USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=33 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 54 MET CE :methyl -177:sc= 0 (180deg=-0.0109) USER MOD Set 1.2: A 66 MET CE :methyl 174:sc=-0.000281 (180deg=-0.0539) USER MOD Set 2.1: A 46 SER OG : rot 165:sc= 1.3 USER MOD Set 2.2: A 50 GLN : amide:sc= 0.281 X(o=1.6,f=1.2) USER MOD Set 3.1: A 36 GLN : amide:sc= -2.03! C(o=-2.2!,f=-3.4!) USER MOD Set 3.2: A 81 SER OG : rot 39:sc= -0.142 USER MOD Set 4.1: A 16 MET CE :methyl -146:sc= -3.9! (180deg=-5.01!) USER MOD Set 4.2: A 19 THR OG1 : rot 79:sc= 1.11 USER MOD Set 5.1: A 10 THR OG1 : rot 88:sc= 1.06 USER MOD Set 5.2: A 11 ASN : amide:sc= 0.372 K(o=1.4,f=-0.63) USER MOD Single : A 13 ASN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 17 THR OG1 : rot 51:sc= 1.22 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 1.24 K(o=1.2,f=-0.16) USER MOD Single : A 21 ASN : amide:sc= -0.0249 K(o=-0.025,f=-1.4!) USER MOD Single : A 24 GLN : amide:sc= -0.0712 K(o=-0.071,f=-3.1!) USER MOD Single : A 27 SER OG : rot 92:sc= 0.427 USER MOD Single : A 29 SER OG : rot -83:sc= 1.56 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 37 MET CE :methyl 169:sc= -0.104 (180deg=-0.419) USER MOD Single : A 40 MET CE :methyl -179:sc= -0.882 (180deg=-0.892) USER MOD Single : A 42 MET CE :methyl 158:sc= -0.19 (180deg=-0.772) USER MOD Single : A 43 MET CE :methyl -137:sc= -0.284 (180deg=-1.84) USER MOD Single : A 48 ASN : amide:sc= 0.509 K(o=0.51,f=-6.5!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 141:sc= -1.8 (180deg=-3.73!) USER MOD Single : A 52 GLN : amide:sc= 0.252 X(o=0.25,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.6) USER MOD Single : A 61 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.059) USER MOD Single : A 67 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.4) USER MOD Single : A 68 THR OG1 : rot -17:sc= 1.13 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot -111:sc= -0.277 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 1.12 K(o=1.1,f=-0.0001) USER MOD Single : A 92 THR OG1 : rot 94:sc= 1.23 USER MOD Single : A 100 SER OG : rot -82:sc= 0.941 USER MOD Single : A 101 MET CE :methyl -179:sc= -0.405 (180deg=-0.405) USER MOD Single : A 102 MET CE :methyl 141:sc= -0.46 (180deg=-1.47!) USER MOD Single : A 103 GLN : amide:sc= -0.362 K(o=-0.36,f=-1.1) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= -0.0258 USER MOD Single : A 110 ASN : amide:sc= -0.295 X(o=-0.29,f=-0.098) USER MOD Single : A 113 THR OG1 : rot -94:sc= 1.26 USER MOD Single : A 114 ASN : amide:sc= -0.494 K(o=-0.49,f=-3.4!) USER MOD Single : A 117 MET CE :methyl 154:sc= -2.92 (180deg=-4.7!) USER MOD Single : A 118 GLN : amide:sc= -0.225 K(o=-0.22,f=-0.9) USER MOD Single : A 121 LYS NZ :NH3+ 164:sc= -3.54! (180deg=-4.55!) USER MOD Single : A 122 MET CE :methyl 141:sc= -0.125 (180deg=-0.805) USER MOD Single : A 124 SER OG : rot 75:sc= 0.989 USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 8 8.072 8.465 -3.964 1.00 0.00 N ATOM 82 CA ILE A 8 7.485 9.463 -3.079 1.00 0.00 C ATOM 83 C ILE A 8 7.032 10.679 -3.884 1.00 0.00 C ATOM 84 O ILE A 8 6.271 11.518 -3.404 1.00 0.00 O ATOM 85 CB ILE A 8 8.473 9.900 -1.970 1.00 0.00 C ATOM 86 CG1 ILE A 8 7.784 10.838 -0.972 1.00 0.00 C ATOM 87 CG2 ILE A 8 9.698 10.571 -2.579 1.00 0.00 C ATOM 88 CD1 ILE A 8 8.610 11.146 0.258 1.00 0.00 C ATOM 0 HA ILE A 8 6.622 9.006 -2.594 1.00 0.00 H new ATOM 0 HB ILE A 8 8.801 9.010 -1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.541 11.773 -1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.841 10.390 -0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.381 10.871 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.202 9.872 -3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.388 11.451 -3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.052 11.815 0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.831 10.220 0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 8 9.543 11.625 -0.041 1.00 0.00 H new ATOM 100 N TRP A 9 7.485 10.749 -5.129 1.00 0.00 N ATOM 101 CA TRP A 9 7.114 11.842 -6.020 1.00 0.00 C ATOM 102 C TRP A 9 5.755 11.546 -6.655 1.00 0.00 C ATOM 103 O TRP A 9 5.583 11.631 -7.869 1.00 0.00 O ATOM 104 CB TRP A 9 8.187 12.047 -7.099 1.00 0.00 C ATOM 105 CG TRP A 9 9.565 12.271 -6.542 1.00 0.00 C ATOM 106 CD1 TRP A 9 10.580 11.360 -6.475 1.00 0.00 C ATOM 107 CD2 TRP A 9 10.077 13.482 -5.972 1.00 0.00 C ATOM 108 NE1 TRP A 9 11.689 11.930 -5.896 1.00 0.00 N ATOM 109 CE2 TRP A 9 11.406 13.232 -5.578 1.00 0.00 C ATOM 110 CE3 TRP A 9 9.544 14.752 -5.756 1.00 0.00 C ATOM 111 CZ2 TRP A 9 12.203 14.207 -4.980 1.00 0.00 C ATOM 112 CZ3 TRP A 9 10.336 15.720 -5.164 1.00 0.00 C ATOM 113 CH2 TRP A 9 11.653 15.443 -4.781 1.00 0.00 C ATOM 0 H TRP A 9 8.111 10.060 -5.546 1.00 0.00 H new ATOM 0 HA TRP A 9 7.041 12.764 -5.443 1.00 0.00 H new ATOM 0 HB2 TRP A 9 8.205 11.174 -7.752 1.00 0.00 H new ATOM 0 HB3 TRP A 9 7.911 12.901 -7.717 1.00 0.00 H new ATOM 0 HD1 TRP A 9 10.520 10.340 -6.826 1.00 0.00 H new ATOM 0 HE1 TRP A 9 12.579 11.459 -5.730 1.00 0.00 H new ATOM 0 HE3 TRP A 9 8.528 14.977 -6.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 13.220 13.994 -4.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 9.931 16.707 -4.995 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.246 16.219 -4.320 1.00 0.00 H new ATOM 124 N THR A 10 4.800 11.189 -5.811 1.00 0.00 N ATOM 125 CA THR A 10 3.462 10.835 -6.251 1.00 0.00 C ATOM 126 C THR A 10 2.581 12.071 -6.355 1.00 0.00 C ATOM 127 O THR A 10 1.842 12.248 -7.326 1.00 0.00 O ATOM 128 CB THR A 10 2.818 9.836 -5.264 1.00 0.00 C ATOM 129 OG1 THR A 10 2.995 10.303 -3.915 1.00 0.00 O ATOM 130 CG2 THR A 10 3.435 8.454 -5.403 1.00 0.00 C ATOM 0 H THR A 10 4.932 11.137 -4.801 1.00 0.00 H new ATOM 0 HA THR A 10 3.546 10.374 -7.235 1.00 0.00 H new ATOM 0 HB THR A 10 1.755 9.766 -5.497 1.00 0.00 H new ATOM 0 HG1 THR A 10 2.254 10.897 -3.675 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.962 7.772 -4.696 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.282 8.088 -6.418 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.503 8.510 -5.194 1.00 0.00 H new ATOM 138 N ASN A 11 2.681 12.926 -5.348 1.00 0.00 N ATOM 139 CA ASN A 11 1.847 14.103 -5.248 1.00 0.00 C ATOM 140 C ASN A 11 2.581 15.199 -4.481 1.00 0.00 C ATOM 141 O ASN A 11 3.413 14.904 -3.620 1.00 0.00 O ATOM 142 CB ASN A 11 0.527 13.744 -4.562 1.00 0.00 C ATOM 143 CG ASN A 11 0.708 13.211 -3.155 1.00 0.00 C ATOM 144 OD1 ASN A 11 0.999 12.030 -2.962 1.00 0.00 O ATOM 145 ND2 ASN A 11 0.491 14.061 -2.162 1.00 0.00 N ATOM 0 H ASN A 11 3.344 12.819 -4.580 1.00 0.00 H new ATOM 0 HA ASN A 11 1.626 14.477 -6.247 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.109 14.628 -4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.005 12.998 -5.161 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.563 13.745 -1.195 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.252 15.032 -2.365 1.00 0.00 H new ATOM 152 N PRO A 12 2.302 16.470 -4.817 1.00 0.00 N ATOM 153 CA PRO A 12 2.939 17.643 -4.201 1.00 0.00 C ATOM 154 C PRO A 12 3.109 17.536 -2.687 1.00 0.00 C ATOM 155 O PRO A 12 4.218 17.677 -2.167 1.00 0.00 O ATOM 156 CB PRO A 12 1.972 18.772 -4.544 1.00 0.00 C ATOM 157 CG PRO A 12 1.374 18.372 -5.847 1.00 0.00 C ATOM 158 CD PRO A 12 1.344 16.865 -5.866 1.00 0.00 C ATOM 0 HA PRO A 12 3.955 17.779 -4.570 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.208 18.886 -3.775 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.490 19.728 -4.623 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.369 18.780 -5.953 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.964 18.758 -6.678 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.345 16.484 -5.656 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.636 16.473 -6.840 1.00 0.00 H new ATOM 166 N ASN A 13 2.009 17.273 -1.991 1.00 0.00 N ATOM 167 CA ASN A 13 2.007 17.236 -0.529 1.00 0.00 C ATOM 168 C ASN A 13 2.979 16.184 0.002 1.00 0.00 C ATOM 169 O ASN A 13 3.641 16.396 1.015 1.00 0.00 O ATOM 170 CB ASN A 13 0.593 16.961 -0.005 1.00 0.00 C ATOM 171 CG ASN A 13 0.515 16.983 1.513 1.00 0.00 C ATOM 172 OD1 ASN A 13 0.345 18.043 2.117 1.00 0.00 O ATOM 173 ND2 ASN A 13 0.617 15.818 2.137 1.00 0.00 N ATOM 0 H ASN A 13 1.102 17.081 -2.416 1.00 0.00 H new ATOM 0 HA ASN A 13 2.336 18.211 -0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.092 17.706 -0.411 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.258 15.989 -0.368 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.555 15.777 3.154 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.757 14.962 1.600 1.00 0.00 H new ATOM 180 N ALA A 14 3.078 15.067 -0.704 1.00 0.00 N ATOM 181 CA ALA A 14 3.912 13.952 -0.274 1.00 0.00 C ATOM 182 C ALA A 14 5.389 14.338 -0.233 1.00 0.00 C ATOM 183 O ALA A 14 6.065 14.170 0.783 1.00 0.00 O ATOM 184 CB ALA A 14 3.717 12.773 -1.208 1.00 0.00 C ATOM 0 H ALA A 14 2.587 14.908 -1.584 1.00 0.00 H new ATOM 0 HA ALA A 14 3.608 13.677 0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.343 11.943 -0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.671 12.466 -1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.997 13.061 -2.221 1.00 0.00 H new ATOM 190 N ALA A 15 5.867 14.880 -1.338 1.00 0.00 N ATOM 191 CA ALA A 15 7.283 15.164 -1.506 1.00 0.00 C ATOM 192 C ALA A 15 7.687 16.438 -0.779 1.00 0.00 C ATOM 193 O ALA A 15 8.779 16.524 -0.217 1.00 0.00 O ATOM 194 CB ALA A 15 7.625 15.264 -2.981 1.00 0.00 C ATOM 0 H ALA A 15 5.291 15.135 -2.140 1.00 0.00 H new ATOM 0 HA ALA A 15 7.845 14.340 -1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.688 15.477 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.389 14.321 -3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.044 16.066 -3.436 1.00 0.00 H new ATOM 200 N MET A 16 6.806 17.424 -0.777 1.00 0.00 N ATOM 201 CA MET A 16 7.090 18.681 -0.105 1.00 0.00 C ATOM 202 C MET A 16 7.261 18.465 1.394 1.00 0.00 C ATOM 203 O MET A 16 8.043 19.164 2.041 1.00 0.00 O ATOM 204 CB MET A 16 5.980 19.695 -0.382 1.00 0.00 C ATOM 205 CG MET A 16 6.395 20.855 -1.275 1.00 0.00 C ATOM 206 SD MET A 16 7.641 21.937 -0.535 1.00 0.00 S ATOM 207 CE MET A 16 9.159 21.295 -1.245 1.00 0.00 C ATOM 0 H MET A 16 5.893 17.380 -1.230 1.00 0.00 H new ATOM 0 HA MET A 16 8.026 19.078 -0.498 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.140 19.178 -0.846 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.624 20.093 0.568 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.783 20.458 -2.213 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.513 21.447 -1.520 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.967 21.387 -0.519 1.00 0.00 H new ATOM 0 HE2 MET A 16 9.023 20.245 -1.506 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.410 21.862 -2.141 1.00 0.00 H new ATOM 217 N THR A 17 6.563 17.469 1.928 1.00 0.00 N ATOM 218 CA THR A 17 6.657 17.134 3.342 1.00 0.00 C ATOM 219 C THR A 17 8.096 16.815 3.744 1.00 0.00 C ATOM 220 O THR A 17 8.644 17.433 4.661 1.00 0.00 O ATOM 221 CB THR A 17 5.747 15.936 3.692 1.00 0.00 C ATOM 222 OG1 THR A 17 4.374 16.297 3.508 1.00 0.00 O ATOM 223 CG2 THR A 17 5.964 15.476 5.132 1.00 0.00 C ATOM 0 H THR A 17 5.923 16.877 1.399 1.00 0.00 H new ATOM 0 HA THR A 17 6.323 18.009 3.900 1.00 0.00 H new ATOM 0 HB THR A 17 6.005 15.113 3.026 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.254 16.685 2.616 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.309 14.632 5.347 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.002 15.172 5.264 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.736 16.295 5.814 1.00 0.00 H new ATOM 231 N MET A 18 8.721 15.875 3.041 1.00 0.00 N ATOM 232 CA MET A 18 10.080 15.458 3.381 1.00 0.00 C ATOM 233 C MET A 18 11.064 16.605 3.171 1.00 0.00 C ATOM 234 O MET A 18 12.006 16.774 3.945 1.00 0.00 O ATOM 235 CB MET A 18 10.512 14.243 2.550 1.00 0.00 C ATOM 236 CG MET A 18 10.691 14.540 1.071 1.00 0.00 C ATOM 237 SD MET A 18 11.400 13.164 0.156 1.00 0.00 S ATOM 238 CE MET A 18 11.468 13.878 -1.481 1.00 0.00 C ATOM 0 H MET A 18 8.314 15.391 2.240 1.00 0.00 H new ATOM 0 HA MET A 18 10.084 15.175 4.434 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.450 13.857 2.949 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.769 13.454 2.665 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.724 14.796 0.638 1.00 0.00 H new ATOM 0 HG3 MET A 18 11.333 15.414 0.957 1.00 0.00 H new ATOM 0 HE1 MET A 18 11.886 13.152 -2.178 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.462 14.150 -1.801 1.00 0.00 H new ATOM 0 HE3 MET A 18 12.097 14.768 -1.464 1.00 0.00 H new ATOM 248 N THR A 19 10.822 17.398 2.135 1.00 0.00 N ATOM 249 CA THR A 19 11.693 18.509 1.792 1.00 0.00 C ATOM 250 C THR A 19 11.703 19.563 2.905 1.00 0.00 C ATOM 251 O THR A 19 12.760 20.053 3.300 1.00 0.00 O ATOM 252 CB THR A 19 11.238 19.157 0.471 1.00 0.00 C ATOM 253 OG1 THR A 19 10.932 18.139 -0.495 1.00 0.00 O ATOM 254 CG2 THR A 19 12.315 20.066 -0.094 1.00 0.00 C ATOM 0 H THR A 19 10.021 17.288 1.514 1.00 0.00 H new ATOM 0 HA THR A 19 12.704 18.118 1.673 1.00 0.00 H new ATOM 0 HB THR A 19 10.350 19.753 0.681 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.043 17.770 -0.311 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.965 20.509 -1.026 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.537 20.857 0.623 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.218 19.486 -0.285 1.00 0.00 H new ATOM 262 N ASN A 20 10.519 19.888 3.424 1.00 0.00 N ATOM 263 CA ASN A 20 10.393 20.885 4.483 1.00 0.00 C ATOM 264 C ASN A 20 10.964 20.368 5.795 1.00 0.00 C ATOM 265 O ASN A 20 11.643 21.099 6.520 1.00 0.00 O ATOM 266 CB ASN A 20 8.931 21.293 4.687 1.00 0.00 C ATOM 267 CG ASN A 20 8.446 22.297 3.659 1.00 0.00 C ATOM 268 OD1 ASN A 20 8.587 23.506 3.840 1.00 0.00 O ATOM 269 ND2 ASN A 20 7.857 21.810 2.581 1.00 0.00 N ATOM 0 H ASN A 20 9.635 19.475 3.127 1.00 0.00 H new ATOM 0 HA ASN A 20 10.963 21.760 4.170 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.302 20.404 4.643 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.814 21.717 5.684 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.501 22.443 1.864 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.758 20.801 2.465 1.00 0.00 H new ATOM 276 N ASN A 21 10.701 19.102 6.094 1.00 0.00 N ATOM 277 CA ASN A 21 11.175 18.502 7.335 1.00 0.00 C ATOM 278 C ASN A 21 12.698 18.419 7.359 1.00 0.00 C ATOM 279 O ASN A 21 13.314 18.491 8.421 1.00 0.00 O ATOM 280 CB ASN A 21 10.569 17.115 7.535 1.00 0.00 C ATOM 281 CG ASN A 21 9.127 17.164 7.997 1.00 0.00 C ATOM 282 OD1 ASN A 21 8.706 18.104 8.668 1.00 0.00 O ATOM 283 ND2 ASN A 21 8.364 16.140 7.647 1.00 0.00 N ATOM 0 H ASN A 21 10.164 18.473 5.497 1.00 0.00 H new ATOM 0 HA ASN A 21 10.853 19.144 8.155 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.627 16.560 6.599 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.162 16.567 8.267 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.386 16.111 7.935 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.754 15.380 7.089 1.00 0.00 H new ATOM 290 N LEU A 22 13.298 18.279 6.186 1.00 0.00 N ATOM 291 CA LEU A 22 14.748 18.288 6.068 1.00 0.00 C ATOM 292 C LEU A 22 15.298 19.630 6.533 1.00 0.00 C ATOM 293 O LEU A 22 16.248 19.693 7.317 1.00 0.00 O ATOM 294 CB LEU A 22 15.166 18.021 4.618 1.00 0.00 C ATOM 295 CG LEU A 22 16.658 18.206 4.318 1.00 0.00 C ATOM 296 CD1 LEU A 22 17.504 17.243 5.136 1.00 0.00 C ATOM 297 CD2 LEU A 22 16.928 18.025 2.832 1.00 0.00 C ATOM 0 H LEU A 22 12.803 18.158 5.303 1.00 0.00 H new ATOM 0 HA LEU A 22 15.157 17.499 6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 22 14.885 17.000 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.597 18.684 3.966 1.00 0.00 H new ATOM 0 HG LEU A 22 16.936 19.221 4.601 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.558 17.396 4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.337 17.424 6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.225 16.218 4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 22 17.992 18.160 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.627 17.023 2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.359 18.763 2.266 1.00 0.00 H new ATOM 309 N VAL A 23 14.666 20.699 6.064 1.00 0.00 N ATOM 310 CA VAL A 23 15.071 22.052 6.412 1.00 0.00 C ATOM 311 C VAL A 23 14.892 22.306 7.906 1.00 0.00 C ATOM 312 O VAL A 23 15.808 22.781 8.573 1.00 0.00 O ATOM 313 CB VAL A 23 14.264 23.104 5.619 1.00 0.00 C ATOM 314 CG1 VAL A 23 14.755 24.510 5.932 1.00 0.00 C ATOM 315 CG2 VAL A 23 14.336 22.827 4.124 1.00 0.00 C ATOM 0 H VAL A 23 13.864 20.652 5.436 1.00 0.00 H new ATOM 0 HA VAL A 23 16.125 22.147 6.152 1.00 0.00 H new ATOM 0 HB VAL A 23 13.221 23.033 5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.172 25.234 5.362 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.638 24.708 6.998 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.807 24.597 5.661 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.760 23.580 3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.375 22.862 3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.924 21.839 3.917 1.00 0.00 H new ATOM 325 N GLN A 24 13.722 21.956 8.434 1.00 0.00 N ATOM 326 CA GLN A 24 13.398 22.247 9.830 1.00 0.00 C ATOM 327 C GLN A 24 14.303 21.460 10.780 1.00 0.00 C ATOM 328 O GLN A 24 14.564 21.890 11.904 1.00 0.00 O ATOM 329 CB GLN A 24 11.908 21.974 10.114 1.00 0.00 C ATOM 330 CG GLN A 24 11.484 20.517 10.012 1.00 0.00 C ATOM 331 CD GLN A 24 11.471 19.809 11.352 1.00 0.00 C ATOM 332 OE1 GLN A 24 12.468 19.224 11.770 1.00 0.00 O ATOM 333 NE2 GLN A 24 10.335 19.848 12.029 1.00 0.00 N ATOM 0 H GLN A 24 12.985 21.473 7.920 1.00 0.00 H new ATOM 0 HA GLN A 24 13.581 23.307 10.008 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.674 22.334 11.116 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.309 22.559 9.417 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.489 20.464 9.570 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.161 19.994 9.337 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.530 20.345 11.647 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.264 19.381 12.933 1.00 0.00 H new ATOM 342 N CYS A 25 14.794 20.319 10.314 1.00 0.00 N ATOM 343 CA CYS A 25 15.710 19.504 11.101 1.00 0.00 C ATOM 344 C CYS A 25 17.113 20.103 11.069 1.00 0.00 C ATOM 345 O CYS A 25 17.726 20.340 12.112 1.00 0.00 O ATOM 346 CB CYS A 25 15.739 18.066 10.565 1.00 0.00 C ATOM 347 SG CYS A 25 16.863 16.944 11.469 1.00 0.00 S ATOM 0 H CYS A 25 14.573 19.937 9.394 1.00 0.00 H new ATOM 0 HA CYS A 25 15.359 19.487 12.133 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.729 17.657 10.603 1.00 0.00 H new ATOM 0 HB3 CYS A 25 16.034 18.088 9.516 1.00 0.00 H new ATOM 352 N ALA A 26 17.594 20.386 9.863 1.00 0.00 N ATOM 353 CA ALA A 26 18.962 20.846 9.661 1.00 0.00 C ATOM 354 C ALA A 26 19.176 22.267 10.183 1.00 0.00 C ATOM 355 O ALA A 26 20.268 22.604 10.640 1.00 0.00 O ATOM 356 CB ALA A 26 19.326 20.760 8.189 1.00 0.00 C ATOM 0 H ALA A 26 17.050 20.304 9.004 1.00 0.00 H new ATOM 0 HA ALA A 26 19.618 20.192 10.235 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.350 21.106 8.047 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.242 19.726 7.853 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.648 21.386 7.609 1.00 0.00 H new ATOM 362 N SER A 27 18.138 23.090 10.127 1.00 0.00 N ATOM 363 CA SER A 27 18.235 24.472 10.590 1.00 0.00 C ATOM 364 C SER A 27 18.462 24.537 12.098 1.00 0.00 C ATOM 365 O SER A 27 19.063 25.481 12.606 1.00 0.00 O ATOM 366 CB SER A 27 16.970 25.247 10.220 1.00 0.00 C ATOM 367 OG SER A 27 16.762 25.244 8.819 1.00 0.00 O ATOM 0 H SER A 27 17.220 22.828 9.767 1.00 0.00 H new ATOM 0 HA SER A 27 19.093 24.929 10.096 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.109 24.803 10.720 1.00 0.00 H new ATOM 0 HB3 SER A 27 17.051 26.274 10.577 1.00 0.00 H new ATOM 0 HG SER A 27 16.189 24.488 8.575 1.00 0.00 H new ATOM 373 N ARG A 28 17.993 23.521 12.810 1.00 0.00 N ATOM 374 CA ARG A 28 18.096 23.502 14.262 1.00 0.00 C ATOM 375 C ARG A 28 19.115 22.464 14.711 1.00 0.00 C ATOM 376 O ARG A 28 19.077 21.986 15.845 1.00 0.00 O ATOM 377 CB ARG A 28 16.729 23.201 14.882 1.00 0.00 C ATOM 378 CG ARG A 28 15.646 24.189 14.481 1.00 0.00 C ATOM 379 CD ARG A 28 15.977 25.604 14.934 1.00 0.00 C ATOM 380 NE ARG A 28 14.949 26.564 14.530 1.00 0.00 N ATOM 381 CZ ARG A 28 15.191 27.845 14.243 1.00 0.00 C ATOM 382 NH1 ARG A 28 16.415 28.345 14.382 1.00 0.00 N ATOM 383 NH2 ARG A 28 14.201 28.630 13.837 1.00 0.00 N ATOM 0 H ARG A 28 17.539 22.702 12.407 1.00 0.00 H new ATOM 0 HA ARG A 28 18.430 24.483 14.599 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.420 22.198 14.589 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.824 23.201 15.968 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.522 24.173 13.398 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.695 23.881 14.915 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.083 25.622 16.019 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.937 25.903 14.515 1.00 0.00 H new ATOM 0 HE ARG A 28 13.986 26.233 14.463 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.175 27.749 14.709 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.594 29.325 14.161 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.257 28.254 13.745 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.384 29.609 13.617 1.00 0.00 H new ATOM 397 N SER A 29 20.022 22.112 13.813 1.00 0.00 N ATOM 398 CA SER A 29 21.061 21.137 14.118 1.00 0.00 C ATOM 399 C SER A 29 22.102 21.733 15.060 1.00 0.00 C ATOM 400 O SER A 29 22.608 21.057 15.955 1.00 0.00 O ATOM 401 CB SER A 29 21.739 20.673 12.829 1.00 0.00 C ATOM 402 OG SER A 29 22.286 21.777 12.116 1.00 0.00 O ATOM 0 H SER A 29 20.061 22.487 12.865 1.00 0.00 H new ATOM 0 HA SER A 29 20.595 20.283 14.609 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.529 19.960 13.065 1.00 0.00 H new ATOM 0 HB3 SER A 29 21.017 20.151 12.201 1.00 0.00 H new ATOM 0 HG SER A 29 21.584 22.198 11.577 1.00 0.00 H new ATOM 408 N GLY A 30 22.397 23.012 14.857 1.00 0.00 N ATOM 409 CA GLY A 30 23.471 23.653 15.587 1.00 0.00 C ATOM 410 C GLY A 30 24.790 23.504 14.857 1.00 0.00 C ATOM 411 O GLY A 30 25.840 23.923 15.345 1.00 0.00 O ATOM 0 H GLY A 30 21.909 23.617 14.197 1.00 0.00 H new ATOM 0 HA2 GLY A 30 23.243 24.710 15.721 1.00 0.00 H new ATOM 0 HA3 GLY A 30 23.551 23.215 16.582 1.00 0.00 H new ATOM 415 N VAL A 31 24.723 22.899 13.678 1.00 0.00 N ATOM 416 CA VAL A 31 25.905 22.649 12.866 1.00 0.00 C ATOM 417 C VAL A 31 25.994 23.642 11.710 1.00 0.00 C ATOM 418 O VAL A 31 27.056 24.196 11.435 1.00 0.00 O ATOM 419 CB VAL A 31 25.893 21.212 12.299 1.00 0.00 C ATOM 420 CG1 VAL A 31 27.128 20.954 11.449 1.00 0.00 C ATOM 421 CG2 VAL A 31 25.795 20.191 13.422 1.00 0.00 C ATOM 0 H VAL A 31 23.853 22.570 13.260 1.00 0.00 H new ATOM 0 HA VAL A 31 26.774 22.772 13.512 1.00 0.00 H new ATOM 0 HB VAL A 31 25.014 21.108 11.663 1.00 0.00 H new ATOM 0 HG11 VAL A 31 27.097 19.936 11.061 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.151 21.658 10.618 1.00 0.00 H new ATOM 0 HG13 VAL A 31 28.023 21.083 12.058 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.788 19.186 13.000 1.00 0.00 H new ATOM 0 HG22 VAL A 31 26.651 20.299 14.088 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.875 20.355 13.984 1.00 0.00 H new ATOM 431 N LEU A 32 24.867 23.866 11.044 1.00 0.00 N ATOM 432 CA LEU A 32 24.834 24.737 9.873 1.00 0.00 C ATOM 433 C LEU A 32 24.852 26.206 10.282 1.00 0.00 C ATOM 434 O LEU A 32 24.894 26.536 11.468 1.00 0.00 O ATOM 435 CB LEU A 32 23.588 24.463 9.026 1.00 0.00 C ATOM 436 CG LEU A 32 23.357 23.004 8.637 1.00 0.00 C ATOM 437 CD1 LEU A 32 22.193 22.899 7.669 1.00 0.00 C ATOM 438 CD2 LEU A 32 24.609 22.389 8.032 1.00 0.00 C ATOM 0 H LEU A 32 23.966 23.458 11.293 1.00 0.00 H new ATOM 0 HA LEU A 32 25.724 24.523 9.282 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.714 24.816 9.574 1.00 0.00 H new ATOM 0 HB3 LEU A 32 23.654 25.057 8.114 1.00 0.00 H new ATOM 0 HG LEU A 32 23.116 22.446 9.542 1.00 0.00 H new ATOM 0 HD11 LEU A 32 22.038 21.855 7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 32 21.291 23.290 8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 32 22.413 23.477 6.772 1.00 0.00 H new ATOM 0 HD21 LEU A 32 24.412 21.351 7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 32 24.892 22.945 7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 32 25.421 22.430 8.758 1.00 0.00 H new ATOM 450 N THR A 33 24.797 27.081 9.290 1.00 0.00 N ATOM 451 CA THR A 33 24.815 28.512 9.532 1.00 0.00 C ATOM 452 C THR A 33 23.510 29.140 9.050 1.00 0.00 C ATOM 453 O THR A 33 22.733 28.500 8.329 1.00 0.00 O ATOM 454 CB THR A 33 26.028 29.193 8.848 1.00 0.00 C ATOM 455 OG1 THR A 33 26.027 30.600 9.101 1.00 0.00 O ATOM 456 CG2 THR A 33 26.023 28.959 7.348 1.00 0.00 C ATOM 0 H THR A 33 24.739 26.822 8.305 1.00 0.00 H new ATOM 0 HA THR A 33 24.914 28.669 10.606 1.00 0.00 H new ATOM 0 HB THR A 33 26.928 28.746 9.271 1.00 0.00 H new ATOM 0 HG1 THR A 33 26.801 31.012 8.663 1.00 0.00 H new ATOM 0 HG21 THR A 33 26.887 29.450 6.900 1.00 0.00 H new ATOM 0 HG22 THR A 33 26.069 27.889 7.147 1.00 0.00 H new ATOM 0 HG23 THR A 33 25.109 29.370 6.919 1.00 0.00 H new ATOM 464 N ALA A 34 23.281 30.385 9.453 1.00 0.00 N ATOM 465 CA ALA A 34 22.060 31.108 9.117 1.00 0.00 C ATOM 466 C ALA A 34 21.861 31.197 7.608 1.00 0.00 C ATOM 467 O ALA A 34 20.729 31.224 7.126 1.00 0.00 O ATOM 468 CB ALA A 34 22.095 32.500 9.728 1.00 0.00 C ATOM 0 H ALA A 34 23.936 30.921 10.022 1.00 0.00 H new ATOM 0 HA ALA A 34 21.216 30.555 9.530 1.00 0.00 H new ATOM 0 HB1 ALA A 34 21.179 33.033 9.472 1.00 0.00 H new ATOM 0 HB2 ALA A 34 22.177 32.420 10.812 1.00 0.00 H new ATOM 0 HB3 ALA A 34 22.954 33.047 9.339 1.00 0.00 H new ATOM 474 N ASP A 35 22.963 31.229 6.866 1.00 0.00 N ATOM 475 CA ASP A 35 22.896 31.303 5.410 1.00 0.00 C ATOM 476 C ASP A 35 22.410 29.984 4.832 1.00 0.00 C ATOM 477 O ASP A 35 21.481 29.951 4.029 1.00 0.00 O ATOM 478 CB ASP A 35 24.264 31.648 4.817 1.00 0.00 C ATOM 479 CG ASP A 35 24.738 33.026 5.220 1.00 0.00 C ATOM 480 OD1 ASP A 35 25.408 33.145 6.262 1.00 0.00 O ATOM 481 OD2 ASP A 35 24.450 33.997 4.491 1.00 0.00 O ATOM 0 H ASP A 35 23.909 31.205 7.246 1.00 0.00 H new ATOM 0 HA ASP A 35 22.190 32.092 5.148 1.00 0.00 H new ATOM 0 HB2 ASP A 35 24.994 30.907 5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 35 24.211 31.589 3.730 1.00 0.00 H new ATOM 486 N GLN A 36 23.032 28.898 5.271 1.00 0.00 N ATOM 487 CA GLN A 36 22.725 27.568 4.759 1.00 0.00 C ATOM 488 C GLN A 36 21.272 27.187 5.016 1.00 0.00 C ATOM 489 O GLN A 36 20.589 26.697 4.121 1.00 0.00 O ATOM 490 CB GLN A 36 23.658 26.532 5.384 1.00 0.00 C ATOM 491 CG GLN A 36 25.098 26.655 4.914 1.00 0.00 C ATOM 492 CD GLN A 36 26.016 25.672 5.611 1.00 0.00 C ATOM 493 OE1 GLN A 36 25.590 24.598 6.018 1.00 0.00 O ATOM 494 NE2 GLN A 36 27.281 26.031 5.755 1.00 0.00 N ATOM 0 H GLN A 36 23.759 28.913 5.987 1.00 0.00 H new ATOM 0 HA GLN A 36 22.879 27.586 3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 36 23.628 26.634 6.469 1.00 0.00 H new ATOM 0 HB3 GLN A 36 23.290 25.533 5.148 1.00 0.00 H new ATOM 0 HG2 GLN A 36 25.142 26.489 3.838 1.00 0.00 H new ATOM 0 HG3 GLN A 36 25.452 27.670 5.095 1.00 0.00 H new ATOM 0 HE21 GLN A 36 27.598 26.934 5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 36 27.939 25.405 6.218 1.00 0.00 H new ATOM 503 N MET A 37 20.798 27.438 6.233 1.00 0.00 N ATOM 504 CA MET A 37 19.437 27.064 6.610 1.00 0.00 C ATOM 505 C MET A 37 18.409 27.840 5.789 1.00 0.00 C ATOM 506 O MET A 37 17.338 27.324 5.470 1.00 0.00 O ATOM 507 CB MET A 37 19.200 27.291 8.108 1.00 0.00 C ATOM 508 CG MET A 37 19.297 28.743 8.542 1.00 0.00 C ATOM 509 SD MET A 37 18.941 28.981 10.293 1.00 0.00 S ATOM 510 CE MET A 37 20.281 28.064 11.048 1.00 0.00 C ATOM 0 H MET A 37 21.332 27.896 6.972 1.00 0.00 H new ATOM 0 HA MET A 37 19.316 26.002 6.399 1.00 0.00 H new ATOM 0 HB2 MET A 37 18.213 26.911 8.370 1.00 0.00 H new ATOM 0 HB3 MET A 37 19.927 26.706 8.672 1.00 0.00 H new ATOM 0 HG2 MET A 37 20.299 29.114 8.327 1.00 0.00 H new ATOM 0 HG3 MET A 37 18.602 29.340 7.951 1.00 0.00 H new ATOM 0 HE1 MET A 37 20.311 28.278 12.116 1.00 0.00 H new ATOM 0 HE2 MET A 37 20.122 26.996 10.896 1.00 0.00 H new ATOM 0 HE3 MET A 37 21.226 28.359 10.592 1.00 0.00 H new ATOM 520 N ASP A 38 18.747 29.071 5.433 1.00 0.00 N ATOM 521 CA ASP A 38 17.845 29.902 4.647 1.00 0.00 C ATOM 522 C ASP A 38 17.906 29.507 3.179 1.00 0.00 C ATOM 523 O ASP A 38 16.886 29.474 2.488 1.00 0.00 O ATOM 524 CB ASP A 38 18.194 31.382 4.803 1.00 0.00 C ATOM 525 CG ASP A 38 17.220 32.280 4.065 1.00 0.00 C ATOM 526 OD1 ASP A 38 16.136 32.565 4.619 1.00 0.00 O ATOM 527 OD2 ASP A 38 17.527 32.701 2.932 1.00 0.00 O ATOM 0 H ASP A 38 19.633 29.515 5.674 1.00 0.00 H new ATOM 0 HA ASP A 38 16.832 29.744 5.016 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.197 31.644 5.861 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.203 31.557 4.429 1.00 0.00 H new ATOM 532 N ASP A 39 19.108 29.186 2.712 1.00 0.00 N ATOM 533 CA ASP A 39 19.299 28.752 1.332 1.00 0.00 C ATOM 534 C ASP A 39 18.618 27.411 1.096 1.00 0.00 C ATOM 535 O ASP A 39 18.192 27.109 -0.018 1.00 0.00 O ATOM 536 CB ASP A 39 20.788 28.655 0.978 1.00 0.00 C ATOM 537 CG ASP A 39 21.440 30.011 0.777 1.00 0.00 C ATOM 538 OD1 ASP A 39 20.721 31.032 0.734 1.00 0.00 O ATOM 539 OD2 ASP A 39 22.681 30.059 0.652 1.00 0.00 O ATOM 0 H ASP A 39 19.963 29.218 3.267 1.00 0.00 H new ATOM 0 HA ASP A 39 18.844 29.501 0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.310 28.121 1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 39 20.902 28.065 0.069 1.00 0.00 H new ATOM 544 N MET A 40 18.506 26.608 2.149 1.00 0.00 N ATOM 545 CA MET A 40 17.762 25.356 2.073 1.00 0.00 C ATOM 546 C MET A 40 16.282 25.641 1.845 1.00 0.00 C ATOM 547 O MET A 40 15.567 24.838 1.248 1.00 0.00 O ATOM 548 CB MET A 40 17.943 24.517 3.343 1.00 0.00 C ATOM 549 CG MET A 40 19.352 23.975 3.528 1.00 0.00 C ATOM 550 SD MET A 40 19.513 22.939 4.995 1.00 0.00 S ATOM 551 CE MET A 40 18.440 21.572 4.564 1.00 0.00 C ATOM 0 H MET A 40 18.919 26.801 3.061 1.00 0.00 H new ATOM 0 HA MET A 40 18.156 24.784 1.233 1.00 0.00 H new ATOM 0 HB2 MET A 40 17.682 25.125 4.209 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.243 23.682 3.318 1.00 0.00 H new ATOM 0 HG2 MET A 40 19.633 23.397 2.648 1.00 0.00 H new ATOM 0 HG3 MET A 40 20.051 24.808 3.598 1.00 0.00 H new ATOM 0 HE1 MET A 40 18.420 20.853 5.383 1.00 0.00 H new ATOM 0 HE2 MET A 40 17.432 21.944 4.383 1.00 0.00 H new ATOM 0 HE3 MET A 40 18.814 21.086 3.663 1.00 0.00 H new ATOM 561 N GLY A 41 15.836 26.801 2.310 1.00 0.00 N ATOM 562 CA GLY A 41 14.463 27.212 2.093 1.00 0.00 C ATOM 563 C GLY A 41 14.184 27.499 0.632 1.00 0.00 C ATOM 564 O GLY A 41 13.162 27.072 0.096 1.00 0.00 O ATOM 0 H GLY A 41 16.403 27.466 2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.790 26.430 2.444 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.253 28.103 2.685 1.00 0.00 H new ATOM 568 N MET A 42 15.099 28.208 -0.022 1.00 0.00 N ATOM 569 CA MET A 42 14.947 28.510 -1.438 1.00 0.00 C ATOM 570 C MET A 42 15.281 27.280 -2.273 1.00 0.00 C ATOM 571 O MET A 42 14.823 27.140 -3.405 1.00 0.00 O ATOM 572 CB MET A 42 15.814 29.704 -1.854 1.00 0.00 C ATOM 573 CG MET A 42 17.306 29.435 -1.823 1.00 0.00 C ATOM 574 SD MET A 42 18.283 30.885 -2.264 1.00 0.00 S ATOM 575 CE MET A 42 17.848 32.007 -0.935 1.00 0.00 C ATOM 0 H MET A 42 15.947 28.581 0.404 1.00 0.00 H new ATOM 0 HA MET A 42 13.908 28.786 -1.617 1.00 0.00 H new ATOM 0 HB2 MET A 42 15.533 30.008 -2.862 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.595 30.544 -1.195 1.00 0.00 H new ATOM 0 HG2 MET A 42 17.590 29.100 -0.825 1.00 0.00 H new ATOM 0 HG3 MET A 42 17.539 28.622 -2.511 1.00 0.00 H new ATOM 0 HE1 MET A 42 18.624 32.765 -0.830 1.00 0.00 H new ATOM 0 HE2 MET A 42 16.898 32.490 -1.163 1.00 0.00 H new ATOM 0 HE3 MET A 42 17.757 31.449 -0.003 1.00 0.00 H new ATOM 585 N MET A 43 16.080 26.388 -1.698 1.00 0.00 N ATOM 586 CA MET A 43 16.349 25.096 -2.308 1.00 0.00 C ATOM 587 C MET A 43 15.053 24.299 -2.380 1.00 0.00 C ATOM 588 O MET A 43 14.729 23.710 -3.409 1.00 0.00 O ATOM 589 CB MET A 43 17.420 24.343 -1.502 1.00 0.00 C ATOM 590 CG MET A 43 17.735 22.941 -2.004 1.00 0.00 C ATOM 591 SD MET A 43 16.541 21.700 -1.464 1.00 0.00 S ATOM 592 CE MET A 43 16.704 21.802 0.320 1.00 0.00 C ATOM 0 H MET A 43 16.553 26.539 -0.807 1.00 0.00 H new ATOM 0 HA MET A 43 16.732 25.236 -3.319 1.00 0.00 H new ATOM 0 HB2 MET A 43 18.338 24.930 -1.509 1.00 0.00 H new ATOM 0 HB3 MET A 43 17.092 24.276 -0.465 1.00 0.00 H new ATOM 0 HG2 MET A 43 17.768 22.952 -3.093 1.00 0.00 H new ATOM 0 HG3 MET A 43 18.728 22.654 -1.658 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.717 20.797 0.742 1.00 0.00 H new ATOM 0 HE2 MET A 43 17.633 22.314 0.572 1.00 0.00 H new ATOM 0 HE3 MET A 43 15.861 22.357 0.731 1.00 0.00 H new ATOM 602 N ALA A 44 14.301 24.321 -1.284 1.00 0.00 N ATOM 603 CA ALA A 44 13.002 23.666 -1.224 1.00 0.00 C ATOM 604 C ALA A 44 12.041 24.291 -2.230 1.00 0.00 C ATOM 605 O ALA A 44 11.177 23.611 -2.784 1.00 0.00 O ATOM 606 CB ALA A 44 12.430 23.756 0.184 1.00 0.00 C ATOM 0 H ALA A 44 14.573 24.790 -0.420 1.00 0.00 H new ATOM 0 HA ALA A 44 13.132 22.615 -1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.459 23.262 0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.108 23.267 0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.314 24.803 0.463 1.00 0.00 H new ATOM 612 N ASP A 45 12.210 25.589 -2.463 1.00 0.00 N ATOM 613 CA ASP A 45 11.395 26.313 -3.436 1.00 0.00 C ATOM 614 C ASP A 45 11.706 25.830 -4.849 1.00 0.00 C ATOM 615 O ASP A 45 10.839 25.805 -5.718 1.00 0.00 O ATOM 616 CB ASP A 45 11.655 27.817 -3.329 1.00 0.00 C ATOM 617 CG ASP A 45 10.687 28.642 -4.152 1.00 0.00 C ATOM 618 OD1 ASP A 45 9.589 28.945 -3.644 1.00 0.00 O ATOM 619 OD2 ASP A 45 11.029 29.018 -5.294 1.00 0.00 O ATOM 0 H ASP A 45 12.907 26.164 -1.990 1.00 0.00 H new ATOM 0 HA ASP A 45 10.344 26.120 -3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.585 28.119 -2.284 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.673 28.029 -3.655 1.00 0.00 H new ATOM 624 N SER A 46 12.953 25.444 -5.068 1.00 0.00 N ATOM 625 CA SER A 46 13.356 24.865 -6.335 1.00 0.00 C ATOM 626 C SER A 46 12.728 23.478 -6.486 1.00 0.00 C ATOM 627 O SER A 46 12.340 23.068 -7.584 1.00 0.00 O ATOM 628 CB SER A 46 14.888 24.780 -6.408 1.00 0.00 C ATOM 629 OG SER A 46 15.320 24.261 -7.653 1.00 0.00 O ATOM 0 H SER A 46 13.703 25.522 -4.382 1.00 0.00 H new ATOM 0 HA SER A 46 13.009 25.497 -7.152 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.316 25.771 -6.257 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.257 24.147 -5.601 1.00 0.00 H new ATOM 0 HG SER A 46 16.278 24.433 -7.764 1.00 0.00 H new ATOM 635 N VAL A 47 12.598 22.775 -5.365 1.00 0.00 N ATOM 636 CA VAL A 47 12.028 21.437 -5.364 1.00 0.00 C ATOM 637 C VAL A 47 10.547 21.468 -5.714 1.00 0.00 C ATOM 638 O VAL A 47 10.131 20.841 -6.677 1.00 0.00 O ATOM 639 CB VAL A 47 12.209 20.726 -4.006 1.00 0.00 C ATOM 640 CG1 VAL A 47 11.664 19.307 -4.075 1.00 0.00 C ATOM 641 CG2 VAL A 47 13.672 20.715 -3.596 1.00 0.00 C ATOM 0 H VAL A 47 12.881 23.113 -4.445 1.00 0.00 H new ATOM 0 HA VAL A 47 12.571 20.875 -6.124 1.00 0.00 H new ATOM 0 HB VAL A 47 11.648 21.278 -3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.799 18.818 -3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.603 19.336 -4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.200 18.748 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.777 20.209 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.257 20.188 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.033 21.740 -3.507 1.00 0.00 H new ATOM 651 N ASN A 48 9.751 22.212 -4.950 1.00 0.00 N ATOM 652 CA ASN A 48 8.305 22.222 -5.156 1.00 0.00 C ATOM 653 C ASN A 48 7.930 22.859 -6.487 1.00 0.00 C ATOM 654 O ASN A 48 6.877 22.559 -7.047 1.00 0.00 O ATOM 655 CB ASN A 48 7.572 22.904 -3.992 1.00 0.00 C ATOM 656 CG ASN A 48 8.098 24.284 -3.642 1.00 0.00 C ATOM 657 OD1 ASN A 48 8.505 25.049 -4.506 1.00 0.00 O ATOM 658 ND2 ASN A 48 8.102 24.601 -2.355 1.00 0.00 N ATOM 0 H ASN A 48 10.078 22.810 -4.191 1.00 0.00 H new ATOM 0 HA ASN A 48 7.981 21.182 -5.186 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.514 22.984 -4.242 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.644 22.267 -3.110 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.453 25.510 -2.055 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.754 23.935 -1.665 1.00 0.00 H new ATOM 665 N SER A 49 8.797 23.721 -6.993 1.00 0.00 N ATOM 666 CA SER A 49 8.603 24.314 -8.305 1.00 0.00 C ATOM 667 C SER A 49 8.709 23.231 -9.382 1.00 0.00 C ATOM 668 O SER A 49 7.847 23.114 -10.251 1.00 0.00 O ATOM 669 CB SER A 49 9.650 25.412 -8.541 1.00 0.00 C ATOM 670 OG SER A 49 9.310 26.239 -9.641 1.00 0.00 O ATOM 0 H SER A 49 9.644 24.026 -6.513 1.00 0.00 H new ATOM 0 HA SER A 49 7.611 24.763 -8.356 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.744 26.023 -7.643 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.623 24.954 -8.718 1.00 0.00 H new ATOM 0 HG SER A 49 9.999 26.926 -9.759 1.00 0.00 H new ATOM 676 N GLN A 50 9.754 22.416 -9.291 1.00 0.00 N ATOM 677 CA GLN A 50 10.005 21.373 -10.281 1.00 0.00 C ATOM 678 C GLN A 50 9.144 20.136 -10.034 1.00 0.00 C ATOM 679 O GLN A 50 8.684 19.495 -10.977 1.00 0.00 O ATOM 680 CB GLN A 50 11.486 20.989 -10.275 1.00 0.00 C ATOM 681 CG GLN A 50 12.404 22.092 -10.777 1.00 0.00 C ATOM 682 CD GLN A 50 13.869 21.726 -10.661 1.00 0.00 C ATOM 683 OE1 GLN A 50 14.442 21.118 -11.565 1.00 0.00 O ATOM 684 NE2 GLN A 50 14.490 22.110 -9.557 1.00 0.00 N ATOM 0 H GLN A 50 10.443 22.457 -8.540 1.00 0.00 H new ATOM 0 HA GLN A 50 9.736 21.774 -11.258 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.778 20.719 -9.260 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.625 20.103 -10.894 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.169 22.310 -11.819 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.215 23.004 -10.210 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.978 22.612 -8.832 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.481 21.904 -9.431 1.00 0.00 H new ATOM 693 N MET A 51 8.929 19.810 -8.765 1.00 0.00 N ATOM 694 CA MET A 51 8.180 18.619 -8.374 1.00 0.00 C ATOM 695 C MET A 51 6.740 18.660 -8.882 1.00 0.00 C ATOM 696 O MET A 51 6.257 17.691 -9.465 1.00 0.00 O ATOM 697 CB MET A 51 8.210 18.462 -6.849 1.00 0.00 C ATOM 698 CG MET A 51 7.310 17.359 -6.320 1.00 0.00 C ATOM 699 SD MET A 51 5.790 17.992 -5.585 1.00 0.00 S ATOM 700 CE MET A 51 6.435 18.855 -4.153 1.00 0.00 C ATOM 0 H MET A 51 9.268 20.363 -7.978 1.00 0.00 H new ATOM 0 HA MET A 51 8.659 17.755 -8.834 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.235 18.262 -6.536 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.916 19.407 -6.392 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.059 16.679 -7.134 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.854 16.778 -5.575 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.880 19.781 -4.006 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.330 18.224 -3.270 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.489 19.085 -4.311 1.00 0.00 H new ATOM 710 N GLN A 52 6.065 19.784 -8.680 1.00 0.00 N ATOM 711 CA GLN A 52 4.673 19.909 -9.098 1.00 0.00 C ATOM 712 C GLN A 52 4.564 19.908 -10.616 1.00 0.00 C ATOM 713 O GLN A 52 3.558 19.473 -11.178 1.00 0.00 O ATOM 714 CB GLN A 52 4.046 21.183 -8.536 1.00 0.00 C ATOM 715 CG GLN A 52 3.980 21.210 -7.022 1.00 0.00 C ATOM 716 CD GLN A 52 3.279 22.443 -6.500 1.00 0.00 C ATOM 717 OE1 GLN A 52 2.063 22.444 -6.300 1.00 0.00 O ATOM 718 NE2 GLN A 52 4.038 23.505 -6.289 1.00 0.00 N ATOM 0 H GLN A 52 6.453 20.615 -8.234 1.00 0.00 H new ATOM 0 HA GLN A 52 4.131 19.050 -8.704 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.619 22.043 -8.882 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.038 21.290 -8.937 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.459 20.321 -6.667 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.991 21.170 -6.616 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.041 23.459 -6.468 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.620 24.370 -5.947 1.00 0.00 H new ATOM 727 N LYS A 53 5.607 20.388 -11.278 1.00 0.00 N ATOM 728 CA LYS A 53 5.617 20.475 -12.724 1.00 0.00 C ATOM 729 C LYS A 53 6.269 19.250 -13.354 1.00 0.00 C ATOM 730 O LYS A 53 6.517 19.218 -14.562 1.00 0.00 O ATOM 731 CB LYS A 53 6.326 21.751 -13.146 1.00 0.00 C ATOM 732 CG LYS A 53 5.602 22.996 -12.668 1.00 0.00 C ATOM 733 CD LYS A 53 6.398 24.251 -12.943 1.00 0.00 C ATOM 734 CE LYS A 53 6.742 24.375 -14.413 1.00 0.00 C ATOM 735 NZ LYS A 53 7.320 25.703 -14.732 1.00 0.00 N ATOM 0 H LYS A 53 6.460 20.724 -10.830 1.00 0.00 H new ATOM 0 HA LYS A 53 4.587 20.503 -13.080 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.341 21.749 -12.749 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.409 21.776 -14.233 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.633 23.065 -13.162 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.409 22.916 -11.598 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.826 25.123 -12.627 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.314 24.239 -12.353 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.451 23.594 -14.688 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.845 24.216 -15.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.543 25.750 -15.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.633 26.447 -14.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.190 25.845 -14.180 1.00 0.00 H new ATOM 749 N MET A 54 6.542 18.241 -12.535 1.00 0.00 N ATOM 750 CA MET A 54 7.032 16.966 -13.040 1.00 0.00 C ATOM 751 C MET A 54 5.856 16.178 -13.608 1.00 0.00 C ATOM 752 O MET A 54 6.020 15.325 -14.481 1.00 0.00 O ATOM 753 CB MET A 54 7.720 16.157 -11.933 1.00 0.00 C ATOM 754 CG MET A 54 8.492 14.952 -12.460 1.00 0.00 C ATOM 755 SD MET A 54 8.918 13.746 -11.182 1.00 0.00 S ATOM 756 CE MET A 54 9.923 14.709 -10.065 1.00 0.00 C ATOM 0 H MET A 54 6.433 18.281 -11.522 1.00 0.00 H new ATOM 0 HA MET A 54 7.770 17.155 -13.820 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.403 16.808 -11.388 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.969 15.816 -11.221 1.00 0.00 H new ATOM 0 HG2 MET A 54 7.897 14.459 -13.229 1.00 0.00 H new ATOM 0 HG3 MET A 54 9.407 15.299 -12.939 1.00 0.00 H new ATOM 0 HE1 MET A 54 10.292 14.069 -9.264 1.00 0.00 H new ATOM 0 HE2 MET A 54 10.767 15.133 -10.609 1.00 0.00 H new ATOM 0 HE3 MET A 54 9.324 15.514 -9.639 1.00 0.00 H new ATOM 766 N GLY A 55 4.668 16.497 -13.104 1.00 0.00 N ATOM 767 CA GLY A 55 3.460 15.847 -13.558 1.00 0.00 C ATOM 768 C GLY A 55 2.968 14.813 -12.570 1.00 0.00 C ATOM 769 O GLY A 55 3.749 13.989 -12.098 1.00 0.00 O ATOM 0 H GLY A 55 4.524 17.202 -12.382 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.683 16.595 -13.717 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.645 15.370 -14.520 1.00 0.00 H new ATOM 773 N PRO A 56 1.672 14.841 -12.217 1.00 0.00 N ATOM 774 CA PRO A 56 1.082 13.843 -11.325 1.00 0.00 C ATOM 775 C PRO A 56 1.181 12.454 -11.933 1.00 0.00 C ATOM 776 O PRO A 56 0.708 12.221 -13.046 1.00 0.00 O ATOM 777 CB PRO A 56 -0.378 14.283 -11.189 1.00 0.00 C ATOM 778 CG PRO A 56 -0.626 15.146 -12.375 1.00 0.00 C ATOM 779 CD PRO A 56 0.679 15.831 -12.664 1.00 0.00 C ATOM 0 HA PRO A 56 1.589 13.785 -10.362 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.050 13.425 -11.176 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.542 14.830 -10.260 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.953 14.552 -13.229 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.412 15.873 -12.172 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.788 16.064 -13.723 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.772 16.771 -12.120 1.00 0.00 H new ATOM 787 N ASN A 57 1.796 11.544 -11.190 1.00 0.00 N ATOM 788 CA ASN A 57 2.187 10.235 -11.716 1.00 0.00 C ATOM 789 C ASN A 57 3.213 10.432 -12.832 1.00 0.00 C ATOM 790 O ASN A 57 2.916 10.258 -14.017 1.00 0.00 O ATOM 791 CB ASN A 57 0.981 9.433 -12.227 1.00 0.00 C ATOM 792 CG ASN A 57 -0.011 9.093 -11.132 1.00 0.00 C ATOM 793 OD1 ASN A 57 0.129 8.085 -10.439 1.00 0.00 O ATOM 794 ND2 ASN A 57 -1.030 9.924 -10.976 1.00 0.00 N ATOM 0 H ASN A 57 2.039 11.687 -10.210 1.00 0.00 H new ATOM 0 HA ASN A 57 2.627 9.657 -10.904 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.474 10.005 -13.004 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.334 8.511 -12.689 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.734 9.739 -10.261 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.111 10.749 -11.570 1.00 0.00 H new ATOM 801 N PRO A 58 4.437 10.826 -12.449 1.00 0.00 N ATOM 802 CA PRO A 58 5.477 11.260 -13.391 1.00 0.00 C ATOM 803 C PRO A 58 6.103 10.118 -14.190 1.00 0.00 C ATOM 804 O PRO A 58 5.930 8.942 -13.859 1.00 0.00 O ATOM 805 CB PRO A 58 6.525 11.889 -12.476 1.00 0.00 C ATOM 806 CG PRO A 58 6.373 11.171 -11.184 1.00 0.00 C ATOM 807 CD PRO A 58 4.909 10.878 -11.051 1.00 0.00 C ATOM 0 HA PRO A 58 5.067 11.927 -14.149 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.530 11.768 -12.881 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.357 12.959 -12.357 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.958 10.252 -11.176 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.727 11.781 -10.353 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.734 9.935 -10.534 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.395 11.653 -10.483 1.00 0.00 H new ATOM 815 N PRO A 59 6.825 10.462 -15.277 1.00 0.00 N ATOM 816 CA PRO A 59 7.571 9.492 -16.082 1.00 0.00 C ATOM 817 C PRO A 59 8.796 8.952 -15.344 1.00 0.00 C ATOM 818 O PRO A 59 9.462 9.683 -14.607 1.00 0.00 O ATOM 819 CB PRO A 59 8.014 10.292 -17.319 1.00 0.00 C ATOM 820 CG PRO A 59 7.236 11.564 -17.273 1.00 0.00 C ATOM 821 CD PRO A 59 6.944 11.821 -15.825 1.00 0.00 C ATOM 0 HA PRO A 59 6.961 8.621 -16.322 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.086 10.487 -17.296 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.810 9.740 -18.237 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.806 12.385 -17.707 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.314 11.478 -17.847 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.744 12.384 -15.344 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.026 12.394 -15.692 1.00 0.00 H new ATOM 829 N GLN A 60 9.098 7.682 -15.578 1.00 0.00 N ATOM 830 CA GLN A 60 10.192 6.995 -14.896 1.00 0.00 C ATOM 831 C GLN A 60 11.531 7.708 -15.100 1.00 0.00 C ATOM 832 O GLN A 60 12.306 7.871 -14.156 1.00 0.00 O ATOM 833 CB GLN A 60 10.292 5.553 -15.404 1.00 0.00 C ATOM 834 CG GLN A 60 11.301 4.704 -14.648 1.00 0.00 C ATOM 835 CD GLN A 60 11.432 3.307 -15.224 1.00 0.00 C ATOM 836 OE1 GLN A 60 10.484 2.760 -15.787 1.00 0.00 O ATOM 837 NE2 GLN A 60 12.610 2.718 -15.089 1.00 0.00 N ATOM 0 H GLN A 60 8.594 7.098 -16.245 1.00 0.00 H new ATOM 0 HA GLN A 60 9.973 7.001 -13.828 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.311 5.084 -15.333 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.562 5.568 -16.460 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.274 5.195 -14.670 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.002 4.636 -13.602 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.372 3.204 -14.616 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.756 1.778 -15.458 1.00 0.00 H new ATOM 846 N HIS A 61 11.795 8.155 -16.325 1.00 0.00 N ATOM 847 CA HIS A 61 13.083 8.770 -16.647 1.00 0.00 C ATOM 848 C HIS A 61 13.253 10.114 -15.937 1.00 0.00 C ATOM 849 O HIS A 61 14.364 10.618 -15.803 1.00 0.00 O ATOM 850 CB HIS A 61 13.263 8.934 -18.170 1.00 0.00 C ATOM 851 CG HIS A 61 12.407 9.999 -18.808 1.00 0.00 C ATOM 852 ND1 HIS A 61 11.311 9.718 -19.592 1.00 0.00 N ATOM 853 CD2 HIS A 61 12.517 11.351 -18.799 1.00 0.00 C ATOM 854 CE1 HIS A 61 10.787 10.846 -20.033 1.00 0.00 C ATOM 855 NE2 HIS A 61 11.499 11.851 -19.568 1.00 0.00 N ATOM 0 H HIS A 61 11.141 8.104 -17.106 1.00 0.00 H new ATOM 0 HA HIS A 61 13.861 8.097 -16.286 1.00 0.00 H new ATOM 0 HB2 HIS A 61 14.309 9.162 -18.373 1.00 0.00 H new ATOM 0 HB3 HIS A 61 13.045 7.980 -18.650 1.00 0.00 H new ATOM 0 HD2 HIS A 61 13.269 11.928 -18.281 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.919 10.931 -20.669 1.00 0.00 H new ATOM 0 HE2 HIS A 61 11.322 12.839 -19.750 1.00 0.00 H new ATOM 863 N ARG A 62 12.149 10.691 -15.476 1.00 0.00 N ATOM 864 CA ARG A 62 12.197 11.980 -14.801 1.00 0.00 C ATOM 865 C ARG A 62 12.576 11.819 -13.338 1.00 0.00 C ATOM 866 O ARG A 62 13.084 12.752 -12.716 1.00 0.00 O ATOM 867 CB ARG A 62 10.859 12.710 -14.921 1.00 0.00 C ATOM 868 CG ARG A 62 10.746 13.573 -16.169 1.00 0.00 C ATOM 869 CD ARG A 62 11.719 14.744 -16.119 1.00 0.00 C ATOM 870 NE ARG A 62 11.585 15.628 -17.275 1.00 0.00 N ATOM 871 CZ ARG A 62 12.156 16.832 -17.364 1.00 0.00 C ATOM 872 NH1 ARG A 62 12.918 17.289 -16.375 1.00 0.00 N ATOM 873 NH2 ARG A 62 11.974 17.573 -18.448 1.00 0.00 N ATOM 0 H ARG A 62 11.215 10.288 -15.557 1.00 0.00 H new ATOM 0 HA ARG A 62 12.965 12.579 -15.291 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.053 11.976 -14.923 1.00 0.00 H new ATOM 0 HB3 ARG A 62 10.717 13.338 -14.041 1.00 0.00 H new ATOM 0 HG2 ARG A 62 10.947 12.967 -17.053 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.727 13.947 -16.264 1.00 0.00 H new ATOM 0 HD2 ARG A 62 11.549 15.315 -15.206 1.00 0.00 H new ATOM 0 HD3 ARG A 62 12.739 14.364 -16.072 1.00 0.00 H new ATOM 0 HE ARG A 62 11.021 15.306 -18.062 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.069 16.719 -15.543 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.351 18.209 -16.449 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.398 17.224 -19.214 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.410 18.493 -18.516 1.00 0.00 H new ATOM 887 N LEU A 63 12.340 10.633 -12.800 1.00 0.00 N ATOM 888 CA LEU A 63 12.685 10.345 -11.417 1.00 0.00 C ATOM 889 C LEU A 63 14.196 10.359 -11.248 1.00 0.00 C ATOM 890 O LEU A 63 14.724 11.070 -10.396 1.00 0.00 O ATOM 891 CB LEU A 63 12.129 8.984 -11.000 1.00 0.00 C ATOM 892 CG LEU A 63 10.627 8.798 -11.215 1.00 0.00 C ATOM 893 CD1 LEU A 63 10.190 7.438 -10.701 1.00 0.00 C ATOM 894 CD2 LEU A 63 9.845 9.911 -10.533 1.00 0.00 C ATOM 0 H LEU A 63 11.911 9.854 -13.300 1.00 0.00 H new ATOM 0 HA LEU A 63 12.244 11.112 -10.780 1.00 0.00 H new ATOM 0 HB2 LEU A 63 12.657 8.209 -11.555 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.350 8.828 -9.944 1.00 0.00 H new ATOM 0 HG LEU A 63 10.419 8.847 -12.284 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.118 7.316 -10.859 1.00 0.00 H new ATOM 0 HD12 LEU A 63 10.727 6.656 -11.238 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.410 7.364 -9.636 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.778 9.760 -10.698 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.052 9.898 -9.463 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.144 10.873 -10.949 1.00 0.00 H new ATOM 906 N ARG A 64 14.880 9.601 -12.108 1.00 0.00 N ATOM 907 CA ARG A 64 16.342 9.498 -12.079 1.00 0.00 C ATOM 908 C ARG A 64 17.012 10.864 -12.174 1.00 0.00 C ATOM 909 O ARG A 64 18.140 11.043 -11.723 1.00 0.00 O ATOM 910 CB ARG A 64 16.842 8.618 -13.225 1.00 0.00 C ATOM 911 CG ARG A 64 16.844 7.130 -12.918 1.00 0.00 C ATOM 912 CD ARG A 64 17.432 6.346 -14.079 1.00 0.00 C ATOM 913 NE ARG A 64 17.711 4.954 -13.734 1.00 0.00 N ATOM 914 CZ ARG A 64 18.233 4.069 -14.586 1.00 0.00 C ATOM 915 NH1 ARG A 64 18.464 4.421 -15.846 1.00 0.00 N ATOM 916 NH2 ARG A 64 18.513 2.836 -14.179 1.00 0.00 N ATOM 0 H ARG A 64 14.440 9.044 -12.840 1.00 0.00 H new ATOM 0 HA ARG A 64 16.608 9.048 -11.122 1.00 0.00 H new ATOM 0 HB2 ARG A 64 16.219 8.795 -14.102 1.00 0.00 H new ATOM 0 HB3 ARG A 64 17.855 8.924 -13.487 1.00 0.00 H new ATOM 0 HG2 ARG A 64 17.423 6.940 -12.014 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.826 6.792 -12.722 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.740 6.376 -14.920 1.00 0.00 H new ATOM 0 HD3 ARG A 64 18.354 6.827 -14.407 1.00 0.00 H new ATOM 0 HE ARG A 64 17.494 4.641 -12.788 1.00 0.00 H new ATOM 0 HH11 ARG A 64 18.243 5.366 -16.160 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.863 3.747 -16.499 1.00 0.00 H new ATOM 0 HH21 ARG A 64 18.329 2.564 -13.213 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.912 2.162 -14.832 1.00 0.00 H new ATOM 930 N ALA A 65 16.320 11.819 -12.765 1.00 0.00 N ATOM 931 CA ALA A 65 16.872 13.147 -12.932 1.00 0.00 C ATOM 932 C ALA A 65 16.644 14.005 -11.692 1.00 0.00 C ATOM 933 O ALA A 65 17.414 14.920 -11.418 1.00 0.00 O ATOM 934 CB ALA A 65 16.269 13.813 -14.156 1.00 0.00 C ATOM 0 H ALA A 65 15.377 11.700 -13.136 1.00 0.00 H new ATOM 0 HA ALA A 65 17.948 13.050 -13.074 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.691 14.811 -14.272 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.494 13.219 -15.042 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.188 13.888 -14.034 1.00 0.00 H new ATOM 940 N MET A 66 15.610 13.691 -10.924 1.00 0.00 N ATOM 941 CA MET A 66 15.224 14.514 -9.800 1.00 0.00 C ATOM 942 C MET A 66 16.127 14.280 -8.592 1.00 0.00 C ATOM 943 O MET A 66 16.566 15.236 -7.953 1.00 0.00 O ATOM 944 CB MET A 66 13.765 14.247 -9.460 1.00 0.00 C ATOM 945 CG MET A 66 13.362 14.705 -8.080 1.00 0.00 C ATOM 946 SD MET A 66 13.568 16.483 -7.810 1.00 0.00 S ATOM 947 CE MET A 66 12.266 17.168 -8.833 1.00 0.00 C ATOM 0 H MET A 66 15.025 12.867 -11.065 1.00 0.00 H new ATOM 0 HA MET A 66 15.341 15.562 -10.077 1.00 0.00 H new ATOM 0 HB2 MET A 66 13.134 14.746 -10.196 1.00 0.00 H new ATOM 0 HB3 MET A 66 13.572 13.178 -9.547 1.00 0.00 H new ATOM 0 HG2 MET A 66 12.319 14.440 -7.910 1.00 0.00 H new ATOM 0 HG3 MET A 66 13.953 14.164 -7.341 1.00 0.00 H new ATOM 0 HE1 MET A 66 12.210 18.245 -8.678 1.00 0.00 H new ATOM 0 HE2 MET A 66 12.481 16.963 -9.882 1.00 0.00 H new ATOM 0 HE3 MET A 66 11.313 16.713 -8.563 1.00 0.00 H new ATOM 957 N ASN A 67 16.416 13.019 -8.284 1.00 0.00 N ATOM 958 CA ASN A 67 17.329 12.708 -7.181 1.00 0.00 C ATOM 959 C ASN A 67 18.703 13.320 -7.434 1.00 0.00 C ATOM 960 O ASN A 67 19.391 13.723 -6.499 1.00 0.00 O ATOM 961 CB ASN A 67 17.453 11.193 -6.941 1.00 0.00 C ATOM 962 CG ASN A 67 17.087 10.359 -8.152 1.00 0.00 C ATOM 963 OD1 ASN A 67 15.941 9.941 -8.299 1.00 0.00 O ATOM 964 ND2 ASN A 67 18.049 10.102 -9.018 1.00 0.00 N ATOM 0 H ASN A 67 16.040 12.206 -8.771 1.00 0.00 H new ATOM 0 HA ASN A 67 16.905 13.147 -6.278 1.00 0.00 H new ATOM 0 HB2 ASN A 67 18.477 10.962 -6.646 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.810 10.911 -6.107 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.853 9.538 -9.845 1.00 0.00 H new ATOM 0 HD22 ASN A 67 18.988 10.467 -8.860 1.00 0.00 H new ATOM 971 N THR A 68 19.086 13.403 -8.702 1.00 0.00 N ATOM 972 CA THR A 68 20.322 14.065 -9.084 1.00 0.00 C ATOM 973 C THR A 68 20.165 15.587 -8.975 1.00 0.00 C ATOM 974 O THR A 68 21.030 16.280 -8.435 1.00 0.00 O ATOM 975 CB THR A 68 20.725 13.693 -10.530 1.00 0.00 C ATOM 976 OG1 THR A 68 20.719 12.263 -10.692 1.00 0.00 O ATOM 977 CG2 THR A 68 22.107 14.238 -10.867 1.00 0.00 C ATOM 0 H THR A 68 18.555 13.018 -9.483 1.00 0.00 H new ATOM 0 HA THR A 68 21.105 13.730 -8.404 1.00 0.00 H new ATOM 0 HB THR A 68 19.999 14.140 -11.209 1.00 0.00 H new ATOM 0 HG1 THR A 68 20.729 11.834 -9.811 1.00 0.00 H new ATOM 0 HG21 THR A 68 22.367 13.963 -11.889 1.00 0.00 H new ATOM 0 HG22 THR A 68 22.103 15.324 -10.773 1.00 0.00 H new ATOM 0 HG23 THR A 68 22.841 13.818 -10.180 1.00 0.00 H new ATOM 985 N ALA A 69 19.036 16.088 -9.473 1.00 0.00 N ATOM 986 CA ALA A 69 18.761 17.522 -9.495 1.00 0.00 C ATOM 987 C ALA A 69 18.692 18.115 -8.091 1.00 0.00 C ATOM 988 O ALA A 69 19.314 19.142 -7.819 1.00 0.00 O ATOM 989 CB ALA A 69 17.463 17.801 -10.240 1.00 0.00 C ATOM 0 H ALA A 69 18.291 15.515 -9.870 1.00 0.00 H new ATOM 0 HA ALA A 69 19.590 18.001 -10.016 1.00 0.00 H new ATOM 0 HB1 ALA A 69 17.271 18.874 -10.248 1.00 0.00 H new ATOM 0 HB2 ALA A 69 17.547 17.440 -11.265 1.00 0.00 H new ATOM 0 HB3 ALA A 69 16.640 17.289 -9.741 1.00 0.00 H new ATOM 995 N MET A 70 17.941 17.472 -7.200 1.00 0.00 N ATOM 996 CA MET A 70 17.775 17.992 -5.847 1.00 0.00 C ATOM 997 C MET A 70 19.097 17.928 -5.103 1.00 0.00 C ATOM 998 O MET A 70 19.440 18.838 -4.353 1.00 0.00 O ATOM 999 CB MET A 70 16.692 17.226 -5.080 1.00 0.00 C ATOM 1000 CG MET A 70 16.186 17.983 -3.859 1.00 0.00 C ATOM 1001 SD MET A 70 14.778 17.190 -3.054 1.00 0.00 S ATOM 1002 CE MET A 70 15.582 15.901 -2.108 1.00 0.00 C ATOM 0 H MET A 70 17.444 16.601 -7.387 1.00 0.00 H new ATOM 0 HA MET A 70 17.454 19.031 -5.920 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.855 17.023 -5.748 1.00 0.00 H new ATOM 0 HB3 MET A 70 17.090 16.261 -4.765 1.00 0.00 H new ATOM 0 HG2 MET A 70 16.999 18.081 -3.139 1.00 0.00 H new ATOM 0 HG3 MET A 70 15.903 18.992 -4.158 1.00 0.00 H new ATOM 0 HE1 MET A 70 14.832 15.331 -1.560 1.00 0.00 H new ATOM 0 HE2 MET A 70 16.121 15.237 -2.783 1.00 0.00 H new ATOM 0 HE3 MET A 70 16.283 16.350 -1.404 1.00 0.00 H new ATOM 1012 N ALA A 71 19.844 16.852 -5.330 1.00 0.00 N ATOM 1013 CA ALA A 71 21.190 16.723 -4.789 1.00 0.00 C ATOM 1014 C ALA A 71 22.048 17.924 -5.169 1.00 0.00 C ATOM 1015 O ALA A 71 22.730 18.503 -4.325 1.00 0.00 O ATOM 1016 CB ALA A 71 21.835 15.445 -5.291 1.00 0.00 C ATOM 0 H ALA A 71 19.537 16.055 -5.887 1.00 0.00 H new ATOM 0 HA ALA A 71 21.117 16.684 -3.702 1.00 0.00 H new ATOM 0 HB1 ALA A 71 22.841 15.359 -4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 71 21.240 14.588 -4.975 1.00 0.00 H new ATOM 0 HB3 ALA A 71 21.889 15.468 -6.379 1.00 0.00 H new ATOM 1022 N ALA A 72 21.996 18.293 -6.444 1.00 0.00 N ATOM 1023 CA ALA A 72 22.750 19.431 -6.955 1.00 0.00 C ATOM 1024 C ALA A 72 22.355 20.724 -6.242 1.00 0.00 C ATOM 1025 O ALA A 72 23.206 21.552 -5.925 1.00 0.00 O ATOM 1026 CB ALA A 72 22.539 19.559 -8.459 1.00 0.00 C ATOM 0 H ALA A 72 21.434 17.815 -7.148 1.00 0.00 H new ATOM 0 HA ALA A 72 23.808 19.258 -6.759 1.00 0.00 H new ATOM 0 HB1 ALA A 72 23.105 20.411 -8.835 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.881 18.650 -8.953 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.479 19.708 -8.666 1.00 0.00 H new ATOM 1032 N GLU A 73 21.063 20.878 -5.974 1.00 0.00 N ATOM 1033 CA GLU A 73 20.550 22.080 -5.322 1.00 0.00 C ATOM 1034 C GLU A 73 20.998 22.150 -3.862 1.00 0.00 C ATOM 1035 O GLU A 73 21.402 23.207 -3.375 1.00 0.00 O ATOM 1036 CB GLU A 73 19.021 22.118 -5.399 1.00 0.00 C ATOM 1037 CG GLU A 73 18.477 22.109 -6.820 1.00 0.00 C ATOM 1038 CD GLU A 73 18.848 23.353 -7.605 1.00 0.00 C ATOM 1039 OE1 GLU A 73 19.993 23.432 -8.096 1.00 0.00 O ATOM 1040 OE2 GLU A 73 17.986 24.245 -7.752 1.00 0.00 O ATOM 0 H GLU A 73 20.349 20.185 -6.198 1.00 0.00 H new ATOM 0 HA GLU A 73 20.957 22.944 -5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.618 21.260 -4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 73 18.663 23.012 -4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 73 18.855 21.230 -7.342 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.391 22.017 -6.787 1.00 0.00 H new ATOM 1047 N VAL A 74 20.931 21.020 -3.164 1.00 0.00 N ATOM 1048 CA VAL A 74 21.334 20.972 -1.759 1.00 0.00 C ATOM 1049 C VAL A 74 22.851 21.110 -1.636 1.00 0.00 C ATOM 1050 O VAL A 74 23.366 21.575 -0.619 1.00 0.00 O ATOM 1051 CB VAL A 74 20.877 19.662 -1.073 1.00 0.00 C ATOM 1052 CG1 VAL A 74 21.196 19.679 0.418 1.00 0.00 C ATOM 1053 CG2 VAL A 74 19.391 19.431 -1.289 1.00 0.00 C ATOM 0 H VAL A 74 20.604 20.131 -3.543 1.00 0.00 H new ATOM 0 HA VAL A 74 20.847 21.807 -1.255 1.00 0.00 H new ATOM 0 HB VAL A 74 21.429 18.840 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 74 20.863 18.746 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 74 22.271 19.788 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 74 20.682 20.516 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 74 19.092 18.505 -0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.828 20.264 -0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.186 19.359 -2.357 1.00 0.00 H new ATOM 1063 N ALA A 75 23.560 20.721 -2.686 1.00 0.00 N ATOM 1064 CA ALA A 75 25.011 20.837 -2.719 1.00 0.00 C ATOM 1065 C ALA A 75 25.451 22.294 -2.603 1.00 0.00 C ATOM 1066 O ALA A 75 26.534 22.588 -2.099 1.00 0.00 O ATOM 1067 CB ALA A 75 25.555 20.227 -4.001 1.00 0.00 C ATOM 0 H ALA A 75 23.151 20.320 -3.530 1.00 0.00 H new ATOM 0 HA ALA A 75 25.413 20.293 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 75 26.641 20.319 -4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.280 19.173 -4.048 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.135 20.751 -4.860 1.00 0.00 H new ATOM 1073 N GLU A 76 24.592 23.203 -3.053 1.00 0.00 N ATOM 1074 CA GLU A 76 24.911 24.628 -3.058 1.00 0.00 C ATOM 1075 C GLU A 76 25.046 25.192 -1.649 1.00 0.00 C ATOM 1076 O GLU A 76 25.801 26.139 -1.432 1.00 0.00 O ATOM 1077 CB GLU A 76 23.854 25.409 -3.838 1.00 0.00 C ATOM 1078 CG GLU A 76 23.904 25.146 -5.331 1.00 0.00 C ATOM 1079 CD GLU A 76 25.268 25.443 -5.917 1.00 0.00 C ATOM 1080 OE1 GLU A 76 25.691 26.618 -5.881 1.00 0.00 O ATOM 1081 OE2 GLU A 76 25.936 24.502 -6.393 1.00 0.00 O ATOM 0 H GLU A 76 23.667 22.978 -3.420 1.00 0.00 H new ATOM 0 HA GLU A 76 25.877 24.739 -3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.865 25.147 -3.461 1.00 0.00 H new ATOM 0 HB3 GLU A 76 23.991 26.475 -3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.646 24.105 -5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.154 25.758 -5.832 1.00 0.00 H new ATOM 1088 N VAL A 77 24.327 24.616 -0.690 1.00 0.00 N ATOM 1089 CA VAL A 77 24.381 25.110 0.682 1.00 0.00 C ATOM 1090 C VAL A 77 25.591 24.533 1.412 1.00 0.00 C ATOM 1091 O VAL A 77 26.176 25.179 2.281 1.00 0.00 O ATOM 1092 CB VAL A 77 23.086 24.805 1.473 1.00 0.00 C ATOM 1093 CG1 VAL A 77 21.868 25.266 0.693 1.00 0.00 C ATOM 1094 CG2 VAL A 77 22.967 23.330 1.827 1.00 0.00 C ATOM 0 H VAL A 77 23.708 23.818 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 77 24.477 26.194 0.624 1.00 0.00 H new ATOM 0 HB VAL A 77 23.138 25.359 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 77 20.966 25.044 1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 77 21.933 26.340 0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 77 21.830 24.745 -0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 77 22.044 23.162 2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 77 22.954 22.736 0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.818 23.033 2.441 1.00 0.00 H new ATOM 1104 N VAL A 78 25.988 23.327 1.027 1.00 0.00 N ATOM 1105 CA VAL A 78 27.143 22.676 1.626 1.00 0.00 C ATOM 1106 C VAL A 78 28.428 23.293 1.085 1.00 0.00 C ATOM 1107 O VAL A 78 29.485 23.227 1.711 1.00 0.00 O ATOM 1108 CB VAL A 78 27.131 21.157 1.355 1.00 0.00 C ATOM 1109 CG1 VAL A 78 28.301 20.468 2.039 1.00 0.00 C ATOM 1110 CG2 VAL A 78 25.816 20.549 1.814 1.00 0.00 C ATOM 0 H VAL A 78 25.525 22.780 0.301 1.00 0.00 H new ATOM 0 HA VAL A 78 27.096 22.827 2.704 1.00 0.00 H new ATOM 0 HB VAL A 78 27.233 21.005 0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 78 28.266 19.399 1.830 1.00 0.00 H new ATOM 0 HG12 VAL A 78 29.237 20.881 1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.240 20.630 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.822 19.477 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.689 20.720 2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.992 21.013 1.272 1.00 0.00 H new ATOM 1120 N ALA A 79 28.313 23.933 -0.075 1.00 0.00 N ATOM 1121 CA ALA A 79 29.452 24.594 -0.698 1.00 0.00 C ATOM 1122 C ALA A 79 29.861 25.820 0.109 1.00 0.00 C ATOM 1123 O ALA A 79 30.922 26.405 -0.114 1.00 0.00 O ATOM 1124 CB ALA A 79 29.116 24.978 -2.132 1.00 0.00 C ATOM 0 H ALA A 79 27.442 24.007 -0.601 1.00 0.00 H new ATOM 0 HA ALA A 79 30.294 23.902 -0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 79 29.975 25.471 -2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 79 28.869 24.081 -2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.263 25.657 -2.137 1.00 0.00 H new ATOM 1130 N THR A 80 29.008 26.203 1.049 1.00 0.00 N ATOM 1131 CA THR A 80 29.281 27.324 1.927 1.00 0.00 C ATOM 1132 C THR A 80 29.608 26.819 3.338 1.00 0.00 C ATOM 1133 O THR A 80 29.453 27.535 4.328 1.00 0.00 O ATOM 1134 CB THR A 80 28.070 28.277 1.975 1.00 0.00 C ATOM 1135 OG1 THR A 80 27.470 28.356 0.673 1.00 0.00 O ATOM 1136 CG2 THR A 80 28.490 29.674 2.413 1.00 0.00 C ATOM 0 H THR A 80 28.113 25.746 1.221 1.00 0.00 H new ATOM 0 HA THR A 80 30.140 27.871 1.537 1.00 0.00 H new ATOM 0 HB THR A 80 27.355 27.884 2.698 1.00 0.00 H new ATOM 0 HG1 THR A 80 26.699 28.960 0.704 1.00 0.00 H new ATOM 0 HG21 THR A 80 27.616 30.325 2.438 1.00 0.00 H new ATOM 0 HG22 THR A 80 28.935 29.625 3.407 1.00 0.00 H new ATOM 0 HG23 THR A 80 29.220 30.072 1.708 1.00 0.00 H new ATOM 1144 N SER A 81 30.055 25.570 3.425 1.00 0.00 N ATOM 1145 CA SER A 81 30.460 24.999 4.697 1.00 0.00 C ATOM 1146 C SER A 81 31.981 25.012 4.820 1.00 0.00 C ATOM 1147 O SER A 81 32.685 24.656 3.874 1.00 0.00 O ATOM 1148 CB SER A 81 29.933 23.569 4.828 1.00 0.00 C ATOM 1149 OG SER A 81 28.520 23.533 4.719 1.00 0.00 O ATOM 0 H SER A 81 30.144 24.938 2.629 1.00 0.00 H new ATOM 0 HA SER A 81 30.038 25.602 5.500 1.00 0.00 H new ATOM 0 HB2 SER A 81 30.376 22.943 4.054 1.00 0.00 H new ATOM 0 HB3 SER A 81 30.237 23.153 5.788 1.00 0.00 H new ATOM 0 HG SER A 81 28.229 24.168 4.032 1.00 0.00 H new ATOM 1155 N PRO A 82 32.507 25.453 5.973 1.00 0.00 N ATOM 1156 CA PRO A 82 33.948 25.439 6.237 1.00 0.00 C ATOM 1157 C PRO A 82 34.499 24.015 6.274 1.00 0.00 C ATOM 1158 O PRO A 82 33.929 23.143 6.935 1.00 0.00 O ATOM 1159 CB PRO A 82 34.077 26.106 7.612 1.00 0.00 C ATOM 1160 CG PRO A 82 32.729 25.981 8.234 1.00 0.00 C ATOM 1161 CD PRO A 82 31.744 26.011 7.101 1.00 0.00 C ATOM 0 HA PRO A 82 34.514 25.952 5.459 1.00 0.00 H new ATOM 0 HB2 PRO A 82 34.838 25.614 8.218 1.00 0.00 H new ATOM 0 HB3 PRO A 82 34.372 27.151 7.517 1.00 0.00 H new ATOM 0 HG2 PRO A 82 32.645 25.053 8.799 1.00 0.00 H new ATOM 0 HG3 PRO A 82 32.545 26.797 8.933 1.00 0.00 H new ATOM 0 HD2 PRO A 82 30.859 25.415 7.322 1.00 0.00 H new ATOM 0 HD3 PRO A 82 31.402 27.025 6.893 1.00 0.00 H new ATOM 1169 N PRO A 83 35.606 23.762 5.552 1.00 0.00 N ATOM 1170 CA PRO A 83 36.231 22.433 5.460 1.00 0.00 C ATOM 1171 C PRO A 83 36.382 21.723 6.809 1.00 0.00 C ATOM 1172 O PRO A 83 36.181 20.512 6.900 1.00 0.00 O ATOM 1173 CB PRO A 83 37.606 22.743 4.874 1.00 0.00 C ATOM 1174 CG PRO A 83 37.386 23.949 4.031 1.00 0.00 C ATOM 1175 CD PRO A 83 36.333 24.761 4.737 1.00 0.00 C ATOM 0 HA PRO A 83 35.622 21.751 4.867 1.00 0.00 H new ATOM 0 HB2 PRO A 83 38.338 22.935 5.658 1.00 0.00 H new ATOM 0 HB3 PRO A 83 37.983 21.909 4.283 1.00 0.00 H new ATOM 0 HG2 PRO A 83 38.308 24.519 3.918 1.00 0.00 H new ATOM 0 HG3 PRO A 83 37.058 23.671 3.029 1.00 0.00 H new ATOM 0 HD2 PRO A 83 36.777 25.538 5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 83 35.670 25.259 4.029 1.00 0.00 H new ATOM 1183 N GLN A 84 36.710 22.479 7.854 1.00 0.00 N ATOM 1184 CA GLN A 84 36.970 21.899 9.171 1.00 0.00 C ATOM 1185 C GLN A 84 35.701 21.309 9.795 1.00 0.00 C ATOM 1186 O GLN A 84 35.771 20.511 10.729 1.00 0.00 O ATOM 1187 CB GLN A 84 37.562 22.955 10.107 1.00 0.00 C ATOM 1188 CG GLN A 84 36.591 24.068 10.462 1.00 0.00 C ATOM 1189 CD GLN A 84 37.221 25.132 11.333 1.00 0.00 C ATOM 1190 OE1 GLN A 84 37.762 26.119 10.838 1.00 0.00 O ATOM 1191 NE2 GLN A 84 37.163 24.935 12.637 1.00 0.00 N ATOM 0 H GLN A 84 36.802 23.494 7.815 1.00 0.00 H new ATOM 0 HA GLN A 84 37.685 21.088 9.034 1.00 0.00 H new ATOM 0 HB2 GLN A 84 37.895 22.469 11.024 1.00 0.00 H new ATOM 0 HB3 GLN A 84 38.444 23.390 9.638 1.00 0.00 H new ATOM 0 HG2 GLN A 84 36.219 24.527 9.546 1.00 0.00 H new ATOM 0 HG3 GLN A 84 35.730 23.643 10.978 1.00 0.00 H new ATOM 0 HE21 GLN A 84 36.705 24.102 13.007 1.00 0.00 H new ATOM 0 HE22 GLN A 84 37.577 25.615 13.274 1.00 0.00 H new ATOM 1200 N SER A 85 34.545 21.709 9.287 1.00 0.00 N ATOM 1201 CA SER A 85 33.277 21.227 9.820 1.00 0.00 C ATOM 1202 C SER A 85 32.434 20.587 8.723 1.00 0.00 C ATOM 1203 O SER A 85 31.251 20.301 8.916 1.00 0.00 O ATOM 1204 CB SER A 85 32.518 22.383 10.470 1.00 0.00 C ATOM 1205 OG SER A 85 33.306 22.989 11.479 1.00 0.00 O ATOM 0 H SER A 85 34.457 22.363 8.510 1.00 0.00 H new ATOM 0 HA SER A 85 33.482 20.466 10.573 1.00 0.00 H new ATOM 0 HB2 SER A 85 32.253 23.122 9.714 1.00 0.00 H new ATOM 0 HB3 SER A 85 31.585 22.018 10.899 1.00 0.00 H new ATOM 0 HG SER A 85 32.807 23.728 11.884 1.00 0.00 H new ATOM 1211 N TYR A 86 33.065 20.338 7.582 1.00 0.00 N ATOM 1212 CA TYR A 86 32.377 19.771 6.429 1.00 0.00 C ATOM 1213 C TYR A 86 31.801 18.393 6.757 1.00 0.00 C ATOM 1214 O TYR A 86 30.673 18.074 6.373 1.00 0.00 O ATOM 1215 CB TYR A 86 33.339 19.679 5.237 1.00 0.00 C ATOM 1216 CG TYR A 86 32.708 19.121 3.978 1.00 0.00 C ATOM 1217 CD1 TYR A 86 32.588 17.750 3.795 1.00 0.00 C ATOM 1218 CD2 TYR A 86 32.229 19.962 2.980 1.00 0.00 C ATOM 1219 CE1 TYR A 86 32.014 17.229 2.655 1.00 0.00 C ATOM 1220 CE2 TYR A 86 31.651 19.448 1.834 1.00 0.00 C ATOM 1221 CZ TYR A 86 31.545 18.083 1.678 1.00 0.00 C ATOM 1222 OH TYR A 86 30.974 17.570 0.540 1.00 0.00 O ATOM 0 H TYR A 86 34.057 20.521 7.430 1.00 0.00 H new ATOM 0 HA TYR A 86 31.548 20.428 6.166 1.00 0.00 H new ATOM 0 HB2 TYR A 86 33.733 20.673 5.024 1.00 0.00 H new ATOM 0 HB3 TYR A 86 34.187 19.053 5.515 1.00 0.00 H new ATOM 0 HD1 TYR A 86 32.951 17.079 4.560 1.00 0.00 H new ATOM 0 HD2 TYR A 86 32.310 21.032 3.102 1.00 0.00 H new ATOM 0 HE1 TYR A 86 31.932 16.160 2.528 1.00 0.00 H new ATOM 0 HE2 TYR A 86 31.285 20.113 1.065 1.00 0.00 H new ATOM 0 HH TYR A 86 31.563 17.737 -0.225 1.00 0.00 H new ATOM 1232 N SER A 87 32.576 17.589 7.477 1.00 0.00 N ATOM 1233 CA SER A 87 32.169 16.235 7.840 1.00 0.00 C ATOM 1234 C SER A 87 30.909 16.242 8.707 1.00 0.00 C ATOM 1235 O SER A 87 30.094 15.318 8.654 1.00 0.00 O ATOM 1236 CB SER A 87 33.313 15.542 8.572 1.00 0.00 C ATOM 1237 OG SER A 87 34.517 15.644 7.828 1.00 0.00 O ATOM 0 H SER A 87 33.498 17.854 7.824 1.00 0.00 H new ATOM 0 HA SER A 87 31.934 15.688 6.927 1.00 0.00 H new ATOM 0 HB2 SER A 87 33.448 15.992 9.556 1.00 0.00 H new ATOM 0 HB3 SER A 87 33.066 14.493 8.733 1.00 0.00 H new ATOM 0 HG SER A 87 35.241 15.195 8.313 1.00 0.00 H new ATOM 1243 N ALA A 88 30.737 17.300 9.487 1.00 0.00 N ATOM 1244 CA ALA A 88 29.569 17.428 10.342 1.00 0.00 C ATOM 1245 C ALA A 88 28.346 17.767 9.502 1.00 0.00 C ATOM 1246 O ALA A 88 27.244 17.277 9.750 1.00 0.00 O ATOM 1247 CB ALA A 88 29.809 18.486 11.410 1.00 0.00 C ATOM 0 H ALA A 88 31.391 18.080 9.544 1.00 0.00 H new ATOM 0 HA ALA A 88 29.388 16.478 10.845 1.00 0.00 H new ATOM 0 HB1 ALA A 88 28.926 18.571 12.043 1.00 0.00 H new ATOM 0 HB2 ALA A 88 30.666 18.200 12.020 1.00 0.00 H new ATOM 0 HB3 ALA A 88 30.007 19.446 10.933 1.00 0.00 H new ATOM 1253 N VAL A 89 28.561 18.588 8.486 1.00 0.00 N ATOM 1254 CA VAL A 89 27.499 18.968 7.564 1.00 0.00 C ATOM 1255 C VAL A 89 27.111 17.773 6.696 1.00 0.00 C ATOM 1256 O VAL A 89 25.942 17.583 6.363 1.00 0.00 O ATOM 1257 CB VAL A 89 27.936 20.145 6.666 1.00 0.00 C ATOM 1258 CG1 VAL A 89 26.836 20.524 5.682 1.00 0.00 C ATOM 1259 CG2 VAL A 89 28.324 21.345 7.516 1.00 0.00 C ATOM 0 H VAL A 89 29.467 19.007 8.277 1.00 0.00 H new ATOM 0 HA VAL A 89 26.638 19.287 8.151 1.00 0.00 H new ATOM 0 HB VAL A 89 28.806 19.826 6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 89 27.172 21.356 5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 89 26.606 19.669 5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.942 20.819 6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 89 28.630 22.166 6.868 1.00 0.00 H new ATOM 0 HG22 VAL A 89 27.470 21.656 8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 89 29.151 21.074 8.172 1.00 0.00 H new ATOM 1269 N LEU A 90 28.111 16.972 6.344 1.00 0.00 N ATOM 1270 CA LEU A 90 27.914 15.741 5.598 1.00 0.00 C ATOM 1271 C LEU A 90 26.876 14.868 6.307 1.00 0.00 C ATOM 1272 O LEU A 90 25.843 14.519 5.732 1.00 0.00 O ATOM 1273 CB LEU A 90 29.281 15.029 5.528 1.00 0.00 C ATOM 1274 CG LEU A 90 29.493 13.911 4.491 1.00 0.00 C ATOM 1275 CD1 LEU A 90 28.194 13.326 3.960 1.00 0.00 C ATOM 1276 CD2 LEU A 90 30.391 14.377 3.358 1.00 0.00 C ATOM 0 H LEU A 90 29.087 17.163 6.571 1.00 0.00 H new ATOM 0 HA LEU A 90 27.543 15.940 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 90 30.039 15.791 5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.481 14.606 6.512 1.00 0.00 H new ATOM 0 HG LEU A 90 29.995 13.100 5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 90 28.417 12.544 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 90 27.622 12.902 4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 90 27.611 14.112 3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 90 30.523 13.566 2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 90 29.934 15.232 2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 90 31.362 14.668 3.759 1.00 0.00 H new ATOM 1288 N ASN A 91 27.146 14.559 7.568 1.00 0.00 N ATOM 1289 CA ASN A 91 26.296 13.656 8.336 1.00 0.00 C ATOM 1290 C ASN A 91 24.926 14.266 8.629 1.00 0.00 C ATOM 1291 O ASN A 91 23.913 13.574 8.551 1.00 0.00 O ATOM 1292 CB ASN A 91 26.984 13.250 9.640 1.00 0.00 C ATOM 1293 CG ASN A 91 28.088 12.230 9.421 1.00 0.00 C ATOM 1294 OD1 ASN A 91 27.844 11.024 9.444 1.00 0.00 O ATOM 1295 ND2 ASN A 91 29.312 12.695 9.211 1.00 0.00 N ATOM 0 H ASN A 91 27.949 14.921 8.083 1.00 0.00 H new ATOM 0 HA ASN A 91 26.135 12.768 7.725 1.00 0.00 H new ATOM 0 HB2 ASN A 91 27.402 14.136 10.118 1.00 0.00 H new ATOM 0 HB3 ASN A 91 26.243 12.838 10.325 1.00 0.00 H new ATOM 0 HD21 ASN A 91 30.085 12.047 9.062 1.00 0.00 H new ATOM 0 HD22 ASN A 91 29.480 13.701 9.198 1.00 0.00 H new ATOM 1302 N THR A 92 24.895 15.556 8.954 1.00 0.00 N ATOM 1303 CA THR A 92 23.637 16.239 9.259 1.00 0.00 C ATOM 1304 C THR A 92 22.655 16.141 8.088 1.00 0.00 C ATOM 1305 O THR A 92 21.458 15.912 8.282 1.00 0.00 O ATOM 1306 CB THR A 92 23.878 17.726 9.606 1.00 0.00 C ATOM 1307 OG1 THR A 92 24.790 17.829 10.707 1.00 0.00 O ATOM 1308 CG2 THR A 92 22.574 18.430 9.963 1.00 0.00 C ATOM 0 H THR A 92 25.723 16.149 9.013 1.00 0.00 H new ATOM 0 HA THR A 92 23.204 15.740 10.126 1.00 0.00 H new ATOM 0 HB THR A 92 24.302 18.210 8.726 1.00 0.00 H new ATOM 0 HG1 THR A 92 25.703 17.936 10.367 1.00 0.00 H new ATOM 0 HG21 THR A 92 22.778 19.474 10.202 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.889 18.378 9.117 1.00 0.00 H new ATOM 0 HG23 THR A 92 22.121 17.942 10.826 1.00 0.00 H new ATOM 1316 N ILE A 93 23.175 16.283 6.875 1.00 0.00 N ATOM 1317 CA ILE A 93 22.349 16.234 5.676 1.00 0.00 C ATOM 1318 C ILE A 93 21.694 14.864 5.514 1.00 0.00 C ATOM 1319 O ILE A 93 20.473 14.759 5.395 1.00 0.00 O ATOM 1320 CB ILE A 93 23.185 16.572 4.420 1.00 0.00 C ATOM 1321 CG1 ILE A 93 23.634 18.037 4.453 1.00 0.00 C ATOM 1322 CG2 ILE A 93 22.414 16.282 3.139 1.00 0.00 C ATOM 1323 CD1 ILE A 93 22.490 19.031 4.499 1.00 0.00 C ATOM 0 H ILE A 93 24.168 16.433 6.696 1.00 0.00 H new ATOM 0 HA ILE A 93 21.563 16.981 5.786 1.00 0.00 H new ATOM 0 HB ILE A 93 24.067 15.932 4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 93 24.271 18.192 5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 93 24.243 18.240 3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 93 23.033 16.532 2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 93 22.152 15.225 3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 93 21.504 16.882 3.118 1.00 0.00 H new ATOM 0 HD11 ILE A 93 22.890 20.045 4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 93 21.864 18.906 3.616 1.00 0.00 H new ATOM 0 HD13 ILE A 93 21.893 18.857 5.394 1.00 0.00 H new ATOM 1335 N GLY A 94 22.510 13.820 5.543 1.00 0.00 N ATOM 1336 CA GLY A 94 22.007 12.472 5.331 1.00 0.00 C ATOM 1337 C GLY A 94 21.123 11.984 6.462 1.00 0.00 C ATOM 1338 O GLY A 94 20.285 11.101 6.272 1.00 0.00 O ATOM 0 H GLY A 94 23.514 13.880 5.710 1.00 0.00 H new ATOM 0 HA2 GLY A 94 21.443 12.443 4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 94 22.849 11.790 5.216 1.00 0.00 H new ATOM 1342 N ALA A 95 21.297 12.568 7.635 1.00 0.00 N ATOM 1343 CA ALA A 95 20.562 12.147 8.815 1.00 0.00 C ATOM 1344 C ALA A 95 19.121 12.637 8.775 1.00 0.00 C ATOM 1345 O ALA A 95 18.189 11.845 8.914 1.00 0.00 O ATOM 1346 CB ALA A 95 21.249 12.644 10.077 1.00 0.00 C ATOM 0 H ALA A 95 21.945 13.339 7.796 1.00 0.00 H new ATOM 0 HA ALA A 95 20.549 11.057 8.825 1.00 0.00 H new ATOM 0 HB1 ALA A 95 20.684 12.319 10.951 1.00 0.00 H new ATOM 0 HB2 ALA A 95 22.259 12.237 10.126 1.00 0.00 H new ATOM 0 HB3 ALA A 95 21.297 13.733 10.060 1.00 0.00 H new ATOM 1352 N CYS A 96 18.939 13.935 8.567 1.00 0.00 N ATOM 1353 CA CYS A 96 17.604 14.519 8.574 1.00 0.00 C ATOM 1354 C CYS A 96 16.826 14.112 7.328 1.00 0.00 C ATOM 1355 O CYS A 96 15.612 13.933 7.380 1.00 0.00 O ATOM 1356 CB CYS A 96 17.680 16.047 8.670 1.00 0.00 C ATOM 1357 SG CYS A 96 18.437 16.672 10.208 1.00 0.00 S ATOM 0 H CYS A 96 19.693 14.599 8.393 1.00 0.00 H new ATOM 0 HA CYS A 96 17.079 14.139 9.450 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.250 16.424 7.820 1.00 0.00 H new ATOM 0 HB3 CYS A 96 16.673 16.454 8.584 1.00 0.00 H new ATOM 1362 N LEU A 97 17.536 13.937 6.218 1.00 0.00 N ATOM 1363 CA LEU A 97 16.897 13.660 4.934 1.00 0.00 C ATOM 1364 C LEU A 97 16.226 12.288 4.928 1.00 0.00 C ATOM 1365 O LEU A 97 15.124 12.133 4.402 1.00 0.00 O ATOM 1366 CB LEU A 97 17.930 13.760 3.806 1.00 0.00 C ATOM 1367 CG LEU A 97 17.364 13.819 2.381 1.00 0.00 C ATOM 1368 CD1 LEU A 97 18.323 14.566 1.472 1.00 0.00 C ATOM 1369 CD2 LEU A 97 17.114 12.422 1.832 1.00 0.00 C ATOM 0 H LEU A 97 18.554 13.982 6.181 1.00 0.00 H new ATOM 0 HA LEU A 97 16.118 14.406 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 97 18.536 14.651 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 97 18.599 12.902 3.875 1.00 0.00 H new ATOM 0 HG LEU A 97 16.412 14.348 2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 97 17.913 14.603 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 97 18.462 15.581 1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 97 19.284 14.051 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 97 16.713 12.495 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 97 18.051 11.866 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 97 16.398 11.903 2.470 1.00 0.00 H new ATOM 1381 N ARG A 98 16.884 11.294 5.517 1.00 0.00 N ATOM 1382 CA ARG A 98 16.359 9.930 5.483 1.00 0.00 C ATOM 1383 C ARG A 98 15.080 9.801 6.306 1.00 0.00 C ATOM 1384 O ARG A 98 14.101 9.201 5.862 1.00 0.00 O ATOM 1385 CB ARG A 98 17.405 8.920 5.967 1.00 0.00 C ATOM 1386 CG ARG A 98 17.861 9.113 7.399 1.00 0.00 C ATOM 1387 CD ARG A 98 18.847 8.035 7.811 1.00 0.00 C ATOM 1388 NE ARG A 98 19.270 8.177 9.203 1.00 0.00 N ATOM 1389 CZ ARG A 98 20.509 8.497 9.582 1.00 0.00 C ATOM 1390 NH1 ARG A 98 21.444 8.759 8.674 1.00 0.00 N ATOM 1391 NH2 ARG A 98 20.810 8.567 10.870 1.00 0.00 N ATOM 0 H ARG A 98 17.767 11.402 6.016 1.00 0.00 H new ATOM 0 HA ARG A 98 16.118 9.706 4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 98 16.994 7.916 5.864 1.00 0.00 H new ATOM 0 HB3 ARG A 98 18.275 8.978 5.313 1.00 0.00 H new ATOM 0 HG2 ARG A 98 18.324 10.094 7.507 1.00 0.00 H new ATOM 0 HG3 ARG A 98 16.998 9.093 8.064 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.391 7.055 7.670 1.00 0.00 H new ATOM 0 HD3 ARG A 98 19.721 8.077 7.161 1.00 0.00 H new ATOM 0 HE ARG A 98 18.573 8.021 9.932 1.00 0.00 H new ATOM 0 HH11 ARG A 98 21.216 8.716 7.681 1.00 0.00 H new ATOM 0 HH12 ARG A 98 22.389 9.003 8.971 1.00 0.00 H new ATOM 0 HH21 ARG A 98 20.095 8.376 11.572 1.00 0.00 H new ATOM 0 HH22 ARG A 98 21.757 8.812 11.160 1.00 0.00 H new ATOM 1405 N GLU A 99 15.086 10.367 7.498 1.00 0.00 N ATOM 1406 CA GLU A 99 13.934 10.274 8.382 1.00 0.00 C ATOM 1407 C GLU A 99 12.751 11.063 7.833 1.00 0.00 C ATOM 1408 O GLU A 99 11.620 10.573 7.832 1.00 0.00 O ATOM 1409 CB GLU A 99 14.286 10.744 9.796 1.00 0.00 C ATOM 1410 CG GLU A 99 14.806 12.169 9.881 1.00 0.00 C ATOM 1411 CD GLU A 99 15.140 12.573 11.299 1.00 0.00 C ATOM 1412 OE1 GLU A 99 14.208 12.785 12.098 1.00 0.00 O ATOM 1413 OE2 GLU A 99 16.339 12.652 11.634 1.00 0.00 O ATOM 0 H GLU A 99 15.872 10.895 7.878 1.00 0.00 H new ATOM 0 HA GLU A 99 13.644 9.225 8.434 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.399 10.657 10.424 1.00 0.00 H new ATOM 0 HB3 GLU A 99 15.037 10.072 10.211 1.00 0.00 H new ATOM 0 HG2 GLU A 99 15.695 12.267 9.258 1.00 0.00 H new ATOM 0 HG3 GLU A 99 14.058 12.851 9.478 1.00 0.00 H new ATOM 1420 N SER A 100 13.011 12.265 7.337 1.00 0.00 N ATOM 1421 CA SER A 100 11.950 13.126 6.839 1.00 0.00 C ATOM 1422 C SER A 100 11.244 12.491 5.642 1.00 0.00 C ATOM 1423 O SER A 100 10.044 12.686 5.444 1.00 0.00 O ATOM 1424 CB SER A 100 12.516 14.492 6.457 1.00 0.00 C ATOM 1425 OG SER A 100 13.570 14.368 5.522 1.00 0.00 O ATOM 0 H SER A 100 13.947 12.665 7.269 1.00 0.00 H new ATOM 0 HA SER A 100 11.216 13.256 7.634 1.00 0.00 H new ATOM 0 HB2 SER A 100 11.724 15.111 6.036 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.877 15.001 7.350 1.00 0.00 H new ATOM 0 HG SER A 100 14.403 14.158 5.994 1.00 0.00 H new ATOM 1431 N MET A 101 11.998 11.729 4.854 1.00 0.00 N ATOM 1432 CA MET A 101 11.458 11.054 3.688 1.00 0.00 C ATOM 1433 C MET A 101 10.379 10.050 4.081 1.00 0.00 C ATOM 1434 O MET A 101 9.321 9.979 3.454 1.00 0.00 O ATOM 1435 CB MET A 101 12.567 10.345 2.924 1.00 0.00 C ATOM 1436 CG MET A 101 12.098 9.875 1.587 1.00 0.00 C ATOM 1437 SD MET A 101 13.333 8.944 0.687 1.00 0.00 S ATOM 1438 CE MET A 101 12.413 8.753 -0.817 1.00 0.00 C ATOM 0 H MET A 101 12.993 11.566 5.008 1.00 0.00 H new ATOM 0 HA MET A 101 11.006 11.811 3.046 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.412 11.021 2.797 1.00 0.00 H new ATOM 0 HB3 MET A 101 12.924 9.495 3.505 1.00 0.00 H new ATOM 0 HG2 MET A 101 11.211 9.255 1.719 1.00 0.00 H new ATOM 0 HG3 MET A 101 11.799 10.737 0.992 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.999 8.174 -1.531 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.478 8.233 -0.608 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.196 9.735 -1.238 1.00 0.00 H new ATOM 1448 N MET A 102 10.639 9.284 5.130 1.00 0.00 N ATOM 1449 CA MET A 102 9.704 8.276 5.581 1.00 0.00 C ATOM 1450 C MET A 102 8.572 8.920 6.383 1.00 0.00 C ATOM 1451 O MET A 102 7.424 8.475 6.326 1.00 0.00 O ATOM 1452 CB MET A 102 10.473 7.232 6.393 1.00 0.00 C ATOM 1453 CG MET A 102 9.969 7.017 7.803 1.00 0.00 C ATOM 1454 SD MET A 102 8.526 5.931 7.882 1.00 0.00 S ATOM 1455 CE MET A 102 9.141 4.461 7.057 1.00 0.00 C ATOM 0 H MET A 102 11.494 9.345 5.683 1.00 0.00 H new ATOM 0 HA MET A 102 9.237 7.778 4.731 1.00 0.00 H new ATOM 0 HB2 MET A 102 10.435 6.281 5.861 1.00 0.00 H new ATOM 0 HB3 MET A 102 11.520 7.530 6.440 1.00 0.00 H new ATOM 0 HG2 MET A 102 10.770 6.592 8.408 1.00 0.00 H new ATOM 0 HG3 MET A 102 9.715 7.981 8.243 1.00 0.00 H new ATOM 0 HE1 MET A 102 8.766 3.574 7.567 1.00 0.00 H new ATOM 0 HE2 MET A 102 8.801 4.456 6.022 1.00 0.00 H new ATOM 0 HE3 MET A 102 10.231 4.459 7.081 1.00 0.00 H new ATOM 1465 N GLN A 103 8.897 10.002 7.088 1.00 0.00 N ATOM 1466 CA GLN A 103 7.900 10.758 7.851 1.00 0.00 C ATOM 1467 C GLN A 103 6.943 11.505 6.931 1.00 0.00 C ATOM 1468 O GLN A 103 5.998 12.143 7.395 1.00 0.00 O ATOM 1469 CB GLN A 103 8.570 11.759 8.794 1.00 0.00 C ATOM 1470 CG GLN A 103 8.737 11.256 10.225 1.00 0.00 C ATOM 1471 CD GLN A 103 9.448 9.919 10.324 1.00 0.00 C ATOM 1472 OE1 GLN A 103 8.818 8.865 10.268 1.00 0.00 O ATOM 1473 NE2 GLN A 103 10.759 9.952 10.507 1.00 0.00 N ATOM 0 H GLN A 103 9.844 10.377 7.148 1.00 0.00 H new ATOM 0 HA GLN A 103 7.335 10.033 8.437 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.551 12.017 8.395 1.00 0.00 H new ATOM 0 HB3 GLN A 103 7.981 12.676 8.810 1.00 0.00 H new ATOM 0 HG2 GLN A 103 9.294 11.997 10.798 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.754 11.169 10.687 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.246 10.847 10.548 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.282 9.082 10.607 1.00 0.00 H new ATOM 1482 N ALA A 104 7.204 11.446 5.633 1.00 0.00 N ATOM 1483 CA ALA A 104 6.345 12.090 4.659 1.00 0.00 C ATOM 1484 C ALA A 104 5.068 11.287 4.450 1.00 0.00 C ATOM 1485 O ALA A 104 3.991 11.700 4.881 1.00 0.00 O ATOM 1486 CB ALA A 104 7.082 12.288 3.344 1.00 0.00 C ATOM 0 H ALA A 104 8.005 10.958 5.233 1.00 0.00 H new ATOM 0 HA ALA A 104 6.067 13.071 5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.421 12.773 2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.959 12.913 3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.395 11.320 2.953 1.00 0.00 H new ATOM 1492 N THR A 105 5.202 10.125 3.811 1.00 0.00 N ATOM 1493 CA THR A 105 4.057 9.272 3.505 1.00 0.00 C ATOM 1494 C THR A 105 4.496 8.057 2.686 1.00 0.00 C ATOM 1495 O THR A 105 4.034 6.943 2.921 1.00 0.00 O ATOM 1496 CB THR A 105 2.960 10.052 2.735 1.00 0.00 C ATOM 1497 OG1 THR A 105 1.865 9.190 2.400 1.00 0.00 O ATOM 1498 CG2 THR A 105 3.527 10.673 1.470 1.00 0.00 C ATOM 0 H THR A 105 6.097 9.753 3.494 1.00 0.00 H new ATOM 0 HA THR A 105 3.638 8.935 4.453 1.00 0.00 H new ATOM 0 HB THR A 105 2.598 10.847 3.387 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.183 9.701 1.916 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.740 11.215 0.946 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.330 11.362 1.731 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.919 9.888 0.823 1.00 0.00 H new ATOM 1506 N GLY A 106 5.402 8.283 1.734 1.00 0.00 N ATOM 1507 CA GLY A 106 5.871 7.210 0.878 1.00 0.00 C ATOM 1508 C GLY A 106 6.690 6.192 1.633 1.00 0.00 C ATOM 1509 O GLY A 106 6.217 5.091 1.919 1.00 0.00 O ATOM 0 H GLY A 106 5.819 9.194 1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.016 6.716 0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.471 7.629 0.070 1.00 0.00 H new ATOM 1513 N SER A 107 7.915 6.590 1.959 1.00 0.00 N ATOM 1514 CA SER A 107 8.887 5.747 2.651 1.00 0.00 C ATOM 1515 C SER A 107 10.261 6.372 2.465 1.00 0.00 C ATOM 1516 O SER A 107 10.384 7.397 1.797 1.00 0.00 O ATOM 1517 CB SER A 107 8.900 4.321 2.084 1.00 0.00 C ATOM 1518 OG SER A 107 9.606 3.430 2.931 1.00 0.00 O ATOM 0 H SER A 107 8.268 7.523 1.747 1.00 0.00 H new ATOM 0 HA SER A 107 8.618 5.683 3.705 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.876 3.970 1.958 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.360 4.326 1.096 1.00 0.00 H new ATOM 0 HG SER A 107 9.594 2.530 2.542 1.00 0.00 H new ATOM 1524 N VAL A 108 11.285 5.761 3.034 1.00 0.00 N ATOM 1525 CA VAL A 108 12.642 6.223 2.823 1.00 0.00 C ATOM 1526 C VAL A 108 13.385 5.242 1.918 1.00 0.00 C ATOM 1527 O VAL A 108 13.836 4.176 2.345 1.00 0.00 O ATOM 1528 CB VAL A 108 13.406 6.460 4.151 1.00 0.00 C ATOM 1529 CG1 VAL A 108 13.351 5.251 5.072 1.00 0.00 C ATOM 1530 CG2 VAL A 108 14.847 6.859 3.875 1.00 0.00 C ATOM 0 H VAL A 108 11.202 4.947 3.643 1.00 0.00 H new ATOM 0 HA VAL A 108 12.591 7.194 2.331 1.00 0.00 H new ATOM 0 HB VAL A 108 12.906 7.279 4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.900 5.466 5.988 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.313 5.026 5.316 1.00 0.00 H new ATOM 0 HG13 VAL A 108 13.801 4.393 4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 108 15.367 7.021 4.819 1.00 0.00 H new ATOM 0 HG22 VAL A 108 15.344 6.065 3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 108 14.864 7.778 3.289 1.00 0.00 H new ATOM 1540 N ASP A 109 13.461 5.603 0.649 1.00 0.00 N ATOM 1541 CA ASP A 109 14.049 4.742 -0.367 1.00 0.00 C ATOM 1542 C ASP A 109 15.565 4.693 -0.226 1.00 0.00 C ATOM 1543 O ASP A 109 16.206 5.711 0.036 1.00 0.00 O ATOM 1544 CB ASP A 109 13.663 5.233 -1.760 1.00 0.00 C ATOM 1545 CG ASP A 109 14.259 4.378 -2.854 1.00 0.00 C ATOM 1546 OD1 ASP A 109 13.647 3.354 -3.213 1.00 0.00 O ATOM 1547 OD2 ASP A 109 15.344 4.723 -3.349 1.00 0.00 O ATOM 0 H ASP A 109 13.119 6.496 0.293 1.00 0.00 H new ATOM 0 HA ASP A 109 13.661 3.733 -0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.577 5.235 -1.854 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.996 6.263 -1.885 1.00 0.00 H new ATOM 1552 N ASN A 110 16.133 3.510 -0.421 1.00 0.00 N ATOM 1553 CA ASN A 110 17.554 3.280 -0.168 1.00 0.00 C ATOM 1554 C ASN A 110 18.422 3.643 -1.371 1.00 0.00 C ATOM 1555 O ASN A 110 19.645 3.664 -1.270 1.00 0.00 O ATOM 1556 CB ASN A 110 17.802 1.820 0.233 1.00 0.00 C ATOM 1557 CG ASN A 110 17.315 0.830 -0.808 1.00 0.00 C ATOM 1558 OD1 ASN A 110 18.047 0.461 -1.726 1.00 0.00 O ATOM 1559 ND2 ASN A 110 16.074 0.381 -0.665 1.00 0.00 N ATOM 0 H ASN A 110 15.630 2.688 -0.756 1.00 0.00 H new ATOM 0 HA ASN A 110 17.839 3.935 0.655 1.00 0.00 H new ATOM 0 HB2 ASN A 110 18.869 1.670 0.398 1.00 0.00 H new ATOM 0 HB3 ASN A 110 17.302 1.619 1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 110 15.696 -0.294 -1.330 1.00 0.00 H new ATOM 0 HD22 ASN A 110 15.498 0.711 0.110 1.00 0.00 H new ATOM 1566 N ALA A 111 17.798 3.926 -2.506 1.00 0.00 N ATOM 1567 CA ALA A 111 18.535 4.335 -3.695 1.00 0.00 C ATOM 1568 C ALA A 111 18.511 5.853 -3.822 1.00 0.00 C ATOM 1569 O ALA A 111 19.524 6.482 -4.136 1.00 0.00 O ATOM 1570 CB ALA A 111 17.951 3.683 -4.939 1.00 0.00 C ATOM 0 H ALA A 111 16.786 3.880 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 111 19.570 4.007 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 111 18.515 4.001 -5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 111 18.010 2.599 -4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.909 3.981 -5.051 1.00 0.00 H new ATOM 1576 N PHE A 112 17.346 6.431 -3.561 1.00 0.00 N ATOM 1577 CA PHE A 112 17.175 7.877 -3.568 1.00 0.00 C ATOM 1578 C PHE A 112 18.107 8.523 -2.549 1.00 0.00 C ATOM 1579 O PHE A 112 18.938 9.362 -2.900 1.00 0.00 O ATOM 1580 CB PHE A 112 15.717 8.231 -3.254 1.00 0.00 C ATOM 1581 CG PHE A 112 15.429 9.708 -3.236 1.00 0.00 C ATOM 1582 CD1 PHE A 112 15.097 10.374 -4.402 1.00 0.00 C ATOM 1583 CD2 PHE A 112 15.488 10.428 -2.051 1.00 0.00 C ATOM 1584 CE1 PHE A 112 14.830 11.730 -4.392 1.00 0.00 C ATOM 1585 CE2 PHE A 112 15.221 11.783 -2.034 1.00 0.00 C ATOM 1586 CZ PHE A 112 14.891 12.434 -3.206 1.00 0.00 C ATOM 0 H PHE A 112 16.496 5.913 -3.339 1.00 0.00 H new ATOM 0 HA PHE A 112 17.426 8.258 -4.558 1.00 0.00 H new ATOM 0 HB2 PHE A 112 15.073 7.756 -3.994 1.00 0.00 H new ATOM 0 HB3 PHE A 112 15.454 7.809 -2.284 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.046 9.827 -5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.746 9.923 -1.132 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.574 12.238 -5.310 1.00 0.00 H new ATOM 0 HE2 PHE A 112 15.270 12.332 -1.105 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.681 13.493 -3.195 1.00 0.00 H new ATOM 1596 N THR A 113 17.979 8.107 -1.289 1.00 0.00 N ATOM 1597 CA THR A 113 18.793 8.664 -0.209 1.00 0.00 C ATOM 1598 C THR A 113 20.268 8.307 -0.383 1.00 0.00 C ATOM 1599 O THR A 113 21.139 8.901 0.248 1.00 0.00 O ATOM 1600 CB THR A 113 18.313 8.175 1.171 1.00 0.00 C ATOM 1601 OG1 THR A 113 18.327 6.742 1.221 1.00 0.00 O ATOM 1602 CG2 THR A 113 16.912 8.685 1.465 1.00 0.00 C ATOM 0 H THR A 113 17.320 7.387 -0.991 1.00 0.00 H new ATOM 0 HA THR A 113 18.680 9.747 -0.259 1.00 0.00 H new ATOM 0 HB THR A 113 18.993 8.567 1.927 1.00 0.00 H new ATOM 0 HG1 THR A 113 17.441 6.398 0.982 1.00 0.00 H new ATOM 0 HG21 THR A 113 16.593 8.328 2.444 1.00 0.00 H new ATOM 0 HG22 THR A 113 16.913 9.775 1.459 1.00 0.00 H new ATOM 0 HG23 THR A 113 16.224 8.318 0.703 1.00 0.00 H new ATOM 1610 N ASN A 114 20.534 7.328 -1.237 1.00 0.00 N ATOM 1611 CA ASN A 114 21.894 6.908 -1.531 1.00 0.00 C ATOM 1612 C ASN A 114 22.561 7.922 -2.449 1.00 0.00 C ATOM 1613 O ASN A 114 23.511 8.603 -2.057 1.00 0.00 O ATOM 1614 CB ASN A 114 21.863 5.536 -2.208 1.00 0.00 C ATOM 1615 CG ASN A 114 23.234 4.931 -2.445 1.00 0.00 C ATOM 1616 OD1 ASN A 114 24.242 5.629 -2.561 1.00 0.00 O ATOM 1617 ND2 ASN A 114 23.267 3.619 -2.547 1.00 0.00 N ATOM 0 H ASN A 114 19.817 6.807 -1.742 1.00 0.00 H new ATOM 0 HA ASN A 114 22.463 6.843 -0.604 1.00 0.00 H new ATOM 0 HB2 ASN A 114 21.277 4.853 -1.593 1.00 0.00 H new ATOM 0 HB3 ASN A 114 21.347 5.626 -3.164 1.00 0.00 H new ATOM 0 HD21 ASN A 114 24.151 3.144 -2.729 1.00 0.00 H new ATOM 0 HD22 ASN A 114 22.409 3.078 -2.444 1.00 0.00 H new ATOM 1624 N GLU A 115 22.043 8.009 -3.669 1.00 0.00 N ATOM 1625 CA GLU A 115 22.555 8.901 -4.672 1.00 0.00 C ATOM 1626 C GLU A 115 22.569 10.348 -4.194 1.00 0.00 C ATOM 1627 O GLU A 115 23.602 11.016 -4.274 1.00 0.00 O ATOM 1628 CB GLU A 115 21.707 8.771 -5.932 1.00 0.00 C ATOM 1629 CG GLU A 115 22.199 9.657 -7.034 1.00 0.00 C ATOM 1630 CD GLU A 115 21.453 9.472 -8.336 1.00 0.00 C ATOM 1631 OE1 GLU A 115 21.645 8.422 -8.986 1.00 0.00 O ATOM 1632 OE2 GLU A 115 20.697 10.382 -8.733 1.00 0.00 O ATOM 0 H GLU A 115 21.248 7.451 -3.981 1.00 0.00 H new ATOM 0 HA GLU A 115 23.587 8.623 -4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.716 7.735 -6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 115 20.672 9.022 -5.700 1.00 0.00 H new ATOM 0 HG2 GLU A 115 22.112 10.697 -6.719 1.00 0.00 H new ATOM 0 HG3 GLU A 115 23.258 9.462 -7.201 1.00 0.00 H new ATOM 1639 N VAL A 116 21.439 10.826 -3.676 1.00 0.00 N ATOM 1640 CA VAL A 116 21.325 12.227 -3.282 1.00 0.00 C ATOM 1641 C VAL A 116 22.374 12.583 -2.229 1.00 0.00 C ATOM 1642 O VAL A 116 22.969 13.651 -2.278 1.00 0.00 O ATOM 1643 CB VAL A 116 19.902 12.579 -2.766 1.00 0.00 C ATOM 1644 CG1 VAL A 116 19.615 11.963 -1.408 1.00 0.00 C ATOM 1645 CG2 VAL A 116 19.688 14.087 -2.715 1.00 0.00 C ATOM 0 H VAL A 116 20.598 10.270 -3.521 1.00 0.00 H new ATOM 0 HA VAL A 116 21.505 12.823 -4.177 1.00 0.00 H new ATOM 0 HB VAL A 116 19.199 12.150 -3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 116 18.609 12.237 -1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 116 19.691 10.878 -1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 116 20.339 12.331 -0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 116 18.683 14.300 -2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 116 20.420 14.536 -2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 116 19.807 14.505 -3.714 1.00 0.00 H new ATOM 1655 N MET A 117 22.619 11.659 -1.309 1.00 0.00 N ATOM 1656 CA MET A 117 23.588 11.861 -0.239 1.00 0.00 C ATOM 1657 C MET A 117 24.964 12.176 -0.815 1.00 0.00 C ATOM 1658 O MET A 117 25.562 13.198 -0.488 1.00 0.00 O ATOM 1659 CB MET A 117 23.666 10.599 0.625 1.00 0.00 C ATOM 1660 CG MET A 117 23.688 10.836 2.133 1.00 0.00 C ATOM 1661 SD MET A 117 25.177 11.672 2.719 1.00 0.00 S ATOM 1662 CE MET A 117 24.691 13.387 2.567 1.00 0.00 C ATOM 0 H MET A 117 22.154 10.752 -1.283 1.00 0.00 H new ATOM 0 HA MET A 117 23.266 12.704 0.372 1.00 0.00 H new ATOM 0 HB2 MET A 117 22.813 9.963 0.387 1.00 0.00 H new ATOM 0 HB3 MET A 117 24.563 10.045 0.349 1.00 0.00 H new ATOM 0 HG2 MET A 117 22.817 11.429 2.411 1.00 0.00 H new ATOM 0 HG3 MET A 117 23.597 9.877 2.643 1.00 0.00 H new ATOM 0 HE1 MET A 117 25.257 13.990 3.278 1.00 0.00 H new ATOM 0 HE2 MET A 117 24.894 13.734 1.554 1.00 0.00 H new ATOM 0 HE3 MET A 117 23.626 13.483 2.777 1.00 0.00 H new ATOM 1672 N GLN A 118 25.440 11.310 -1.696 1.00 0.00 N ATOM 1673 CA GLN A 118 26.774 11.457 -2.268 1.00 0.00 C ATOM 1674 C GLN A 118 26.850 12.671 -3.191 1.00 0.00 C ATOM 1675 O GLN A 118 27.799 13.453 -3.120 1.00 0.00 O ATOM 1676 CB GLN A 118 27.171 10.181 -3.023 1.00 0.00 C ATOM 1677 CG GLN A 118 28.492 10.282 -3.775 1.00 0.00 C ATOM 1678 CD GLN A 118 29.650 10.713 -2.894 1.00 0.00 C ATOM 1679 OE1 GLN A 118 29.654 10.478 -1.687 1.00 0.00 O ATOM 1680 NE2 GLN A 118 30.654 11.327 -3.501 1.00 0.00 N ATOM 0 H GLN A 118 24.924 10.497 -2.032 1.00 0.00 H new ATOM 0 HA GLN A 118 27.477 11.616 -1.451 1.00 0.00 H new ATOM 0 HB2 GLN A 118 27.233 9.357 -2.312 1.00 0.00 H new ATOM 0 HB3 GLN A 118 26.381 9.932 -3.732 1.00 0.00 H new ATOM 0 HG2 GLN A 118 28.724 9.315 -4.221 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.383 10.993 -4.594 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.612 11.503 -4.505 1.00 0.00 H new ATOM 0 HE22 GLN A 118 31.469 11.624 -2.965 1.00 0.00 H new ATOM 1689 N LEU A 119 25.857 12.832 -4.052 1.00 0.00 N ATOM 1690 CA LEU A 119 25.846 13.938 -4.995 1.00 0.00 C ATOM 1691 C LEU A 119 25.783 15.292 -4.293 1.00 0.00 C ATOM 1692 O LEU A 119 26.392 16.252 -4.758 1.00 0.00 O ATOM 1693 CB LEU A 119 24.697 13.788 -5.988 1.00 0.00 C ATOM 1694 CG LEU A 119 25.020 12.952 -7.227 1.00 0.00 C ATOM 1695 CD1 LEU A 119 25.199 11.487 -6.886 1.00 0.00 C ATOM 1696 CD2 LEU A 119 23.937 13.118 -8.270 1.00 0.00 C ATOM 0 H LEU A 119 25.050 12.212 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 119 26.788 13.905 -5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 119 23.849 13.336 -5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 119 24.382 14.781 -6.310 1.00 0.00 H new ATOM 0 HG LEU A 119 25.965 13.315 -7.631 1.00 0.00 H new ATOM 0 HD11 LEU A 119 25.427 10.928 -7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 119 26.018 11.376 -6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 119 24.280 11.102 -6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 119 24.181 12.517 -9.146 1.00 0.00 H new ATOM 0 HD22 LEU A 119 22.982 12.790 -7.859 1.00 0.00 H new ATOM 0 HD23 LEU A 119 23.867 14.167 -8.558 1.00 0.00 H new ATOM 1708 N VAL A 120 25.080 15.372 -3.163 1.00 0.00 N ATOM 1709 CA VAL A 120 25.040 16.612 -2.386 1.00 0.00 C ATOM 1710 C VAL A 120 26.447 16.998 -1.915 1.00 0.00 C ATOM 1711 O VAL A 120 26.728 18.164 -1.632 1.00 0.00 O ATOM 1712 CB VAL A 120 24.077 16.503 -1.168 1.00 0.00 C ATOM 1713 CG1 VAL A 120 24.257 17.661 -0.197 1.00 0.00 C ATOM 1714 CG2 VAL A 120 22.634 16.463 -1.639 1.00 0.00 C ATOM 0 H VAL A 120 24.537 14.604 -2.769 1.00 0.00 H new ATOM 0 HA VAL A 120 24.657 17.393 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 120 24.322 15.578 -0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 120 23.566 17.546 0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 120 25.281 17.666 0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 120 24.053 18.601 -0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 120 21.972 16.387 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 120 22.406 17.374 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 120 22.487 15.599 -2.287 1.00 0.00 H new ATOM 1724 N LYS A 121 27.337 16.021 -1.850 1.00 0.00 N ATOM 1725 CA LYS A 121 28.697 16.274 -1.402 1.00 0.00 C ATOM 1726 C LYS A 121 29.609 16.504 -2.601 1.00 0.00 C ATOM 1727 O LYS A 121 30.338 17.493 -2.663 1.00 0.00 O ATOM 1728 CB LYS A 121 29.236 15.102 -0.570 1.00 0.00 C ATOM 1729 CG LYS A 121 28.226 14.433 0.363 1.00 0.00 C ATOM 1730 CD LYS A 121 27.232 15.409 0.983 1.00 0.00 C ATOM 1731 CE LYS A 121 27.900 16.468 1.842 1.00 0.00 C ATOM 1732 NZ LYS A 121 26.927 17.486 2.304 1.00 0.00 N ATOM 0 H LYS A 121 27.144 15.051 -2.100 1.00 0.00 H new ATOM 0 HA LYS A 121 28.681 17.166 -0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 121 29.629 14.347 -1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 121 30.074 15.460 0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 121 27.678 13.673 -0.193 1.00 0.00 H new ATOM 0 HG3 LYS A 121 28.764 13.919 1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 121 26.666 15.896 0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 121 26.517 14.854 1.590 1.00 0.00 H new ATOM 0 HE2 LYS A 121 28.370 15.995 2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 121 28.693 16.953 1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 27.339 18.028 3.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 26.701 18.131 1.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 26.058 17.014 2.626 1.00 0.00 H new ATOM 1746 N MET A 122 29.547 15.578 -3.549 1.00 0.00 N ATOM 1747 CA MET A 122 30.384 15.618 -4.749 1.00 0.00 C ATOM 1748 C MET A 122 30.132 16.879 -5.573 1.00 0.00 C ATOM 1749 O MET A 122 31.073 17.523 -6.033 1.00 0.00 O ATOM 1750 CB MET A 122 30.128 14.379 -5.613 1.00 0.00 C ATOM 1751 CG MET A 122 30.965 14.330 -6.884 1.00 0.00 C ATOM 1752 SD MET A 122 30.568 12.912 -7.926 1.00 0.00 S ATOM 1753 CE MET A 122 28.847 13.234 -8.310 1.00 0.00 C ATOM 0 H MET A 122 28.917 14.777 -3.511 1.00 0.00 H new ATOM 0 HA MET A 122 31.424 15.630 -4.423 1.00 0.00 H new ATOM 0 HB2 MET A 122 30.332 13.487 -5.021 1.00 0.00 H new ATOM 0 HB3 MET A 122 29.072 14.348 -5.883 1.00 0.00 H new ATOM 0 HG2 MET A 122 30.810 15.247 -7.452 1.00 0.00 H new ATOM 0 HG3 MET A 122 32.021 14.295 -6.617 1.00 0.00 H new ATOM 0 HE1 MET A 122 28.649 12.966 -9.348 1.00 0.00 H new ATOM 0 HE2 MET A 122 28.211 12.640 -7.654 1.00 0.00 H new ATOM 0 HE3 MET A 122 28.633 14.292 -8.162 1.00 0.00 H new ATOM 1763 N LEU A 123 28.865 17.241 -5.738 1.00 0.00 N ATOM 1764 CA LEU A 123 28.503 18.399 -6.550 1.00 0.00 C ATOM 1765 C LEU A 123 28.714 19.688 -5.765 1.00 0.00 C ATOM 1766 O LEU A 123 28.460 20.786 -6.263 1.00 0.00 O ATOM 1767 CB LEU A 123 27.044 18.297 -7.007 1.00 0.00 C ATOM 1768 CG LEU A 123 26.706 17.065 -7.849 1.00 0.00 C ATOM 1769 CD1 LEU A 123 25.210 16.976 -8.086 1.00 0.00 C ATOM 1770 CD2 LEU A 123 27.440 17.102 -9.178 1.00 0.00 C ATOM 0 H LEU A 123 28.073 16.752 -5.322 1.00 0.00 H new ATOM 0 HA LEU A 123 29.147 18.415 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 123 26.403 18.301 -6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 123 26.798 19.189 -7.583 1.00 0.00 H new ATOM 0 HG LEU A 123 27.029 16.182 -7.298 1.00 0.00 H new ATOM 0 HD11 LEU A 123 24.989 16.094 -8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.694 16.902 -7.129 1.00 0.00 H new ATOM 0 HD13 LEU A 123 24.871 17.868 -8.613 1.00 0.00 H new ATOM 0 HD21 LEU A 123 27.184 16.216 -9.760 1.00 0.00 H new ATOM 0 HD22 LEU A 123 27.148 17.995 -9.730 1.00 0.00 H new ATOM 0 HD23 LEU A 123 28.515 17.121 -8.999 1.00 0.00 H new ATOM 1782 N SER A 124 29.187 19.545 -4.539 1.00 0.00 N ATOM 1783 CA SER A 124 29.411 20.666 -3.667 1.00 0.00 C ATOM 1784 C SER A 124 30.902 20.950 -3.593 1.00 0.00 C ATOM 1785 O SER A 124 31.380 21.985 -4.064 1.00 0.00 O ATOM 1786 CB SER A 124 28.862 20.343 -2.277 1.00 0.00 C ATOM 1787 OG SER A 124 28.884 21.472 -1.442 1.00 0.00 O ATOM 0 H SER A 124 29.425 18.643 -4.127 1.00 0.00 H new ATOM 0 HA SER A 124 28.899 21.548 -4.052 1.00 0.00 H new ATOM 0 HB2 SER A 124 27.840 19.973 -2.365 1.00 0.00 H new ATOM 0 HB3 SER A 124 29.452 19.545 -1.827 1.00 0.00 H new ATOM 0 HG SER A 124 28.161 22.082 -1.697 1.00 0.00 H new ATOM 1793 N ALA A 125 31.629 19.986 -3.045 1.00 0.00 N ATOM 1794 CA ALA A 125 33.060 20.107 -2.850 1.00 0.00 C ATOM 1795 C ALA A 125 33.627 18.812 -2.297 1.00 0.00 C ATOM 1796 O ALA A 125 33.335 18.428 -1.167 1.00 0.00 O ATOM 1797 CB ALA A 125 33.373 21.253 -1.907 1.00 0.00 C ATOM 0 H ALA A 125 31.240 19.099 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 125 33.522 20.312 -3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 125 34.452 21.329 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 125 32.993 22.184 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 125 32.899 21.071 -0.943 1.00 0.00 H new