.734 19.706 -9.571 1.00 0.00 C ATOM 0 H ALA A 69 17.668 17.434 -9.664 1.00 0.00 H new ATOM 0 HA ALA A 69 18.857 19.964 -9.567 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.522 20.763 -9.411 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.703 19.487 -10.638 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.986 19.104 -9.056 1.00 0.00 H new ATOM 995 N MET A 70 17.502 19.015 -6.702 1.00 0.00 N ATOM 996 CA MET A 70 17.499 19.299 -5.273 1.00 0.00 C ATOM 997 C MET A 70 18.865 18.994 -4.669 1.00 0.00 C ATOM 998 O MET A 70 19.408 19.783 -3.896 1.00 0.00 O ATOM 999 CB MET A 70 16.402 18.484 -4.579 1.00 0.00 C ATOM 1000 CG MET A 70 16.204 18.847 -3.113 1.00 0.00 C ATOM 1001 SD MET A 70 17.174 17.824 -1.985 1.00 0.00 S ATOM 1002 CE MET A 70 16.266 16.280 -2.051 1.00 0.00 C ATOM 0 H MET A 70 16.923 18.222 -6.978 1.00 0.00 H new ATOM 0 HA MET A 70 17.290 20.358 -5.122 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.462 18.630 -5.111 1.00 0.00 H new ATOM 0 HB3 MET A 70 16.648 17.425 -4.652 1.00 0.00 H new ATOM 0 HG2 MET A 70 16.473 19.893 -2.966 1.00 0.00 H new ATOM 0 HG3 MET A 70 15.148 18.751 -2.862 1.00 0.00 H new ATOM 0 HE1 MET A 70 16.585 15.635 -1.232 1.00 0.00 H new ATOM 0 HE2 MET A 70 15.199 16.481 -1.959 1.00 0.00 H new ATOM 0 HE3 MET A 70 16.461 15.783 -3.001 1.00 0.00 H new ATOM 1012 N ALA A 71 19.422 17.857 -5.063 1.00 0.00 N ATOM 1013 CA ALA A 71 20.720 17.412 -4.564 1.00 0.00 C ATOM 1014 C ALA A 71 21.819 18.432 -4.861 1.00 0.00 C ATOM 1015 O ALA A 71 22.734 18.621 -4.061 1.00 0.00 O ATOM 1016 CB ALA A 71 21.077 16.070 -5.180 1.00 0.00 C ATOM 0 H ALA A 71 18.992 17.219 -5.733 1.00 0.00 H new ATOM 0 HA ALA A 71 20.645 17.310 -3.481 1.00 0.00 H new ATOM 0 HB1 ALA A 71 22.046 15.743 -4.804 1.00 0.00 H new ATOM 0 HB2 ALA A 71 20.318 15.334 -4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 71 21.123 16.168 -6.265 1.00 0.00 H new ATOM 1022 N ALA A 72 21.722 19.088 -6.012 1.00 0.00 N ATOM 1023 CA ALA A 72 22.730 20.059 -6.425 1.00 0.00 C ATOM 1024 C ALA A 72 22.612 21.355 -5.638 1.00 0.00 C ATOM 1025 O ALA A 72 23.616 22.002 -5.346 1.00 0.00 O ATOM 1026 CB ALA A 72 22.620 20.347 -7.914 1.00 0.00 C ATOM 0 H ALA A 72 20.957 18.966 -6.675 1.00 0.00 H new ATOM 0 HA ALA A 72 23.707 19.622 -6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 72 23.380 21.073 -8.201 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.769 19.424 -8.475 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.632 20.750 -8.135 1.00 0.00 H new ATOM 1032 N GLU A 73 21.392 21.731 -5.286 1.00 0.00 N ATOM 1033 CA GLU A 73 21.165 22.997 -4.604 1.00 0.00 C ATOM 1034 C GLU A 73 21.573 22.909 -3.140 1.00 0.00 C ATOM 1035 O GLU A 73 22.104 23.867 -2.577 1.00 0.00 O ATOM 1036 CB GLU A 73 19.704 23.424 -4.730 1.00 0.00 C ATOM 1037 CG GLU A 73 19.247 23.588 -6.170 1.00 0.00 C ATOM 1038 CD GLU A 73 20.184 24.452 -6.996 1.00 0.00 C ATOM 1039 OE1 GLU A 73 21.179 23.918 -7.532 1.00 0.00 O ATOM 1040 OE2 GLU A 73 19.925 25.665 -7.134 1.00 0.00 O ATOM 0 H GLU A 73 20.549 21.183 -5.459 1.00 0.00 H new ATOM 0 HA GLU A 73 21.787 23.753 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 73 19.073 22.684 -4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.561 24.367 -4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 73 19.165 22.605 -6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.250 24.029 -6.181 1.00 0.00 H new ATOM 1047 N VAL A 74 21.342 21.756 -2.525 1.00 0.00 N ATOM 1048 CA VAL A 74 21.739 21.550 -1.135 1.00 0.00 C ATOM 1049 C VAL A 74 23.232 21.265 -1.032 1.00 0.00 C ATOM 1050 O VAL A 74 23.825 21.372 0.038 1.00 0.00 O ATOM 1051 CB VAL A 74 20.955 20.403 -0.468 1.00 0.00 C ATOM 1052 CG1 VAL A 74 19.487 20.770 -0.333 1.00 0.00 C ATOM 1053 CG2 VAL A 74 21.108 19.108 -1.246 1.00 0.00 C ATOM 0 H VAL A 74 20.886 20.954 -2.961 1.00 0.00 H new ATOM 0 HA VAL A 74 21.506 22.474 -0.607 1.00 0.00 H new ATOM 0 HB VAL A 74 21.370 20.248 0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.949 19.949 0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.391 21.667 0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 74 19.067 20.958 -1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 74 20.544 18.317 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 74 20.729 19.245 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 74 22.161 18.831 -1.287 1.00 0.00 H new ATOM 1063 N ALA A 75 23.832 20.901 -2.152 1.00 0.00 N ATOM 1064 CA ALA A 75 25.266 20.655 -2.212 1.00 0.00 C ATOM 1065 C ALA A 75 26.054 21.946 -2.021 1.00 0.00 C ATOM 1066 O ALA A 75 27.160 21.936 -1.481 1.00 0.00 O ATOM 1067 CB ALA A 75 25.642 20.010 -3.534 1.00 0.00 C ATOM 0 H ALA A 75 23.346 20.768 -3.039 1.00 0.00 H new ATOM 0 HA ALA A 75 25.520 19.974 -1.400 1.00 0.00 H new ATOM 0 HB1 ALA A 75 26.717 19.834 -3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.116 19.061 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.363 20.672 -4.354 1.00 0.00 H new ATOM 1073 N GLU A 76 25.464 23.056 -2.448 1.00 0.00 N ATOM 1074 CA GLU A 76 26.131 24.347 -2.393 1.00 0.00 C ATOM 1075 C GLU A 76 26.511 24.725 -0.964 1.00 0.00 C ATOM 1076 O GLU A 76 27.642 25.140 -0.712 1.00 0.00 O ATOM 1077 CB GLU A 76 25.245 25.430 -3.007 1.00 0.00 C ATOM 1078 CG GLU A 76 24.884 25.163 -4.460 1.00 0.00 C ATOM 1079 CD GLU A 76 26.103 24.896 -5.320 1.00 0.00 C ATOM 1080 OE1 GLU A 76 26.713 25.864 -5.819 1.00 0.00 O ATOM 1081 OE2 GLU A 76 26.461 23.716 -5.503 1.00 0.00 O ATOM 0 H GLU A 76 24.522 23.086 -2.837 1.00 0.00 H new ATOM 0 HA GLU A 76 27.051 24.267 -2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 76 24.329 25.514 -2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 76 25.757 26.390 -2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.211 24.307 -4.513 1.00 0.00 H new ATOM 0 HG3 GLU A 76 24.342 26.020 -4.860 1.00 0.00 H new ATOM 1088 N VAL A 77 25.580 24.567 -0.025 1.00 0.00 N ATOM 1089 CA VAL A 77 25.844 24.916 1.373 1.00 0.00 C ATOM 1090 C VAL A 77 26.892 23.984 1.979 1.00 0.00 C ATOM 1091 O VAL A 77 27.629 24.365 2.890 1.00 0.00 O ATOM 1092 CB VAL A 77 24.566 24.883 2.244 1.00 0.00 C ATOM 1093 CG1 VAL A 77 23.528 25.850 1.707 1.00 0.00 C ATOM 1094 CG2 VAL A 77 23.984 23.481 2.337 1.00 0.00 C ATOM 0 H VAL A 77 24.644 24.203 -0.202 1.00 0.00 H new ATOM 0 HA VAL A 77 26.221 25.939 1.367 1.00 0.00 H new ATOM 0 HB VAL A 77 24.849 25.192 3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 77 22.637 25.812 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 77 23.934 26.861 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 77 23.266 25.573 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 77 23.088 23.500 2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 77 23.727 23.127 1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 77 24.719 22.811 2.782 1.00 0.00 H new ATOM 1104 N VAL A 78 26.969 22.769 1.449 1.00 0.00 N ATOM 1105 CA VAL A 78 27.942 21.793 1.915 1.00 0.00 C ATOM 1106 C VAL A 78 29.343 22.194 1.461 1.00 0.00 C ATOM 1107 O VAL A 78 30.302 22.102 2.222 1.00 0.00 O ATOM 1108 CB VAL A 78 27.607 20.373 1.403 1.00 0.00 C ATOM 1109 CG1 VAL A 78 28.556 19.346 1.998 1.00 0.00 C ATOM 1110 CG2 VAL A 78 26.164 20.010 1.727 1.00 0.00 C ATOM 0 H VAL A 78 26.367 22.437 0.695 1.00 0.00 H new ATOM 0 HA VAL A 78 27.905 21.776 3.004 1.00 0.00 H new ATOM 0 HB VAL A 78 27.730 20.368 0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 78 28.301 18.355 1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 78 29.580 19.589 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.469 19.357 3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.949 19.007 1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 78 26.015 20.039 2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 78 25.493 20.724 1.249 1.00 0.00 H new ATOM 1120 N ALA A 79 29.444 22.674 0.226 1.00 0.00 N ATOM 1121 CA ALA A 79 30.718 23.135 -0.318 1.00 0.00 C ATOM 1122 C ALA A 79 31.188 24.401 0.392 1.00 0.00 C ATOM 1123 O ALA A 79 32.388 24.636 0.532 1.00 0.00 O ATOM 1124 CB ALA A 79 30.603 23.382 -1.813 1.00 0.00 C ATOM 0 H ALA A 79 28.658 22.754 -0.419 1.00 0.00 H new ATOM 0 HA ALA A 79 31.458 22.353 -0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 79 31.563 23.725 -2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 79 30.320 22.456 -2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 79 29.844 24.142 -1.999 1.00 0.00 H new ATOM 1130 N THR A 80 30.227 25.210 0.837 1.00 0.00 N ATOM 1131 CA THR A 80 30.521 26.434 1.577 1.00 0.00 C ATOM 1132 C THR A 80 31.140 26.110 2.941 1.00 0.00 C ATOM 1133 O THR A 80 31.807 26.947 3.554 1.00 0.00 O ATOM 1134 CB THR A 80 29.234 27.270 1.774 1.00 0.00 C ATOM 1135 OG1 THR A 80 28.591 27.483 0.510 1.00 0.00 O ATOM 1136 CG2 THR A 80 29.534 28.618 2.412 1.00 0.00 C ATOM 0 H THR A 80 29.232 25.037 0.696 1.00 0.00 H new ATOM 0 HA THR A 80 31.238 27.014 0.996 1.00 0.00 H new ATOM 0 HB THR A 80 28.577 26.711 2.441 1.00 0.00 H new ATOM 0 HG1 THR A 80 28.234 26.633 0.177 1.00 0.00 H new ATOM 0 HG21 THR A 80 28.606 29.177 2.535 1.00 0.00 H new ATOM 0 HG22 THR A 80 29.997 28.464 3.387 1.00 0.00 H new ATOM 0 HG23 THR A 80 30.214 29.180 1.772 1.00 0.00 H new ATOM 1144 N SER A 81 30.932 24.885 3.396 1.00 0.00 N ATOM 1145 CA SER A 81 31.424 24.460 4.693 1.00 0.00 C ATOM 1146 C SER A 81 32.885 24.010 4.607 1.00 0.00 C ATOM 1147 O SER A 81 33.266 23.297 3.677 1.00 0.00 O ATOM 1148 CB SER A 81 30.546 23.329 5.225 1.00 0.00 C ATOM 1149 OG SER A 81 29.186 23.734 5.286 1.00 0.00 O ATOM 0 H SER A 81 30.423 24.166 2.882 1.00 0.00 H new ATOM 0 HA SER A 81 31.378 25.306 5.379 1.00 0.00 H new ATOM 0 HB2 SER A 81 30.641 22.455 4.581 1.00 0.00 H new ATOM 0 HB3 SER A 81 30.887 23.033 6.217 1.00 0.00 H new ATOM 0 HG SER A 81 28.839 23.851 4.377 1.00 0.00 H new ATOM 1155 N PRO A 82 33.729 24.445 5.561 1.00 0.00 N ATOM 1156 CA PRO A 82 35.141 24.047 5.612 1.00 0.00 C ATOM 1157 C PRO A 82 35.314 22.560 5.943 1.00 0.00 C ATOM 1158 O PRO A 82 34.465 21.969 6.612 1.00 0.00 O ATOM 1159 CB PRO A 82 35.730 24.906 6.742 1.00 0.00 C ATOM 1160 CG PRO A 82 34.715 25.967 7.012 1.00 0.00 C ATOM 1161 CD PRO A 82 33.386 25.371 6.651 1.00 0.00 C ATOM 0 HA PRO A 82 35.630 24.194 4.649 1.00 0.00 H new ATOM 0 HB2 PRO A 82 35.917 24.307 7.633 1.00 0.00 H new ATOM 0 HB3 PRO A 82 36.684 25.343 6.446 1.00 0.00 H new ATOM 0 HG2 PRO A 82 34.736 26.269 8.059 1.00 0.00 H new ATOM 0 HG3 PRO A 82 34.916 26.859 6.419 1.00 0.00 H new ATOM 0 HD2 PRO A 82 32.933 24.852 7.495 1.00 0.00 H new ATOM 0 HD3 PRO A 82 32.676 26.132 6.327 1.00 0.00 H new ATOM 1169 N PRO A 83 36.429 21.940 5.498 1.00 0.00 N ATOM 1170 CA PRO A 83 36.737 20.521 5.769 1.00 0.00 C ATOM 1171 C PRO A 83 37.078 20.249 7.237 1.00 0.00 C ATOM 1172 O PRO A 83 37.792 19.302 7.554 1.00 0.00 O ATOM 1173 CB PRO A 83 37.966 20.236 4.895 1.00 0.00 C ATOM 1174 CG PRO A 83 38.054 21.379 3.943 1.00 0.00 C ATOM 1175 CD PRO A 83 37.470 22.556 4.663 1.00 0.00 C ATOM 0 HA PRO A 83 35.876 19.890 5.552 1.00 0.00 H new ATOM 0 HB2 PRO A 83 38.869 20.160 5.501 1.00 0.00 H new ATOM 0 HB3 PRO A 83 37.858 19.290 4.363 1.00 0.00 H new ATOM 0 HG2 PRO A 83 39.088 21.570 3.656 1.00 0.00 H new ATOM 0 HG3 PRO A 83 37.503 21.168 3.027 1.00 0.00 H new ATOM 0 HD2 PRO A 83 38.217 23.074 5.264 1.00 0.00 H new ATOM 0 HD3 PRO A 83 37.054 23.288 3.971 1.00 0.00 H new ATOM 1183 N GLN A 84 36.572 21.093 8.119 1.00 0.00 N ATOM 1184 CA GLN A 84 36.731 20.905 9.552 1.00 0.00 C ATOM 1185 C GLN A 84 35.360 20.808 10.207 1.00 0.00 C ATOM 1186 O GLN A 84 35.236 20.540 11.404 1.00 0.00 O ATOM 1187 CB GLN A 84 37.535 22.060 10.153 1.00 0.00 C ATOM 1188 CG GLN A 84 38.969 22.132 9.646 1.00 0.00 C ATOM 1189 CD GLN A 84 39.708 23.359 10.145 1.00 0.00 C ATOM 1190 OE1 GLN A 84 39.420 23.879 11.222 1.00 0.00 O ATOM 1191 NE2 GLN A 84 40.675 23.824 9.370 1.00 0.00 N ATOM 0 H GLN A 84 36.041 21.926 7.864 1.00 0.00 H new ATOM 0 HA GLN A 84 37.277 19.980 9.735 1.00 0.00 H new ATOM 0 HB2 GLN A 84 37.031 22.999 9.927 1.00 0.00 H new ATOM 0 HB3 GLN A 84 37.547 21.958 11.238 1.00 0.00 H new ATOM 0 HG2 GLN A 84 39.506 21.237 9.960 1.00 0.00 H new ATOM 0 HG3 GLN A 84 38.964 22.134 8.556 1.00 0.00 H new ATOM 0 HE21 GLN A 84 40.884 23.365 8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 84 41.212 24.642 9.659 1.00 0.00 H new ATOM 1200 N SER A 85 34.332 21.036 9.405 1.00 0.00 N ATOM 1201 CA SER A 85 32.956 20.945 9.859 1.00 0.00 C ATOM 1202 C SER A 85 32.122 20.250 8.789 1.00 0.00 C ATOM 1203 O SER A 85 30.893 20.263 8.826 1.00 0.00 O ATOM 1204 CB SER A 85 32.401 22.348 10.130 1.00 0.00 C ATOM 1205 OG SER A 85 33.279 23.092 10.958 1.00 0.00 O ATOM 0 H SER A 85 34.429 21.289 8.422 1.00 0.00 H new ATOM 0 HA SER A 85 32.913 20.369 10.783 1.00 0.00 H new ATOM 0 HB2 SER A 85 32.254 22.873 9.186 1.00 0.00 H new ATOM 0 HB3 SER A 85 31.424 22.270 10.607 1.00 0.00 H new ATOM 0 HG SER A 85 32.904 23.984 11.115 1.00 0.00 H new ATOM 1211 N TYR A 86 32.817 19.606 7.863 1.00 0.00 N ATOM 1212 CA TYR A 86 32.198 19.075 6.660 1.00 0.00 C ATOM 1213 C TYR A 86 31.407 17.808 6.958 1.00 0.00 C ATOM 1214 O TYR A 86 30.259 17.674 6.533 1.00 0.00 O ATOM 1215 CB TYR A 86 33.272 18.794 5.604 1.00 0.00 C ATOM 1216 CG TYR A 86 32.718 18.341 4.271 1.00 0.00 C ATOM 1217 CD1 TYR A 86 32.483 16.997 4.018 1.00 0.00 C ATOM 1218 CD2 TYR A 86 32.424 19.259 3.272 1.00 0.00 C ATOM 1219 CE1 TYR A 86 31.966 16.579 2.806 1.00 0.00 C ATOM 1220 CE2 TYR A 86 31.909 18.848 2.057 1.00 0.00 C ATOM 1221 CZ TYR A 86 31.679 17.506 1.830 1.00 0.00 C ATOM 1222 OH TYR A 86 31.150 17.087 0.631 1.00 0.00 O ATOM 0 H TYR A 86 33.821 19.438 7.925 1.00 0.00 H new ATOM 0 HA TYR A 86 31.501 19.820 6.277 1.00 0.00 H new ATOM 0 HB2 TYR A 86 33.864 19.697 5.452 1.00 0.00 H new ATOM 0 HB3 TYR A 86 33.949 18.029 5.984 1.00 0.00 H new ATOM 0 HD1 TYR A 86 32.708 16.266 4.780 1.00 0.00 H new ATOM 0 HD2 TYR A 86 32.600 20.310 3.447 1.00 0.00 H new ATOM 0 HE1 TYR A 86 31.788 15.529 2.626 1.00 0.00 H new ATOM 0 HE2 TYR A 86 31.687 19.574 1.288 1.00 0.00 H new ATOM 0 HH TYR A 86 31.870 16.756 0.054 1.00 0.00 H new ATOM 1232 N SER A 87 32.015 16.880 7.689 1.00 0.00 N ATOM 1233 CA SER A 87 31.354 15.619 8.004 1.00 0.00 C ATOM 1234 C SER A 87 30.142 15.859 8.893 1.00 0.00 C ATOM 1235 O SER A 87 29.159 15.121 8.834 1.00 0.00 O ATOM 1236 CB SER A 87 32.325 14.656 8.681 1.00 0.00 C ATOM 1237 OG SER A 87 33.509 14.510 7.915 1.00 0.00 O ATOM 0 H SER A 87 32.956 16.975 8.071 1.00 0.00 H new ATOM 0 HA SER A 87 31.017 15.169 7.070 1.00 0.00 H new ATOM 0 HB2 SER A 87 32.574 15.024 9.676 1.00 0.00 H new ATOM 0 HB3 SER A 87 31.849 13.684 8.811 1.00 0.00 H new ATOM 0 HG SER A 87 34.118 13.890 8.368 1.00 0.00 H new ATOM 1243 N ALA A 88 30.207 16.918 9.690 1.00 0.00 N ATOM 1244 CA ALA A 88 29.095 17.291 10.554 1.00 0.00 C ATOM 1245 C ALA A 88 27.911 17.731 9.705 1.00 0.00 C ATOM 1246 O ALA A 88 26.768 17.343 9.953 1.00 0.00 O ATOM 1247 CB ALA A 88 29.512 18.399 11.515 1.00 0.00 C ATOM 0 H ALA A 88 31.018 17.533 9.756 1.00 0.00 H new ATOM 0 HA ALA A 88 28.800 16.425 11.147 1.00 0.00 H new ATOM 0 HB1 ALA A 88 28.668 18.664 12.152 1.00 0.00 H new ATOM 0 HB2 ALA A 88 30.339 18.052 12.134 1.00 0.00 H new ATOM 0 HB3 ALA A 88 29.827 19.274 10.947 1.00 0.00 H new ATOM 1253 N VAL A 89 28.206 18.522 8.681 1.00 0.00 N ATOM 1254 CA VAL A 89 27.195 18.978 7.740 1.00 0.00 C ATOM 1255 C VAL A 89 26.675 17.802 6.921 1.00 0.00 C ATOM 1256 O VAL A 89 25.472 17.662 6.702 1.00 0.00 O ATOM 1257 CB VAL A 89 27.766 20.060 6.796 1.00 0.00 C ATOM 1258 CG1 VAL A 89 26.768 20.417 5.703 1.00 0.00 C ATOM 1259 CG2 VAL A 89 28.153 21.301 7.584 1.00 0.00 C ATOM 0 H VAL A 89 29.147 18.863 8.482 1.00 0.00 H new ATOM 0 HA VAL A 89 26.374 19.415 8.309 1.00 0.00 H new ATOM 0 HB VAL A 89 28.658 19.654 6.320 1.00 0.00 H new ATOM 0 HG11 VAL A 89 27.197 21.181 5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 89 26.539 19.528 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.853 20.798 6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 89 28.553 22.053 6.904 1.00 0.00 H new ATOM 0 HG22 VAL A 89 27.274 21.700 8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 89 28.910 21.041 8.324 1.00 0.00 H new ATOM 1269 N LEU A 90 27.598 16.946 6.498 1.00 0.00 N ATOM 1270 CA LEU A 90 27.266 15.774 5.700 1.00 0.00 C ATOM 1271 C LEU A 90 26.274 14.889 6.443 1.00 0.00 C ATOM 1272 O LEU A 90 25.234 14.516 5.893 1.00 0.00 O ATOM 1273 CB LEU A 90 28.545 14.987 5.372 1.00 0.00 C ATOM 1274 CG LEU A 90 28.513 14.168 4.076 1.00 0.00 C ATOM 1275 CD1 LEU A 90 29.914 13.739 3.687 1.00 0.00 C ATOM 1276 CD2 LEU A 90 27.617 12.944 4.201 1.00 0.00 C ATOM 0 H LEU A 90 28.593 17.045 6.698 1.00 0.00 H new ATOM 0 HA LEU A 90 26.803 16.100 4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 90 29.376 15.690 5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 90 28.755 14.311 6.201 1.00 0.00 H new ATOM 0 HG LEU A 90 28.100 14.810 3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 90 29.874 13.159 2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 90 30.535 14.621 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 90 30.341 13.128 4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 90 27.622 12.392 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 90 27.987 12.303 5.001 1.00 0.00 H new ATOM 0 HD23 LEU A 90 26.599 13.260 4.430 1.00 0.00 H new ATOM 1288 N ASN A 91 26.592 14.576 7.695 1.00 0.00 N ATOM 1289 CA ASN A 91 25.734 13.732 8.516 1.00 0.00 C ATOM 1290 C ASN A 91 24.389 14.403 8.765 1.00 0.00 C ATOM 1291 O ASN A 91 23.355 13.737 8.782 1.00 0.00 O ATOM 1292 CB ASN A 91 26.406 13.399 9.854 1.00 0.00 C ATOM 1293 CG ASN A 91 27.618 12.498 9.696 1.00 0.00 C ATOM 1294 OD1 ASN A 91 27.698 11.698 8.764 1.00 0.00 O ATOM 1295 ND2 ASN A 91 28.564 12.615 10.615 1.00 0.00 N ATOM 0 H ASN A 91 27.440 14.896 8.163 1.00 0.00 H new ATOM 0 HA ASN A 91 25.567 12.804 7.970 1.00 0.00 H new ATOM 0 HB2 ASN A 91 26.709 14.325 10.344 1.00 0.00 H new ATOM 0 HB3 ASN A 91 25.682 12.914 10.508 1.00 0.00 H new ATOM 0 HD21 ASN A 91 29.398 12.029 10.566 1.00 0.00 H new ATOM 0 HD22 ASN A 91 28.459 13.291 11.372 1.00 0.00 H new ATOM 1302 N THR A 92 24.410 15.720 8.945 1.00 0.00 N ATOM 1303 CA THR A 92 23.185 16.487 9.144 1.00 0.00 C ATOM 1304 C THR A 92 22.248 16.334 7.946 1.00 0.00 C ATOM 1305 O THR A 92 21.100 15.921 8.096 1.00 0.00 O ATOM 1306 CB THR A 92 23.490 17.984 9.368 1.00 0.00 C ATOM 1307 OG1 THR A 92 24.294 18.155 10.543 1.00 0.00 O ATOM 1308 CG2 THR A 92 22.207 18.790 9.509 1.00 0.00 C ATOM 0 H THR A 92 25.263 16.279 8.957 1.00 0.00 H new ATOM 0 HA THR A 92 22.697 16.092 10.035 1.00 0.00 H new ATOM 0 HB THR A 92 24.035 18.348 8.497 1.00 0.00 H new ATOM 0 HG1 THR A 92 25.143 17.679 10.430 1.00 0.00 H new ATOM 0 HG21 THR A 92 22.453 19.840 9.666 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.612 18.688 8.602 1.00 0.00 H new ATOM 0 HG23 THR A 92 21.636 18.420 10.361 1.00 0.00 H new ATOM 1316 N ILE A 93 22.757 16.650 6.759 1.00 0.00 N ATOM 1317 CA ILE A 93 21.973 16.546 5.530 1.00 0.00 C ATOM 1318 C ILE A 93 21.427 15.131 5.352 1.00 0.00 C ATOM 1319 O ILE A 93 20.278 14.941 4.956 1.00 0.00 O ATOM 1320 CB ILE A 93 22.823 16.914 4.294 1.00 0.00 C ATOM 1321 CG1 ILE A 93 23.416 18.317 4.447 1.00 0.00 C ATOM 1322 CG2 ILE A 93 21.994 16.823 3.015 1.00 0.00 C ATOM 1323 CD1 ILE A 93 22.380 19.419 4.557 1.00 0.00 C ATOM 0 H ILE A 93 23.712 16.981 6.621 1.00 0.00 H new ATOM 0 HA ILE A 93 21.144 17.248 5.616 1.00 0.00 H new ATOM 0 HB ILE A 93 23.641 16.197 4.222 1.00 0.00 H new ATOM 0 HG12 ILE A 93 24.048 18.338 5.335 1.00 0.00 H new ATOM 0 HG13 ILE A 93 24.060 18.523 3.592 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.615 17.087 2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.623 15.805 2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 93 21.151 17.512 3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 93 22.882 20.381 4.663 1.00 0.00 H new ATOM 0 HD12 ILE A 93 21.762 19.429 3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 93 21.750 19.241 5.429 1.00 0.00 H new ATOM 1335 N GLY A 94 22.262 14.146 5.655 1.00 0.00 N ATOM 1336 CA GLY A 94 21.858 12.757 5.529 1.00 0.00 C ATOM 1337 C GLY A 94 20.762 12.374 6.501 1.00 0.00 C ATOM 1338 O GLY A 94 19.765 11.757 6.119 1.00 0.00 O ATOM 0 H GLY A 94 23.216 14.284 5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 94 21.514 12.574 4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 94 22.724 12.115 5.693 1.00 0.00 H new ATOM 1342 N ALA A 95 20.939 12.754 7.753 1.00 0.00 N ATOM 1343 CA ALA A 95 19.977 12.430 8.800 1.00 0.00 C ATOM 1344 C ALA A 95 18.648 13.130 8.554 1.00 0.00 C ATOM 1345 O ALA A 95 17.586 12.528 8.702 1.00 0.00 O ATOM 1346 CB ALA A 95 20.528 12.813 10.165 1.00 0.00 C ATOM 0 H ALA A 95 21.744 13.291 8.075 1.00 0.00 H new ATOM 0 HA ALA A 95 19.806 11.354 8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 95 19.798 12.565 10.935 1.00 0.00 H new ATOM 0 HB2 ALA A 95 21.452 12.265 10.351 1.00 0.00 H new ATOM 0 HB3 ALA A 95 20.730 13.884 10.188 1.00 0.00 H new ATOM 1352 N CYS A 96 18.725 14.393 8.149 1.00 0.00 N ATOM 1353 CA CYS A 96 17.539 15.215 7.932 1.00 0.00 C ATOM 1354 C CYS A 96 16.836 14.870 6.620 1.00 0.00 C ATOM 1355 O CYS A 96 15.834 15.486 6.264 1.00 0.00 O ATOM 1356 CB CYS A 96 17.915 16.696 7.940 1.00 0.00 C ATOM 1357 SG CYS A 96 18.635 17.278 9.511 1.00 0.00 S ATOM 0 H CYS A 96 19.605 14.874 7.963 1.00 0.00 H new ATOM 0 HA CYS A 96 16.846 15.007 8.747 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.627 16.883 7.136 1.00 0.00 H new ATOM 0 HB3 CYS A 96 17.025 17.286 7.721 1.00 0.00 H new ATOM 1362 N LEU A 97 17.380 13.916 5.885 1.00 0.00 N ATOM 1363 CA LEU A 97 16.726 13.417 4.692 1.00 0.00 C ATOM 1364 C LEU A 97 16.050 12.091 5.028 1.00 0.00 C ATOM 1365 O LEU A 97 14.977 11.772 4.523 1.00 0.00 O ATOM 1366 CB LEU A 97 17.770 13.248 3.576 1.00 0.00 C ATOM 1367 CG LEU A 97 17.250 13.214 2.130 1.00 0.00 C ATOM 1368 CD1 LEU A 97 16.572 11.893 1.801 1.00 0.00 C ATOM 1369 CD2 LEU A 97 16.301 14.373 1.869 1.00 0.00 C ATOM 0 H LEU A 97 18.274 13.472 6.095 1.00 0.00 H new ATOM 0 HA LEU A 97 15.968 14.117 4.342 1.00 0.00 H new ATOM 0 HB2 LEU A 97 18.488 14.064 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 97 18.316 12.323 3.761 1.00 0.00 H new ATOM 0 HG LEU A 97 18.116 13.314 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 97 16.219 11.912 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 97 17.284 11.077 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 97 15.726 11.742 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 97 15.946 14.328 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 97 15.451 14.308 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 97 16.824 15.315 2.031 1.00 0.00 H new ATOM 1381 N ARG A 98 16.686 11.348 5.922 1.00 0.00 N ATOM 1382 CA ARG A 98 16.227 10.034 6.328 1.00 0.00 C ATOM 1383 C ARG A 98 14.871 10.083 7.032 1.00 0.00 C ATOM 1384 O ARG A 98 13.880 9.536 6.540 1.00 0.00 O ATOM 1385 CB ARG A 98 17.275 9.448 7.257 1.00 0.00 C ATOM 1386 CG ARG A 98 17.009 8.030 7.694 1.00 0.00 C ATOM 1387 CD ARG A 98 18.167 7.536 8.524 1.00 0.00 C ATOM 1388 NE ARG A 98 18.114 8.020 9.904 1.00 0.00 N ATOM 1389 CZ ARG A 98 19.162 8.025 10.729 1.00 0.00 C ATOM 1390 NH1 ARG A 98 20.341 7.580 10.306 1.00 0.00 N ATOM 1391 NH2 ARG A 98 19.027 8.466 11.975 1.00 0.00 N ATOM 0 H ARG A 98 17.543 11.646 6.388 1.00 0.00 H new ATOM 0 HA ARG A 98 16.093 9.415 5.441 1.00 0.00 H new ATOM 0 HB2 ARG A 98 18.244 9.484 6.758 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.349 10.079 8.143 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.086 7.983 8.273 1.00 0.00 H new ATOM 0 HG3 ARG A 98 16.872 7.389 6.823 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.171 6.446 8.525 1.00 0.00 H new ATOM 0 HD3 ARG A 98 19.102 7.858 8.065 1.00 0.00 H new ATOM 0 HE ARG A 98 17.224 8.374 10.255 1.00 0.00 H new ATOM 0 HH11 ARG A 98 20.443 7.235 9.351 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.143 7.583 10.936 1.00 0.00 H new ATOM 0 HH21 ARG A 98 18.121 8.801 12.302 1.00 0.00 H new ATOM 0 HH22 ARG A 98 19.829 8.469 12.605 1.00 0.00 H new ATOM 1405 N GLU A 99 14.838 10.730 8.190 1.00 0.00 N ATOM 1406 CA GLU A 99 13.618 10.796 8.990 1.00 0.00 C ATOM 1407 C GLU A 99 12.506 11.545 8.264 1.00 0.00 C ATOM 1408 O GLU A 99 11.332 11.190 8.372 1.00 0.00 O ATOM 1409 CB GLU A 99 13.892 11.397 10.381 1.00 0.00 C ATOM 1410 CG GLU A 99 14.871 12.568 10.425 1.00 0.00 C ATOM 1411 CD GLU A 99 14.328 13.833 9.801 1.00 0.00 C ATOM 1412 OE1 GLU A 99 13.527 14.526 10.457 1.00 0.00 O ATOM 1413 OE2 GLU A 99 14.700 14.127 8.649 1.00 0.00 O ATOM 0 H GLU A 99 15.638 11.215 8.597 1.00 0.00 H new ATOM 0 HA GLU A 99 13.271 9.773 9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.944 11.726 10.805 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.273 10.606 11.027 1.00 0.00 H new ATOM 0 HG2 GLU A 99 15.137 12.770 11.463 1.00 0.00 H new ATOM 0 HG3 GLU A 99 15.789 12.283 9.910 1.00 0.00 H new ATOM 1420 N SER A 100 12.885 12.563 7.521 1.00 0.00 N ATOM 1421 CA SER A 100 11.948 13.321 6.708 1.00 0.00 C ATOM 1422 C SER A 100 11.314 12.454 5.618 1.00 0.00 C ATOM 1423 O SER A 100 10.136 12.624 5.290 1.00 0.00 O ATOM 1424 CB SER A 100 12.656 14.521 6.086 1.00 0.00 C ATOM 1425 OG SER A 100 13.060 15.440 7.083 1.00 0.00 O ATOM 0 H SER A 100 13.849 12.891 7.461 1.00 0.00 H new ATOM 0 HA SER A 100 11.145 13.670 7.357 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.526 14.183 5.523 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.990 15.015 5.378 1.00 0.00 H new ATOM 0 HG SER A 100 13.899 15.135 7.488 1.00 0.00 H new ATOM 1431 N MET A 101 12.088 11.521 5.068 1.00 0.00 N ATOM 1432 CA MET A 101 11.597 10.634 4.026 1.00 0.00 C ATOM 1433 C MET A 101 10.473 9.743 4.550 1.00 0.00 C ATOM 1434 O MET A 101 9.403 9.653 3.940 1.00 0.00 O ATOM 1435 CB MET A 101 12.735 9.778 3.484 1.00 0.00 C ATOM 1436 CG MET A 101 12.324 8.993 2.278 1.00 0.00 C ATOM 1437 SD MET A 101 13.662 8.040 1.566 1.00 0.00 S ATOM 1438 CE MET A 101 12.873 7.664 0.021 1.00 0.00 C ATOM 0 H MET A 101 13.061 11.363 5.331 1.00 0.00 H new ATOM 0 HA MET A 101 11.197 11.248 3.219 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.580 10.418 3.229 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.076 9.095 4.262 1.00 0.00 H new ATOM 0 HG2 MET A 101 11.512 8.319 2.551 1.00 0.00 H new ATOM 0 HG3 MET A 101 11.932 9.676 1.524 1.00 0.00 H new ATOM 0 HE1 MET A 101 13.624 7.354 -0.705 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.154 6.858 0.166 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.355 8.549 -0.348 1.00 0.00 H new ATOM 1448 N MET A 102 10.708 9.095 5.688 1.00 0.00 N ATOM 1449 CA MET A 102 9.680 8.253 6.297 1.00 0.00 C ATOM 1450 C MET A 102 8.559 9.103 6.880 1.00 0.00 C ATOM 1451 O MET A 102 7.431 8.637 7.031 1.00 0.00 O ATOM 1452 CB MET A 102 10.256 7.339 7.381 1.00 0.00 C ATOM 1453 CG MET A 102 10.966 8.063 8.512 1.00 0.00 C ATOM 1454 SD MET A 102 11.043 7.069 10.014 1.00 0.00 S ATOM 1455 CE MET A 102 11.545 5.488 9.340 1.00 0.00 C ATOM 0 H MET A 102 11.588 9.135 6.202 1.00 0.00 H new ATOM 0 HA MET A 102 9.277 7.622 5.505 1.00 0.00 H new ATOM 0 HB2 MET A 102 9.446 6.742 7.802 1.00 0.00 H new ATOM 0 HB3 MET A 102 10.956 6.644 6.917 1.00 0.00 H new ATOM 0 HG2 MET A 102 11.977 8.322 8.197 1.00 0.00 H new ATOM 0 HG3 MET A 102 10.449 8.999 8.724 1.00 0.00 H new ATOM 0 HE1 MET A 102 11.366 4.705 10.077 1.00 0.00 H new ATOM 0 HE2 MET A 102 10.969 5.277 8.439 1.00 0.00 H new ATOM 0 HE3 MET A 102 12.606 5.518 9.093 1.00 0.00 H new ATOM 1465 N GLN A 103 8.872 10.355 7.198 1.00 0.00 N ATOM 1466 CA GLN A 103 7.881 11.286 7.721 1.00 0.00 C ATOM 1467 C GLN A 103 6.845 11.590 6.647 1.00 0.00 C ATOM 1468 O GLN A 103 5.703 11.939 6.943 1.00 0.00 O ATOM 1469 CB GLN A 103 8.555 12.582 8.175 1.00 0.00 C ATOM 1470 CG GLN A 103 7.982 13.150 9.462 1.00 0.00 C ATOM 1471 CD GLN A 103 8.261 12.263 10.664 1.00 0.00 C ATOM 1472 OE1 GLN A 103 7.465 12.198 11.600 1.00 0.00 O ATOM 1473 NE2 GLN A 103 9.402 11.585 10.657 1.00 0.00 N ATOM 0 H GLN A 103 9.808 10.748 7.102 1.00 0.00 H new ATOM 0 HA GLN A 103 7.388 10.830 8.580 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.621 12.398 8.312 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.459 13.327 7.385 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.404 14.139 9.639 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.905 13.278 9.351 1.00 0.00 H new ATOM 0 HE21 GLN A 103 10.037 11.664 9.863 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.644 10.985 11.446 1.00 0.00 H new ATOM 1482 N ALA A 104 7.264 11.454 5.395 1.00 0.00 N ATOM 1483 CA ALA A 104 6.380 11.661 4.265 1.00 0.00 C ATOM 1484 C ALA A 104 5.477 10.453 4.057 1.00 0.00 C ATOM 1485 O ALA A 104 4.258 10.554 4.185 1.00 0.00 O ATOM 1486 CB ALA A 104 7.194 11.944 3.012 1.00 0.00 C ATOM 0 H ALA A 104 8.218 11.199 5.140 1.00 0.00 H new ATOM 0 HA ALA A 104 5.746 12.523 4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.521 12.098 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.797 12.840 3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.848 11.097 2.804 1.00 0.00 H new ATOM 1492 N THR A 105 6.086 9.311 3.750 1.00 0.00 N ATOM 1493 CA THR A 105 5.339 8.080 3.495 1.00 0.00 C ATOM 1494 C THR A 105 6.250 6.988 2.924 1.00 0.00 C ATOM 1495 O THR A 105 5.968 5.795 3.067 1.00 0.00 O ATOM 1496 CB THR A 105 4.161 8.313 2.511 1.00 0.00 C ATOM 1497 OG1 THR A 105 3.403 7.110 2.339 1.00 0.00 O ATOM 1498 CG2 THR A 105 4.659 8.785 1.155 1.00 0.00 C ATOM 0 H THR A 105 7.098 9.211 3.671 1.00 0.00 H new ATOM 0 HA THR A 105 4.939 7.757 4.456 1.00 0.00 H new ATOM 0 HB THR A 105 3.526 9.087 2.942 1.00 0.00 H new ATOM 0 HG1 THR A 105 2.664 7.275 1.717 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.810 8.939 0.489 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.202 9.723 1.273 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.322 8.032 0.729 1.00 0.00 H new ATOM 1506 N GLY A 106 7.350 7.395 2.298 1.00 0.00 N ATOM 1507 CA GLY A 106 8.180 6.448 1.572 1.00 0.00 C ATOM 1508 C GLY A 106 9.224 5.761 2.429 1.00 0.00 C ATOM 1509 O GLY A 106 10.227 5.283 1.900 1.00 0.00 O ATOM 0 H GLY A 106 7.681 8.360 2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.539 5.690 1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.680 6.970 0.756 1.00 0.00 H new ATOM 1513 N SER A 107 8.977 5.689 3.741 1.00 0.00 N ATOM 1514 CA SER A 107 9.901 5.063 4.688 1.00 0.00 C ATOM 1515 C SER A 107 11.328 5.562 4.461 1.00 0.00 C ATOM 1516 O SER A 107 11.535 6.710 4.083 1.00 0.00 O ATOM 1517 CB SER A 107 9.817 3.528 4.587 1.00 0.00 C ATOM 1518 OG SER A 107 10.178 3.053 3.301 1.00 0.00 O ATOM 0 H SER A 107 8.132 6.063 4.174 1.00 0.00 H new ATOM 0 HA SER A 107 9.610 5.348 5.699 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.472 3.081 5.334 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.802 3.206 4.819 1.00 0.00 H new ATOM 0 HG SER A 107 10.521 3.796 2.762 1.00 0.00 H new ATOM 1524 N VAL A 108 12.306 4.720 4.722 1.00 0.00 N ATOM 1525 CA VAL A 108 13.684 5.062 4.433 1.00 0.00 C ATOM 1526 C VAL A 108 14.235 4.104 3.391 1.00 0.00 C ATOM 1527 O VAL A 108 14.571 2.960 3.703 1.00 0.00 O ATOM 1528 CB VAL A 108 14.571 5.020 5.692 1.00 0.00 C ATOM 1529 CG1 VAL A 108 15.983 5.471 5.365 1.00 0.00 C ATOM 1530 CG2 VAL A 108 13.978 5.885 6.791 1.00 0.00 C ATOM 0 H VAL A 108 12.174 3.796 5.133 1.00 0.00 H new ATOM 0 HA VAL A 108 13.698 6.084 4.055 1.00 0.00 H new ATOM 0 HB VAL A 108 14.612 3.991 6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 108 16.595 5.435 6.267 1.00 0.00 H new ATOM 0 HG12 VAL A 108 16.410 4.811 4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 108 15.960 6.492 4.983 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.618 5.843 7.672 1.00 0.00 H new ATOM 0 HG22 VAL A 108 13.906 6.916 6.444 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.984 5.518 7.047 1.00 0.00 H new ATOM 1540 N ASP A 109 14.293 4.561 2.151 1.00 0.00 N ATOM 1541 CA ASP A 109 14.780 3.732 1.055 1.00 0.00 C ATOM 1542 C ASP A 109 16.304 3.670 1.068 1.00 0.00 C ATOM 1543 O ASP A 109 16.974 4.652 1.397 1.00 0.00 O ATOM 1544 CB ASP A 109 14.278 4.257 -0.292 1.00 0.00 C ATOM 1545 CG ASP A 109 14.796 3.437 -1.453 1.00 0.00 C ATOM 1546 OD1 ASP A 109 14.233 2.360 -1.727 1.00 0.00 O ATOM 1547 OD2 ASP A 109 15.785 3.858 -2.080 1.00 0.00 O ATOM 0 H ASP A 109 14.009 5.501 1.876 1.00 0.00 H new ATOM 0 HA ASP A 109 14.390 2.724 1.194 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.188 4.248 -0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 109 14.589 5.294 -0.415 1.00 0.00 H new ATOM 1552 N ASN A 110 16.845 2.515 0.695 1.00 0.00 N ATOM 1553 CA ASN A 110 18.279 2.260 0.806 1.00 0.00 C ATOM 1554 C ASN A 110 19.049 2.850 -0.370 1.00 0.00 C ATOM 1555 O ASN A 110 20.260 3.054 -0.288 1.00 0.00 O ATOM 1556 CB ASN A 110 18.553 0.755 0.881 1.00 0.00 C ATOM 1557 CG ASN A 110 17.783 0.075 1.995 1.00 0.00 C ATOM 1558 OD1 ASN A 110 18.246 0.005 3.133 1.00 0.00 O ATOM 1559 ND2 ASN A 110 16.606 -0.439 1.675 1.00 0.00 N ATOM 0 H ASN A 110 16.310 1.736 0.311 1.00 0.00 H new ATOM 0 HA ASN A 110 18.620 2.743 1.722 1.00 0.00 H new ATOM 0 HB2 ASN A 110 18.290 0.294 -0.071 1.00 0.00 H new ATOM 0 HB3 ASN A 110 19.620 0.591 1.030 1.00 0.00 H new ATOM 0 HD21 ASN A 110 16.047 -0.914 2.384 1.00 0.00 H new ATOM 0 HD22 ASN A 110 16.258 -0.360 0.720 1.00 0.00 H new ATOM 1566 N ALA A 111 18.353 3.124 -1.459 1.00 0.00 N ATOM 1567 CA ALA A 111 18.999 3.618 -2.662 1.00 0.00 C ATOM 1568 C ALA A 111 18.853 5.128 -2.781 1.00 0.00 C ATOM 1569 O ALA A 111 19.829 5.825 -3.026 1.00 0.00 O ATOM 1570 CB ALA A 111 18.424 2.931 -3.891 1.00 0.00 C ATOM 0 H ALA A 111 17.342 3.013 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 111 20.062 3.386 -2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 111 18.918 3.312 -4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 111 18.587 1.856 -3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 111 17.355 3.133 -3.954 1.00 0.00 H new ATOM 1576 N PHE A 112 17.634 5.624 -2.596 1.00 0.00 N ATOM 1577 CA PHE A 112 17.345 7.047 -2.753 1.00 0.00 C ATOM 1578 C PHE A 112 18.164 7.897 -1.784 1.00 0.00 C ATOM 1579 O PHE A 112 18.793 8.870 -2.193 1.00 0.00 O ATOM 1580 CB PHE A 112 15.851 7.319 -2.554 1.00 0.00 C ATOM 1581 CG PHE A 112 15.453 8.747 -2.820 1.00 0.00 C ATOM 1582 CD1 PHE A 112 15.360 9.221 -4.120 1.00 0.00 C ATOM 1583 CD2 PHE A 112 15.174 9.615 -1.774 1.00 0.00 C ATOM 1584 CE1 PHE A 112 14.997 10.531 -4.371 1.00 0.00 C ATOM 1585 CE2 PHE A 112 14.809 10.926 -2.019 1.00 0.00 C ATOM 1586 CZ PHE A 112 14.721 11.385 -3.320 1.00 0.00 C ATOM 0 H PHE A 112 16.826 5.059 -2.336 1.00 0.00 H new ATOM 0 HA PHE A 112 17.626 7.327 -3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 112 15.281 6.664 -3.213 1.00 0.00 H new ATOM 0 HB3 PHE A 112 15.577 7.060 -1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.574 8.559 -4.946 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.243 9.262 -0.756 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.929 10.887 -5.388 1.00 0.00 H new ATOM 0 HE2 PHE A 112 14.593 11.590 -1.195 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.437 12.409 -3.515 1.00 0.00 H new ATOM 1596 N THR A 113 18.164 7.529 -0.506 1.00 0.00 N ATOM 1597 CA THR A 113 18.909 8.283 0.500 1.00 0.00 C ATOM 1598 C THR A 113 20.402 8.290 0.170 1.00 0.00 C ATOM 1599 O THR A 113 21.076 9.317 0.280 1.00 0.00 O ATOM 1600 CB THR A 113 18.693 7.702 1.913 1.00 0.00 C ATOM 1601 OG1 THR A 113 19.009 6.302 1.926 1.00 0.00 O ATOM 1602 CG2 THR A 113 17.253 7.906 2.367 1.00 0.00 C ATOM 0 H THR A 113 17.661 6.719 -0.143 1.00 0.00 H new ATOM 0 HA THR A 113 18.533 9.306 0.487 1.00 0.00 H new ATOM 0 HB THR A 113 19.355 8.228 2.601 1.00 0.00 H new ATOM 0 HG1 THR A 113 18.180 5.780 1.947 1.00 0.00 H new ATOM 0 HG21 THR A 113 17.124 7.489 3.366 1.00 0.00 H new ATOM 0 HG22 THR A 113 17.025 8.972 2.387 1.00 0.00 H new ATOM 0 HG23 THR A 113 16.578 7.404 1.674 1.00 0.00 H new ATOM 1610 N ASN A 114 20.895 7.136 -0.257 1.00 0.00 N ATOM 1611 CA ASN A 114 22.285 6.981 -0.666 1.00 0.00 C ATOM 1612 C ASN A 114 22.578 7.787 -1.930 1.00 0.00 C ATOM 1613 O ASN A 114 23.633 8.405 -2.052 1.00 0.00 O ATOM 1614 CB ASN A 114 22.590 5.494 -0.881 1.00 0.00 C ATOM 1615 CG ASN A 114 23.857 5.242 -1.676 1.00 0.00 C ATOM 1616 OD1 ASN A 114 24.959 5.219 -1.127 1.00 0.00 O ATOM 1617 ND2 ASN A 114 23.702 5.029 -2.975 1.00 0.00 N ATOM 0 H ASN A 114 20.344 6.281 -0.330 1.00 0.00 H new ATOM 0 HA ASN A 114 22.931 7.366 0.123 1.00 0.00 H new ATOM 0 HB2 ASN A 114 22.677 5.006 0.090 1.00 0.00 H new ATOM 0 HB3 ASN A 114 21.749 5.030 -1.397 1.00 0.00 H new ATOM 0 HD21 ASN A 114 24.515 4.837 -3.561 1.00 0.00 H new ATOM 0 HD22 ASN A 114 22.770 5.057 -3.389 1.00 0.00 H new ATOM 1624 N GLU A 115 21.628 7.785 -2.857 1.00 0.00 N ATOM 1625 CA GLU A 115 21.738 8.502 -4.099 1.00 0.00 C ATOM 1626 C GLU A 115 21.829 10.004 -3.851 1.00 0.00 C ATOM 1627 O GLU A 115 22.703 10.679 -4.398 1.00 0.00 O ATOM 1628 CB GLU A 115 20.521 8.146 -4.943 1.00 0.00 C ATOM 1629 CG GLU A 115 20.458 8.873 -6.252 1.00 0.00 C ATOM 1630 CD GLU A 115 19.404 8.306 -7.178 1.00 0.00 C ATOM 1631 OE1 GLU A 115 18.202 8.545 -6.943 1.00 0.00 O ATOM 1632 OE2 GLU A 115 19.772 7.592 -8.136 1.00 0.00 O ATOM 0 H GLU A 115 20.751 7.274 -2.755 1.00 0.00 H new ATOM 0 HA GLU A 115 22.649 8.220 -4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.525 7.073 -5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 115 19.618 8.365 -4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 115 20.248 9.927 -6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 115 21.431 8.822 -6.740 1.00 0.00 H new ATOM 1639 N VAL A 116 20.936 10.516 -3.009 1.00 0.00 N ATOM 1640 CA VAL A 116 20.974 11.919 -2.613 1.00 0.00 C ATOM 1641 C VAL A 116 22.323 12.244 -1.982 1.00 0.00 C ATOM 1642 O VAL A 116 22.969 13.221 -2.352 1.00 0.00 O ATOM 1643 CB VAL A 116 19.842 12.270 -1.620 1.00 0.00 C ATOM 1644 CG1 VAL A 116 19.955 13.717 -1.157 1.00 0.00 C ATOM 1645 CG2 VAL A 116 18.485 12.022 -2.258 1.00 0.00 C ATOM 0 H VAL A 116 20.177 9.980 -2.588 1.00 0.00 H new ATOM 0 HA VAL A 116 20.829 12.517 -3.512 1.00 0.00 H new ATOM 0 HB VAL A 116 19.942 11.625 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 116 19.148 13.940 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 116 20.914 13.867 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 116 19.884 14.381 -2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 116 17.698 12.273 -1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 116 18.382 12.643 -3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 116 18.400 10.972 -2.537 1.00 0.00 H new ATOM 1655 N MET A 117 22.755 11.401 -1.049 1.00 0.00 N ATOM 1656 CA MET A 117 24.045 11.585 -0.389 1.00 0.00 C ATOM 1657 C MET A 117 25.175 11.648 -1.404 1.00 0.00 C ATOM 1658 O MET A 117 25.954 12.604 -1.411 1.00 0.00 O ATOM 1659 CB MET A 117 24.307 10.467 0.619 1.00 0.00 C ATOM 1660 CG MET A 117 23.543 10.611 1.930 1.00 0.00 C ATOM 1661 SD MET A 117 24.120 11.993 2.953 1.00 0.00 S ATOM 1662 CE MET A 117 23.237 13.382 2.244 1.00 0.00 C ATOM 0 H MET A 117 22.232 10.584 -0.733 1.00 0.00 H new ATOM 0 HA MET A 117 24.008 12.534 0.146 1.00 0.00 H new ATOM 0 HB2 MET A 117 24.044 9.513 0.162 1.00 0.00 H new ATOM 0 HB3 MET A 117 25.375 10.433 0.836 1.00 0.00 H new ATOM 0 HG2 MET A 117 22.484 10.748 1.711 1.00 0.00 H new ATOM 0 HG3 MET A 117 23.634 9.685 2.498 1.00 0.00 H new ATOM 0 HE1 MET A 117 22.868 14.025 3.043 1.00 0.00 H new ATOM 0 HE2 MET A 117 23.909 13.951 1.602 1.00 0.00 H new ATOM 0 HE3 MET A 117 22.396 13.016 1.655 1.00 0.00 H new ATOM 1672 N GLN A 118 25.238 10.643 -2.269 1.00 0.00 N ATOM 1673 CA GLN A 118 26.269 10.562 -3.296 1.00 0.00 C ATOM 1674 C GLN A 118 26.293 11.825 -4.147 1.00 0.00 C ATOM 1675 O GLN A 118 27.339 12.446 -4.322 1.00 0.00 O ATOM 1676 CB GLN A 118 26.021 9.341 -4.186 1.00 0.00 C ATOM 1677 CG GLN A 118 27.032 9.179 -5.312 1.00 0.00 C ATOM 1678 CD GLN A 118 26.682 8.039 -6.249 1.00 0.00 C ATOM 1679 OE1 GLN A 118 26.069 7.052 -5.845 1.00 0.00 O ATOM 1680 NE2 GLN A 118 27.076 8.165 -7.505 1.00 0.00 N ATOM 0 H GLN A 118 24.579 9.865 -2.279 1.00 0.00 H new ATOM 0 HA GLN A 118 27.236 10.463 -2.803 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.036 8.444 -3.567 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.022 9.415 -4.616 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.089 10.107 -5.880 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.020 9.004 -4.886 1.00 0.00 H new ATOM 0 HE21 GLN A 118 27.582 9.000 -7.799 1.00 0.00 H new ATOM 0 HE22 GLN A 118 26.874 7.427 -8.179 1.00 0.00 H new ATOM 1689 N LEU A 119 25.129 12.205 -4.658 1.00 0.00 N ATOM 1690 CA LEU A 119 25.011 13.376 -5.512 1.00 0.00 C ATOM 1691 C LEU A 119 25.431 14.646 -4.789 1.00 0.00 C ATOM 1692 O LEU A 119 26.234 15.413 -5.308 1.00 0.00 O ATOM 1693 CB LEU A 119 23.583 13.507 -6.034 1.00 0.00 C ATOM 1694 CG LEU A 119 23.239 12.574 -7.192 1.00 0.00 C ATOM 1695 CD1 LEU A 119 21.745 12.310 -7.232 1.00 0.00 C ATOM 1696 CD2 LEU A 119 23.699 13.175 -8.510 1.00 0.00 C ATOM 0 H LEU A 119 24.250 11.715 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 119 25.688 13.240 -6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 119 22.892 13.315 -5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 119 23.421 14.536 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 119 23.758 11.628 -7.039 1.00 0.00 H new ATOM 0 HD11 LEU A 119 21.515 11.643 -8.063 1.00 0.00 H new ATOM 0 HD12 LEU A 119 21.432 11.845 -6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 119 21.213 13.252 -7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 119 23.447 12.498 -9.326 1.00 0.00 H new ATOM 0 HD22 LEU A 119 23.203 14.133 -8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 119 24.778 13.326 -8.484 1.00 0.00 H new ATOM 1708 N VAL A 120 24.909 14.861 -3.587 1.00 0.00 N ATOM 1709 CA VAL A 120 25.229 16.069 -2.831 1.00 0.00 C ATOM 1710 C VAL A 120 26.735 16.173 -2.565 1.00 0.00 C ATOM 1711 O VAL A 120 27.334 17.223 -2.781 1.00 0.00 O ATOM 1712 CB VAL A 120 24.460 16.140 -1.491 1.00 0.00 C ATOM 1713 CG1 VAL A 120 24.825 17.402 -0.725 1.00 0.00 C ATOM 1714 CG2 VAL A 120 22.959 16.092 -1.727 1.00 0.00 C ATOM 0 H VAL A 120 24.268 14.222 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 120 24.915 16.911 -3.448 1.00 0.00 H new ATOM 0 HB VAL A 120 24.748 15.274 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 120 24.272 17.430 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 120 25.895 17.404 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 120 24.570 18.277 -1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 120 22.439 16.143 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 120 22.661 16.937 -2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 120 22.700 15.161 -2.232 1.00 0.00 H new ATOM 1724 N LYS A 121 27.340 15.083 -2.098 1.00 0.00 N ATOM 1725 CA LYS A 121 28.778 15.055 -1.839 1.00 0.00 C ATOM 1726 C LYS A 121 29.577 15.265 -3.123 1.00 0.00 C ATOM 1727 O LYS A 121 30.484 16.091 -3.171 1.00 0.00 O ATOM 1728 CB LYS A 121 29.173 13.720 -1.197 1.00 0.00 C ATOM 1729 CG LYS A 121 28.996 13.648 0.315 1.00 0.00 C ATOM 1730 CD LYS A 121 27.570 13.916 0.772 1.00 0.00 C ATOM 1731 CE LYS A 121 27.327 15.395 1.030 1.00 0.00 C ATOM 1732 NZ LYS A 121 26.036 15.621 1.728 1.00 0.00 N ATOM 0 H LYS A 121 26.858 14.208 -1.891 1.00 0.00 H new ATOM 0 HA LYS A 121 29.010 15.871 -1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 121 28.581 12.927 -1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 121 30.217 13.516 -1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 121 29.301 12.661 0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 121 29.662 14.371 0.786 1.00 0.00 H new ATOM 0 HD2 LYS A 121 26.873 13.560 0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 121 27.368 13.351 1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 121 28.142 15.799 1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 121 27.330 15.936 0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 25.963 16.620 2.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 25.250 15.383 1.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 25.989 15.019 2.575 1.00 0.00 H new ATOM 1746 N MET A 122 29.213 14.531 -4.163 1.00 0.00 N ATOM 1747 CA MET A 122 29.928 14.577 -5.436 1.00 0.00 C ATOM 1748 C MET A 122 29.796 15.943 -6.113 1.00 0.00 C ATOM 1749 O MET A 122 30.697 16.376 -6.833 1.00 0.00 O ATOM 1750 CB MET A 122 29.412 13.453 -6.345 1.00 0.00 C ATOM 1751 CG MET A 122 29.925 13.504 -7.775 1.00 0.00 C ATOM 1752 SD MET A 122 28.760 14.291 -8.906 1.00 0.00 S ATOM 1753 CE MET A 122 27.371 13.160 -8.806 1.00 0.00 C ATOM 0 H MET A 122 28.420 13.890 -4.153 1.00 0.00 H new ATOM 0 HA MET A 122 30.991 14.427 -5.246 1.00 0.00 H new ATOM 0 HB2 MET A 122 29.691 12.494 -5.908 1.00 0.00 H new ATOM 0 HB3 MET A 122 28.323 13.490 -6.363 1.00 0.00 H new ATOM 0 HG2 MET A 122 30.870 14.046 -7.798 1.00 0.00 H new ATOM 0 HG3 MET A 122 30.131 12.490 -8.119 1.00 0.00 H new ATOM 0 HE1 MET A 122 26.741 13.278 -9.688 1.00 0.00 H new ATOM 0 HE2 MET A 122 27.739 12.135 -8.758 1.00 0.00 H new ATOM 0 HE3 MET A 122 26.788 13.379 -7.912 1.00 0.00 H new ATOM 1763 N LEU A 123 28.690 16.628 -5.863 1.00 0.00 N ATOM 1764 CA LEU A 123 28.452 17.932 -6.472 1.00 0.00 C ATOM 1765 C LEU A 123 28.975 19.070 -5.596 1.00 0.00 C ATOM 1766 O LEU A 123 28.717 20.238 -5.875 1.00 0.00 O ATOM 1767 CB LEU A 123 26.956 18.124 -6.747 1.00 0.00 C ATOM 1768 CG LEU A 123 26.355 17.165 -7.778 1.00 0.00 C ATOM 1769 CD1 LEU A 123 24.840 17.270 -7.784 1.00 0.00 C ATOM 1770 CD2 LEU A 123 26.913 17.455 -9.162 1.00 0.00 C ATOM 0 H LEU A 123 27.945 16.306 -5.245 1.00 0.00 H new ATOM 0 HA LEU A 123 28.999 17.960 -7.415 1.00 0.00 H new ATOM 0 HB2 LEU A 123 26.413 18.010 -5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 123 26.794 19.147 -7.088 1.00 0.00 H new ATOM 0 HG LEU A 123 26.628 16.147 -7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 123 24.430 16.581 -8.523 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.454 17.015 -6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 123 24.547 18.289 -8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 123 26.475 16.764 -9.883 1.00 0.00 H new ATOM 0 HD22 LEU A 123 26.669 18.479 -9.446 1.00 0.00 H new ATOM 0 HD23 LEU A 123 27.996 17.330 -9.151 1.00 0.00 H new ATOM 1782 N SER A 124 29.720 18.736 -4.549 1.00 0.00 N ATOM 1783 CA SER A 124 30.288 19.757 -3.679 1.00 0.00 C ATOM 1784 C SER A 124 31.771 19.503 -3.439 1.00 0.00 C ATOM 1785 O SER A 124 32.619 20.323 -3.799 1.00 0.00 O ATOM 1786 CB SER A 124 29.527 19.812 -2.350 1.00 0.00 C ATOM 1787 OG SER A 124 29.387 18.522 -1.782 1.00 0.00 O ATOM 0 H SER A 124 29.943 17.777 -4.284 1.00 0.00 H new ATOM 0 HA SER A 124 30.187 20.722 -4.175 1.00 0.00 H new ATOM 0 HB2 SER A 124 30.055 20.463 -1.653 1.00 0.00 H new ATOM 0 HB3 SER A 124 28.542 20.250 -2.511 1.00 0.00 H new ATOM 0 HG SER A 124 28.467 18.208 -1.907 1.00 0.00 H new ATOM 1793 N ALA A 125 32.073 18.360 -2.844 1.00 0.00 N ATOM 1794 CA ALA A 125 33.442 17.975 -2.552 1.00 0.00 C ATOM 1795 C ALA A 125 33.516 16.487 -2.254 1.00 0.00 C ATOM 1796 O ALA A 125 33.058 16.032 -1.207 1.00 0.00 O ATOM 1797 CB ALA A 125 33.986 18.775 -1.379 1.00 0.00 C ATOM 0 H ALA A 125 31.376 17.675 -2.551 1.00 0.00 H new ATOM 0 HA ALA A 125 34.055 18.190 -3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 125 35.013 18.471 -1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 125 33.963 19.837 -1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 125 33.373 18.591 -0.497 1.00 0.00 H new