USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=35 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 36 GLN : amide:sc= -0.638 K(o=-0.75,f=-3.4!) USER MOD Set 1.2: A 81 SER OG : rot 140:sc= -0.11 USER MOD Set 2.1: A 67 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.56) USER MOD Set 2.2: A 68 THR OG1 : rot 180:sc= 0.00838 USER MOD Set 3.1: A 49 SER OG : rot 107:sc= 0.525 USER MOD Set 3.2: A 53 LYS NZ :NH3+ -172:sc= 0.582 (180deg=0) USER MOD Set 4.1: A 16 MET CE :methyl -142:sc= -3.82! (180deg=-4.6!) USER MOD Set 4.2: A 48 ASN :FLIP amide:sc= -0.271 F(o=-5.6,f=-4.1) USER MOD Set 4.3: A 52 GLN : amide:sc= -0.0195 K(o=-4.1,f=-4.7) USER MOD Set 5.1: A 46 SER OG : rot -164:sc= 1.28 USER MOD Set 5.2: A 50 GLN : amide:sc= 0.577 K(o=1.9,f=1.2) USER MOD Set 6.1: A 40 MET CE :methyl -160:sc= -0.165 (180deg=-0.604) USER MOD Set 6.2: A 43 MET CE :methyl 147:sc= -0.292 (180deg=-1.29) USER MOD Set 7.1: A 10 THR OG1 : rot 75:sc= 0.853 USER MOD Set 7.2: A 11 ASN : amide:sc= 0.145 K(o=1,f=-5.1!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 17 THR OG1 : rot 93:sc= 1.2 USER MOD Single : A 18 MET CE :methyl -146:sc= 0 (180deg=-0.266) USER MOD Single : A 19 THR OG1 : rot 4:sc= 0.885 USER MOD Single : A 20 ASN : amide:sc= -0.341 K(o=-0.34,f=-0.84) USER MOD Single : A 21 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.5!) USER MOD Single : A 24 GLN : amide:sc= -0.135 K(o=-0.13,f=-1.6!) USER MOD Single : A 27 SER OG : rot -96:sc= 1.31 USER MOD Single : A 29 SER OG : rot -31:sc= -0.348 USER MOD Single : A 33 THR OG1 : rot -170:sc= 0.476 USER MOD Single : A 37 MET CE :methyl 163:sc= -0.198 (180deg=-0.715) USER MOD Single : A 42 MET CE :methyl 153:sc= -0.05 (180deg=-0.615) USER MOD Single : A 51 MET CE :methyl -153:sc= -0.895 (180deg=-1.74) USER MOD Single : A 54 MET CE :methyl -151:sc= -1.45 (180deg=-2.07) USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 60 GLN : amide:sc= -0.0563 X(o=-0.056,f=-0.076) USER MOD Single : A 61 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.034) USER MOD Single : A 66 MET CE :methyl -167:sc= -0.0151 (180deg=-0.27) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 74:sc= 1.2 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 30:sc= -0.726 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc=-0.00747 K(o=-0.0075,f=-0.72) USER MOD Single : A 92 THR OG1 : rot 75:sc=-0.00796 USER MOD Single : A 100 SER OG : rot -111:sc= 0.79 USER MOD Single : A 101 MET CE :methyl -134:sc= -0.108 (180deg=-0.734) USER MOD Single : A 102 MET CE :methyl -170:sc= -2.43 (180deg=-2.54!) USER MOD Single : A 103 GLN : amide:sc= -0.635 X(o=-0.63,f=-0.73) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.0018 X(o=-0.0018,f=0) USER MOD Single : A 113 THR OG1 : rot -88:sc= 1.23 USER MOD Single : A 114 ASN : amide:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 117 MET CE :methyl 140:sc= -1.07 (180deg=-2.87!) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl 151:sc= -0.731 (180deg=-1.95) USER MOD Single : A 124 SER OG : rot 93:sc= 0.573 USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 8 8.967 8.312 -4.365 1.00 0.00 N ATOM 82 CA ILE A 8 8.140 9.224 -3.571 1.00 0.00 C ATOM 83 C ILE A 8 7.568 10.382 -4.408 1.00 0.00 C ATOM 84 O ILE A 8 6.723 11.147 -3.940 1.00 0.00 O ATOM 85 CB ILE A 8 8.960 9.774 -2.376 1.00 0.00 C ATOM 86 CG1 ILE A 8 8.088 10.613 -1.441 1.00 0.00 C ATOM 87 CG2 ILE A 8 10.145 10.592 -2.872 1.00 0.00 C ATOM 88 CD1 ILE A 8 8.755 10.933 -0.124 1.00 0.00 C ATOM 0 HA ILE A 8 7.289 8.653 -3.200 1.00 0.00 H new ATOM 0 HB ILE A 8 9.335 8.921 -1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.824 11.544 -1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.157 10.079 -1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.709 10.970 -2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.791 9.962 -3.484 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.784 11.430 -3.469 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.081 11.530 0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.995 10.006 0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 8 9.671 11.494 -0.307 1.00 0.00 H new ATOM 100 N TRP A 9 8.005 10.495 -5.657 1.00 0.00 N ATOM 101 CA TRP A 9 7.512 11.543 -6.545 1.00 0.00 C ATOM 102 C TRP A 9 6.187 11.112 -7.170 1.00 0.00 C ATOM 103 O TRP A 9 6.055 11.018 -8.390 1.00 0.00 O ATOM 104 CB TRP A 9 8.540 11.863 -7.638 1.00 0.00 C ATOM 105 CG TRP A 9 9.909 12.184 -7.108 1.00 0.00 C ATOM 106 CD1 TRP A 9 10.990 11.351 -7.081 1.00 0.00 C ATOM 107 CD2 TRP A 9 10.343 13.424 -6.525 1.00 0.00 C ATOM 108 NE1 TRP A 9 12.068 11.992 -6.520 1.00 0.00 N ATOM 109 CE2 TRP A 9 11.697 13.265 -6.172 1.00 0.00 C ATOM 110 CE3 TRP A 9 9.723 14.651 -6.272 1.00 0.00 C ATOM 111 CZ2 TRP A 9 12.437 14.287 -5.576 1.00 0.00 C ATOM 112 CZ3 TRP A 9 10.458 15.664 -5.681 1.00 0.00 C ATOM 113 CH2 TRP A 9 11.803 15.477 -5.340 1.00 0.00 C ATOM 0 H TRP A 9 8.698 9.876 -6.078 1.00 0.00 H new ATOM 0 HA TRP A 9 7.352 12.448 -5.959 1.00 0.00 H new ATOM 0 HB2 TRP A 9 8.613 11.012 -8.315 1.00 0.00 H new ATOM 0 HB3 TRP A 9 8.181 12.708 -8.225 1.00 0.00 H new ATOM 0 HD1 TRP A 9 10.997 10.335 -7.448 1.00 0.00 H new ATOM 0 HE1 TRP A 9 12.994 11.586 -6.384 1.00 0.00 H new ATOM 0 HE3 TRP A 9 8.687 14.806 -6.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 13.474 14.144 -5.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 9.986 16.614 -5.480 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.351 16.287 -4.882 1.00 0.00 H new ATOM 124 N THR A 10 5.226 10.812 -6.313 1.00 0.00 N ATOM 125 CA THR A 10 3.900 10.409 -6.743 1.00 0.00 C ATOM 126 C THR A 10 2.907 11.550 -6.574 1.00 0.00 C ATOM 127 O THR A 10 2.114 11.844 -7.470 1.00 0.00 O ATOM 128 CB THR A 10 3.414 9.195 -5.931 1.00 0.00 C ATOM 129 OG1 THR A 10 3.790 9.351 -4.553 1.00 0.00 O ATOM 130 CG2 THR A 10 3.994 7.903 -6.480 1.00 0.00 C ATOM 0 H THR A 10 5.344 10.841 -5.300 1.00 0.00 H new ATOM 0 HA THR A 10 3.961 10.140 -7.797 1.00 0.00 H new ATOM 0 HB THR A 10 2.328 9.142 -6.010 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.210 10.017 -4.129 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.634 7.062 -5.887 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.683 7.776 -7.517 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.082 7.943 -6.430 1.00 0.00 H new ATOM 138 N ASN A 11 2.967 12.189 -5.418 1.00 0.00 N ATOM 139 CA ASN A 11 2.057 13.265 -5.079 1.00 0.00 C ATOM 140 C ASN A 11 2.804 14.393 -4.380 1.00 0.00 C ATOM 141 O ASN A 11 3.666 14.149 -3.533 1.00 0.00 O ATOM 142 CB ASN A 11 0.897 12.766 -4.199 1.00 0.00 C ATOM 143 CG ASN A 11 1.340 11.987 -2.971 1.00 0.00 C ATOM 144 OD1 ASN A 11 2.328 11.257 -2.998 1.00 0.00 O ATOM 145 ND2 ASN A 11 0.605 12.141 -1.881 1.00 0.00 N ATOM 0 H ASN A 11 3.648 11.975 -4.690 1.00 0.00 H new ATOM 0 HA ASN A 11 1.632 13.645 -6.008 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.304 13.623 -3.878 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.244 12.134 -4.801 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.852 11.645 -1.025 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.209 12.756 -1.897 1.00 0.00 H new ATOM 152 N PRO A 12 2.482 15.642 -4.756 1.00 0.00 N ATOM 153 CA PRO A 12 3.121 16.853 -4.226 1.00 0.00 C ATOM 154 C PRO A 12 3.358 16.824 -2.720 1.00 0.00 C ATOM 155 O PRO A 12 4.486 17.020 -2.261 1.00 0.00 O ATOM 156 CB PRO A 12 2.118 17.949 -4.576 1.00 0.00 C ATOM 157 CG PRO A 12 1.444 17.473 -5.815 1.00 0.00 C ATOM 158 CD PRO A 12 1.464 15.966 -5.772 1.00 0.00 C ATOM 0 HA PRO A 12 4.117 16.987 -4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.401 18.100 -3.769 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.618 18.904 -4.740 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.420 17.844 -5.865 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.960 17.841 -6.702 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.488 15.563 -5.500 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.723 15.544 -6.743 1.00 0.00 H new ATOM 166 N ASN A 13 2.292 16.577 -1.964 1.00 0.00 N ATOM 167 CA ASN A 13 2.355 16.576 -0.503 1.00 0.00 C ATOM 168 C ASN A 13 3.468 15.673 0.011 1.00 0.00 C ATOM 169 O ASN A 13 4.253 16.073 0.866 1.00 0.00 O ATOM 170 CB ASN A 13 1.013 16.125 0.085 1.00 0.00 C ATOM 171 CG ASN A 13 1.060 15.916 1.591 1.00 0.00 C ATOM 172 OD1 ASN A 13 1.344 14.817 2.068 1.00 0.00 O ATOM 173 ND2 ASN A 13 0.774 16.962 2.351 1.00 0.00 N ATOM 0 H ASN A 13 1.367 16.373 -2.341 1.00 0.00 H new ATOM 0 HA ASN A 13 2.571 17.596 -0.183 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.252 16.870 -0.149 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.707 15.196 -0.395 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.785 16.872 3.367 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.543 17.857 1.920 1.00 0.00 H new ATOM 180 N ALA A 14 3.561 14.480 -0.551 1.00 0.00 N ATOM 181 CA ALA A 14 4.471 13.464 -0.044 1.00 0.00 C ATOM 182 C ALA A 14 5.925 13.874 -0.233 1.00 0.00 C ATOM 183 O ALA A 14 6.709 13.887 0.719 1.00 0.00 O ATOM 184 CB ALA A 14 4.204 12.144 -0.739 1.00 0.00 C ATOM 0 H ALA A 14 3.015 14.189 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 14 4.295 13.353 1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.888 11.386 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.176 11.834 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.356 12.261 -1.812 1.00 0.00 H new ATOM 190 N ALA A 15 6.272 14.227 -1.462 1.00 0.00 N ATOM 191 CA ALA A 15 7.639 14.591 -1.803 1.00 0.00 C ATOM 192 C ALA A 15 8.051 15.876 -1.100 1.00 0.00 C ATOM 193 O ALA A 15 9.147 15.973 -0.552 1.00 0.00 O ATOM 194 CB ALA A 15 7.784 14.736 -3.310 1.00 0.00 C ATOM 0 H ALA A 15 5.620 14.269 -2.245 1.00 0.00 H new ATOM 0 HA ALA A 15 8.301 13.795 -1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.811 15.009 -3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.536 13.790 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.109 15.513 -3.667 1.00 0.00 H new ATOM 200 N MET A 16 7.158 16.853 -1.094 1.00 0.00 N ATOM 201 CA MET A 16 7.445 18.139 -0.481 1.00 0.00 C ATOM 202 C MET A 16 7.636 18.003 1.024 1.00 0.00 C ATOM 203 O MET A 16 8.380 18.770 1.633 1.00 0.00 O ATOM 204 CB MET A 16 6.317 19.123 -0.783 1.00 0.00 C ATOM 205 CG MET A 16 6.725 20.311 -1.633 1.00 0.00 C ATOM 206 SD MET A 16 7.909 21.411 -0.830 1.00 0.00 S ATOM 207 CE MET A 16 9.456 20.846 -1.540 1.00 0.00 C ATOM 0 H MET A 16 6.228 16.779 -1.507 1.00 0.00 H new ATOM 0 HA MET A 16 8.376 18.518 -0.904 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.513 18.589 -1.290 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.911 19.490 0.160 1.00 0.00 H new ATOM 0 HG2 MET A 16 7.156 19.947 -2.566 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.834 20.881 -1.895 1.00 0.00 H new ATOM 0 HE1 MET A 16 10.236 20.871 -0.779 1.00 0.00 H new ATOM 0 HE2 MET A 16 9.338 19.826 -1.905 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.736 21.497 -2.368 1.00 0.00 H new ATOM 217 N THR A 17 6.971 17.017 1.616 1.00 0.00 N ATOM 218 CA THR A 17 7.087 16.766 3.044 1.00 0.00 C ATOM 219 C THR A 17 8.536 16.480 3.442 1.00 0.00 C ATOM 220 O THR A 17 9.078 17.144 4.324 1.00 0.00 O ATOM 221 CB THR A 17 6.178 15.596 3.483 1.00 0.00 C ATOM 222 OG1 THR A 17 4.803 15.981 3.380 1.00 0.00 O ATOM 223 CG2 THR A 17 6.472 15.169 4.913 1.00 0.00 C ATOM 0 H THR A 17 6.345 16.378 1.126 1.00 0.00 H new ATOM 0 HA THR A 17 6.760 17.670 3.557 1.00 0.00 H new ATOM 0 HB THR A 17 6.380 14.753 2.822 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.454 15.715 2.504 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.815 14.344 5.189 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.510 14.847 4.990 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.302 16.009 5.586 1.00 0.00 H new ATOM 231 N MET A 18 9.173 15.520 2.776 1.00 0.00 N ATOM 232 CA MET A 18 10.536 15.136 3.138 1.00 0.00 C ATOM 233 C MET A 18 11.528 16.251 2.819 1.00 0.00 C ATOM 234 O MET A 18 12.483 16.469 3.563 1.00 0.00 O ATOM 235 CB MET A 18 10.948 13.806 2.480 1.00 0.00 C ATOM 236 CG MET A 18 10.775 13.735 0.966 1.00 0.00 C ATOM 237 SD MET A 18 12.078 14.579 0.045 1.00 0.00 S ATOM 238 CE MET A 18 11.607 14.178 -1.635 1.00 0.00 C ATOM 0 H MET A 18 8.775 15.000 1.994 1.00 0.00 H new ATOM 0 HA MET A 18 10.554 14.978 4.216 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.994 13.614 2.717 1.00 0.00 H new ATOM 0 HB3 MET A 18 10.366 13.003 2.932 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.747 12.689 0.661 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.813 14.171 0.699 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.502 14.063 -2.246 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.041 13.247 -1.642 1.00 0.00 H new ATOM 0 HE3 MET A 18 10.991 14.980 -2.041 1.00 0.00 H new ATOM 248 N THR A 19 11.278 16.977 1.738 1.00 0.00 N ATOM 249 CA THR A 19 12.126 18.093 1.360 1.00 0.00 C ATOM 250 C THR A 19 12.090 19.190 2.427 1.00 0.00 C ATOM 251 O THR A 19 13.129 19.690 2.863 1.00 0.00 O ATOM 252 CB THR A 19 11.673 18.668 0.011 1.00 0.00 C ATOM 253 OG1 THR A 19 11.660 17.633 -0.981 1.00 0.00 O ATOM 254 CG2 THR A 19 12.581 19.797 -0.439 1.00 0.00 C ATOM 0 H THR A 19 10.493 16.811 1.108 1.00 0.00 H new ATOM 0 HA THR A 19 13.149 17.728 1.271 1.00 0.00 H new ATOM 0 HB THR A 19 10.667 19.069 0.136 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.876 16.774 -0.561 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.234 20.183 -1.397 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.563 20.596 0.302 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.600 19.424 -0.546 1.00 0.00 H new ATOM 262 N ASN A 20 10.886 19.541 2.858 1.00 0.00 N ATOM 263 CA ASN A 20 10.703 20.577 3.865 1.00 0.00 C ATOM 264 C ASN A 20 11.204 20.118 5.226 1.00 0.00 C ATOM 265 O ASN A 20 11.699 20.923 6.016 1.00 0.00 O ATOM 266 CB ASN A 20 9.232 20.975 3.950 1.00 0.00 C ATOM 267 CG ASN A 20 8.832 21.925 2.839 1.00 0.00 C ATOM 268 OD1 ASN A 20 9.595 22.813 2.459 1.00 0.00 O ATOM 269 ND2 ASN A 20 7.648 21.725 2.291 1.00 0.00 N ATOM 0 H ASN A 20 10.018 19.121 2.524 1.00 0.00 H new ATOM 0 HA ASN A 20 11.290 21.445 3.566 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.612 20.080 3.902 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.039 21.445 4.915 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.335 22.318 1.522 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.046 20.977 2.636 1.00 0.00 H new ATOM 276 N ASN A 21 11.094 18.823 5.496 1.00 0.00 N ATOM 277 CA ASN A 21 11.563 18.277 6.760 1.00 0.00 C ATOM 278 C ASN A 21 13.081 18.374 6.861 1.00 0.00 C ATOM 279 O ASN A 21 13.631 18.455 7.955 1.00 0.00 O ATOM 280 CB ASN A 21 11.115 16.828 6.939 1.00 0.00 C ATOM 281 CG ASN A 21 9.650 16.701 7.316 1.00 0.00 C ATOM 282 OD1 ASN A 21 9.064 17.611 7.903 1.00 0.00 O ATOM 283 ND2 ASN A 21 9.053 15.562 7.001 1.00 0.00 N ATOM 0 H ASN A 21 10.687 18.137 4.861 1.00 0.00 H new ATOM 0 HA ASN A 21 11.120 18.871 7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.295 16.281 6.013 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.725 16.358 7.710 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.074 15.415 7.245 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.572 14.831 6.514 1.00 0.00 H new ATOM 290 N LEU A 22 13.749 18.377 5.718 1.00 0.00 N ATOM 291 CA LEU A 22 15.190 18.574 5.679 1.00 0.00 C ATOM 292 C LEU A 22 15.525 19.995 6.122 1.00 0.00 C ATOM 293 O LEU A 22 16.464 20.221 6.887 1.00 0.00 O ATOM 294 CB LEU A 22 15.725 18.316 4.265 1.00 0.00 C ATOM 295 CG LEU A 22 17.217 18.599 4.061 1.00 0.00 C ATOM 296 CD1 LEU A 22 18.070 17.687 4.931 1.00 0.00 C ATOM 297 CD2 LEU A 22 17.589 18.442 2.595 1.00 0.00 C ATOM 0 H LEU A 22 13.316 18.245 4.804 1.00 0.00 H new ATOM 0 HA LEU A 22 15.665 17.867 6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.532 17.275 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 22 15.158 18.928 3.564 1.00 0.00 H new ATOM 0 HG LEU A 22 17.413 19.628 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 22 19.124 17.909 4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.824 17.851 5.980 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.873 16.647 4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 22 18.652 18.646 2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 22 17.373 17.424 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 22 17.009 19.144 1.995 1.00 0.00 H new ATOM 309 N VAL A 23 14.721 20.942 5.657 1.00 0.00 N ATOM 310 CA VAL A 23 14.910 22.348 5.985 1.00 0.00 C ATOM 311 C VAL A 23 14.652 22.603 7.468 1.00 0.00 C ATOM 312 O VAL A 23 15.465 23.231 8.145 1.00 0.00 O ATOM 313 CB VAL A 23 13.988 23.256 5.140 1.00 0.00 C ATOM 314 CG1 VAL A 23 14.235 24.725 5.451 1.00 0.00 C ATOM 315 CG2 VAL A 23 14.183 22.986 3.655 1.00 0.00 C ATOM 0 H VAL A 23 13.925 20.759 5.046 1.00 0.00 H new ATOM 0 HA VAL A 23 15.947 22.592 5.754 1.00 0.00 H new ATOM 0 HB VAL A 23 12.956 23.023 5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.573 25.342 4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.037 24.912 6.506 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.272 24.975 5.227 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.525 23.635 3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.219 23.185 3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.945 21.944 3.440 1.00 0.00 H new ATOM 325 N GLN A 24 13.534 22.086 7.974 1.00 0.00 N ATOM 326 CA GLN A 24 13.141 22.310 9.368 1.00 0.00 C ATOM 327 C GLN A 24 14.142 21.672 10.329 1.00 0.00 C ATOM 328 O GLN A 24 14.312 22.123 11.460 1.00 0.00 O ATOM 329 CB GLN A 24 11.721 21.768 9.616 1.00 0.00 C ATOM 330 CG GLN A 24 11.575 20.264 9.436 1.00 0.00 C ATOM 331 CD GLN A 24 11.871 19.464 10.693 1.00 0.00 C ATOM 332 OE1 GLN A 24 11.630 19.921 11.807 1.00 0.00 O ATOM 333 NE2 GLN A 24 12.411 18.266 10.522 1.00 0.00 N ATOM 0 H GLN A 24 12.883 21.509 7.441 1.00 0.00 H new ATOM 0 HA GLN A 24 13.139 23.384 9.555 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.418 22.030 10.630 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.031 22.270 8.938 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.559 20.044 9.107 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.245 19.936 8.642 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.597 17.920 9.581 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.641 17.690 11.332 1.00 0.00 H new ATOM 342 N CYS A 25 14.817 20.634 9.861 1.00 0.00 N ATOM 343 CA CYS A 25 15.773 19.915 10.685 1.00 0.00 C ATOM 344 C CYS A 25 17.118 20.637 10.711 1.00 0.00 C ATOM 345 O CYS A 25 17.686 20.871 11.776 1.00 0.00 O ATOM 346 CB CYS A 25 15.945 18.491 10.153 1.00 0.00 C ATOM 347 SG CYS A 25 17.009 17.424 11.175 1.00 0.00 S ATOM 0 H CYS A 25 14.720 20.271 8.913 1.00 0.00 H new ATOM 0 HA CYS A 25 15.392 19.873 11.705 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.962 18.028 10.068 1.00 0.00 H new ATOM 0 HB3 CYS A 25 16.362 18.541 9.147 1.00 0.00 H new ATOM 352 N ALA A 26 17.603 21.035 9.542 1.00 0.00 N ATOM 353 CA ALA A 26 18.942 21.606 9.424 1.00 0.00 C ATOM 354 C ALA A 26 18.976 23.093 9.781 1.00 0.00 C ATOM 355 O ALA A 26 20.028 23.728 9.725 1.00 0.00 O ATOM 356 CB ALA A 26 19.481 21.384 8.019 1.00 0.00 C ATOM 0 H ALA A 26 17.091 20.974 8.662 1.00 0.00 H new ATOM 0 HA ALA A 26 19.580 21.092 10.143 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.480 21.813 7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.528 20.315 7.812 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.822 21.865 7.296 1.00 0.00 H new ATOM 362 N SER A 27 17.834 23.644 10.159 1.00 0.00 N ATOM 363 CA SER A 27 17.775 25.029 10.599 1.00 0.00 C ATOM 364 C SER A 27 17.739 25.063 12.114 1.00 0.00 C ATOM 365 O SER A 27 18.065 26.064 12.756 1.00 0.00 O ATOM 366 CB SER A 27 16.539 25.705 10.018 1.00 0.00 C ATOM 367 OG SER A 27 15.391 24.902 10.214 1.00 0.00 O ATOM 0 H SER A 27 16.938 23.156 10.170 1.00 0.00 H new ATOM 0 HA SER A 27 18.655 25.568 10.249 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.394 26.677 10.490 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.684 25.887 8.953 1.00 0.00 H new ATOM 0 HG SER A 27 15.226 24.365 9.411 1.00 0.00 H new ATOM 373 N ARG A 28 17.363 23.927 12.668 1.00 0.00 N ATOM 374 CA ARG A 28 17.232 23.753 14.087 1.00 0.00 C ATOM 375 C ARG A 28 18.420 22.936 14.599 1.00 0.00 C ATOM 376 O ARG A 28 18.706 22.896 15.796 1.00 0.00 O ATOM 377 CB ARG A 28 15.873 23.080 14.337 1.00 0.00 C ATOM 378 CG ARG A 28 15.873 21.956 15.351 1.00 0.00 C ATOM 379 CD ARG A 28 15.917 22.483 16.778 1.00 0.00 C ATOM 380 NE ARG A 28 15.782 21.414 17.766 1.00 0.00 N ATOM 381 CZ ARG A 28 16.412 21.394 18.941 1.00 0.00 C ATOM 382 NH1 ARG A 28 17.259 22.362 19.271 1.00 0.00 N ATOM 383 NH2 ARG A 28 16.193 20.399 19.789 1.00 0.00 N ATOM 0 H ARG A 28 17.138 23.090 12.129 1.00 0.00 H new ATOM 0 HA ARG A 28 17.250 24.697 14.632 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.166 23.842 14.667 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.502 22.690 13.389 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.980 21.345 15.216 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.732 21.308 15.176 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.858 23.009 16.940 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.117 23.210 16.920 1.00 0.00 H new ATOM 0 HE ARG A 28 15.166 20.633 17.542 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.433 23.130 18.623 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.736 22.337 20.172 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.544 19.652 19.542 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.673 20.381 20.689 1.00 0.00 H new ATOM 397 N SER A 29 19.131 22.311 13.665 1.00 0.00 N ATOM 398 CA SER A 29 20.322 21.546 13.991 1.00 0.00 C ATOM 399 C SER A 29 21.377 22.456 14.615 1.00 0.00 C ATOM 400 O SER A 29 22.058 22.084 15.569 1.00 0.00 O ATOM 401 CB SER A 29 20.887 20.873 12.739 1.00 0.00 C ATOM 402 OG SER A 29 21.225 21.837 11.753 1.00 0.00 O ATOM 0 H SER A 29 18.898 22.322 12.672 1.00 0.00 H new ATOM 0 HA SER A 29 20.050 20.773 14.709 1.00 0.00 H new ATOM 0 HB2 SER A 29 21.770 20.291 13.002 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.154 20.175 12.334 1.00 0.00 H new ATOM 0 HG SER A 29 20.622 22.606 11.827 1.00 0.00 H new ATOM 408 N GLY A 30 21.506 23.652 14.047 1.00 0.00 N ATOM 409 CA GLY A 30 22.434 24.636 14.567 1.00 0.00 C ATOM 410 C GLY A 30 23.824 24.454 14.005 1.00 0.00 C ATOM 411 O GLY A 30 24.769 25.116 14.436 1.00 0.00 O ATOM 0 H GLY A 30 20.979 23.957 13.229 1.00 0.00 H new ATOM 0 HA2 GLY A 30 22.074 25.636 14.327 1.00 0.00 H new ATOM 0 HA3 GLY A 30 22.470 24.562 15.654 1.00 0.00 H new ATOM 415 N VAL A 31 23.952 23.549 13.045 1.00 0.00 N ATOM 416 CA VAL A 31 25.245 23.255 12.451 1.00 0.00 C ATOM 417 C VAL A 31 25.428 24.038 11.149 1.00 0.00 C ATOM 418 O VAL A 31 26.547 24.225 10.675 1.00 0.00 O ATOM 419 CB VAL A 31 25.409 21.736 12.207 1.00 0.00 C ATOM 420 CG1 VAL A 31 24.716 21.293 10.930 1.00 0.00 C ATOM 421 CG2 VAL A 31 26.879 21.343 12.202 1.00 0.00 C ATOM 0 H VAL A 31 23.177 23.007 12.663 1.00 0.00 H new ATOM 0 HA VAL A 31 26.020 23.567 13.151 1.00 0.00 H new ATOM 0 HB VAL A 31 24.923 21.216 13.033 1.00 0.00 H new ATOM 0 HG11 VAL A 31 24.854 20.220 10.794 1.00 0.00 H new ATOM 0 HG12 VAL A 31 23.651 21.516 10.998 1.00 0.00 H new ATOM 0 HG13 VAL A 31 25.145 21.824 10.080 1.00 0.00 H new ATOM 0 HG21 VAL A 31 26.968 20.271 12.029 1.00 0.00 H new ATOM 0 HG22 VAL A 31 27.397 21.883 11.410 1.00 0.00 H new ATOM 0 HG23 VAL A 31 27.326 21.593 13.164 1.00 0.00 H new ATOM 431 N LEU A 32 24.317 24.501 10.583 1.00 0.00 N ATOM 432 CA LEU A 32 24.356 25.350 9.402 1.00 0.00 C ATOM 433 C LEU A 32 24.507 26.807 9.820 1.00 0.00 C ATOM 434 O LEU A 32 24.314 27.147 10.989 1.00 0.00 O ATOM 435 CB LEU A 32 23.084 25.186 8.554 1.00 0.00 C ATOM 436 CG LEU A 32 23.074 24.010 7.566 1.00 0.00 C ATOM 437 CD1 LEU A 32 23.048 22.676 8.288 1.00 0.00 C ATOM 438 CD2 LEU A 32 21.891 24.118 6.619 1.00 0.00 C ATOM 0 H LEU A 32 23.378 24.300 10.926 1.00 0.00 H new ATOM 0 HA LEU A 32 25.211 25.048 8.797 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.235 25.074 9.228 1.00 0.00 H new ATOM 0 HB3 LEU A 32 22.926 26.107 7.992 1.00 0.00 H new ATOM 0 HG LEU A 32 23.996 24.060 6.987 1.00 0.00 H new ATOM 0 HD11 LEU A 32 23.041 21.867 7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 32 23.932 22.587 8.920 1.00 0.00 H new ATOM 0 HD13 LEU A 32 22.152 22.614 8.906 1.00 0.00 H new ATOM 0 HD21 LEU A 32 21.901 23.276 5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 32 20.964 24.106 7.192 1.00 0.00 H new ATOM 0 HD23 LEU A 32 21.958 25.050 6.058 1.00 0.00 H new ATOM 450 N THR A 33 24.845 27.667 8.874 1.00 0.00 N ATOM 451 CA THR A 33 25.006 29.079 9.167 1.00 0.00 C ATOM 452 C THR A 33 23.681 29.811 9.009 1.00 0.00 C ATOM 453 O THR A 33 22.711 29.253 8.482 1.00 0.00 O ATOM 454 CB THR A 33 26.062 29.730 8.247 1.00 0.00 C ATOM 455 OG1 THR A 33 25.584 29.790 6.898 1.00 0.00 O ATOM 456 CG2 THR A 33 27.356 28.938 8.274 1.00 0.00 C ATOM 0 H THR A 33 25.012 27.413 7.901 1.00 0.00 H new ATOM 0 HA THR A 33 25.347 29.160 10.199 1.00 0.00 H new ATOM 0 HB THR A 33 26.246 30.739 8.615 1.00 0.00 H new ATOM 0 HG1 THR A 33 26.316 30.056 6.303 1.00 0.00 H new ATOM 0 HG21 THR A 33 28.087 29.413 7.620 1.00 0.00 H new ATOM 0 HG22 THR A 33 27.744 28.910 9.292 1.00 0.00 H new ATOM 0 HG23 THR A 33 27.167 27.921 7.930 1.00 0.00 H new ATOM 464 N ALA A 34 23.640 31.056 9.470 1.00 0.00 N ATOM 465 CA ALA A 34 22.464 31.895 9.304 1.00 0.00 C ATOM 466 C ALA A 34 22.170 32.089 7.823 1.00 0.00 C ATOM 467 O ALA A 34 21.016 32.222 7.415 1.00 0.00 O ATOM 468 CB ALA A 34 22.662 33.235 9.996 1.00 0.00 C ATOM 0 H ALA A 34 24.411 31.506 9.963 1.00 0.00 H new ATOM 0 HA ALA A 34 21.610 31.401 9.767 1.00 0.00 H new ATOM 0 HB1 ALA A 34 21.772 33.849 9.861 1.00 0.00 H new ATOM 0 HB2 ALA A 34 22.833 33.073 11.060 1.00 0.00 H new ATOM 0 HB3 ALA A 34 23.523 33.744 9.563 1.00 0.00 H new ATOM 474 N ASP A 35 23.230 32.083 7.022 1.00 0.00 N ATOM 475 CA ASP A 35 23.103 32.148 5.575 1.00 0.00 C ATOM 476 C ASP A 35 22.529 30.841 5.051 1.00 0.00 C ATOM 477 O ASP A 35 21.496 30.822 4.392 1.00 0.00 O ATOM 478 CB ASP A 35 24.467 32.387 4.915 1.00 0.00 C ATOM 479 CG ASP A 35 25.148 33.655 5.385 1.00 0.00 C ATOM 480 OD1 ASP A 35 25.618 33.686 6.542 1.00 0.00 O ATOM 481 OD2 ASP A 35 25.241 34.614 4.591 1.00 0.00 O ATOM 0 H ASP A 35 24.192 32.033 7.356 1.00 0.00 H new ATOM 0 HA ASP A 35 22.439 32.977 5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 35 25.116 31.536 5.122 1.00 0.00 H new ATOM 0 HB3 ASP A 35 24.336 32.433 3.834 1.00 0.00 H new ATOM 486 N GLN A 36 23.197 29.745 5.398 1.00 0.00 N ATOM 487 CA GLN A 36 22.845 28.424 4.892 1.00 0.00 C ATOM 488 C GLN A 36 21.394 28.061 5.188 1.00 0.00 C ATOM 489 O GLN A 36 20.695 27.548 4.320 1.00 0.00 O ATOM 490 CB GLN A 36 23.782 27.367 5.479 1.00 0.00 C ATOM 491 CG GLN A 36 25.176 27.379 4.876 1.00 0.00 C ATOM 492 CD GLN A 36 26.058 26.289 5.451 1.00 0.00 C ATOM 493 OE1 GLN A 36 25.574 25.240 5.862 1.00 0.00 O ATOM 494 NE2 GLN A 36 27.359 26.529 5.489 1.00 0.00 N ATOM 0 H GLN A 36 23.994 29.748 6.035 1.00 0.00 H new ATOM 0 HA GLN A 36 22.959 28.451 3.808 1.00 0.00 H new ATOM 0 HB2 GLN A 36 23.861 27.522 6.555 1.00 0.00 H new ATOM 0 HB3 GLN A 36 23.341 26.381 5.331 1.00 0.00 H new ATOM 0 HG2 GLN A 36 25.104 27.253 3.796 1.00 0.00 H new ATOM 0 HG3 GLN A 36 25.639 28.350 5.054 1.00 0.00 H new ATOM 0 HE21 GLN A 36 27.725 27.414 5.138 1.00 0.00 H new ATOM 0 HE22 GLN A 36 27.996 25.829 5.870 1.00 0.00 H new ATOM 503 N MET A 37 20.932 28.339 6.402 1.00 0.00 N ATOM 504 CA MET A 37 19.567 27.982 6.784 1.00 0.00 C ATOM 505 C MET A 37 18.540 28.818 6.022 1.00 0.00 C ATOM 506 O MET A 37 17.390 28.409 5.866 1.00 0.00 O ATOM 507 CB MET A 37 19.358 28.122 8.292 1.00 0.00 C ATOM 508 CG MET A 37 19.478 29.543 8.815 1.00 0.00 C ATOM 509 SD MET A 37 19.217 29.649 10.595 1.00 0.00 S ATOM 510 CE MET A 37 20.564 28.632 11.204 1.00 0.00 C ATOM 0 H MET A 37 21.473 28.804 7.131 1.00 0.00 H new ATOM 0 HA MET A 37 19.419 26.936 6.516 1.00 0.00 H new ATOM 0 HB2 MET A 37 18.371 27.737 8.547 1.00 0.00 H new ATOM 0 HB3 MET A 37 20.087 27.496 8.807 1.00 0.00 H new ATOM 0 HG2 MET A 37 20.466 29.934 8.572 1.00 0.00 H new ATOM 0 HG3 MET A 37 18.751 30.176 8.306 1.00 0.00 H new ATOM 0 HE1 MET A 37 20.724 28.836 12.263 1.00 0.00 H new ATOM 0 HE2 MET A 37 20.314 27.579 11.071 1.00 0.00 H new ATOM 0 HE3 MET A 37 21.473 28.862 10.648 1.00 0.00 H new ATOM 520 N ASP A 38 18.961 29.981 5.540 1.00 0.00 N ATOM 521 CA ASP A 38 18.097 30.819 4.717 1.00 0.00 C ATOM 522 C ASP A 38 18.105 30.305 3.286 1.00 0.00 C ATOM 523 O ASP A 38 17.068 30.256 2.619 1.00 0.00 O ATOM 524 CB ASP A 38 18.557 32.276 4.758 1.00 0.00 C ATOM 525 CG ASP A 38 17.704 33.186 3.895 1.00 0.00 C ATOM 526 OD1 ASP A 38 16.566 33.504 4.300 1.00 0.00 O ATOM 527 OD2 ASP A 38 18.173 33.603 2.815 1.00 0.00 O ATOM 0 H ASP A 38 19.892 30.364 5.704 1.00 0.00 H new ATOM 0 HA ASP A 38 17.082 30.773 5.112 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.532 32.631 5.788 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.594 32.335 4.426 1.00 0.00 H new ATOM 532 N ASP A 39 19.285 29.898 2.833 1.00 0.00 N ATOM 533 CA ASP A 39 19.444 29.304 1.510 1.00 0.00 C ATOM 534 C ASP A 39 18.634 28.015 1.405 1.00 0.00 C ATOM 535 O ASP A 39 18.093 27.696 0.348 1.00 0.00 O ATOM 536 CB ASP A 39 20.921 29.023 1.211 1.00 0.00 C ATOM 537 CG ASP A 39 21.681 30.253 0.750 1.00 0.00 C ATOM 538 OD1 ASP A 39 21.848 31.198 1.548 1.00 0.00 O ATOM 539 OD2 ASP A 39 22.118 30.281 -0.421 1.00 0.00 O ATOM 0 H ASP A 39 20.152 29.969 3.366 1.00 0.00 H new ATOM 0 HA ASP A 39 19.073 30.016 0.773 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.397 28.624 2.107 1.00 0.00 H new ATOM 0 HB3 ASP A 39 20.990 28.252 0.443 1.00 0.00 H new ATOM 544 N MET A 40 18.542 27.287 2.515 1.00 0.00 N ATOM 545 CA MET A 40 17.727 26.073 2.581 1.00 0.00 C ATOM 546 C MET A 40 16.271 26.386 2.247 1.00 0.00 C ATOM 547 O MET A 40 15.575 25.579 1.629 1.00 0.00 O ATOM 548 CB MET A 40 17.816 25.433 3.973 1.00 0.00 C ATOM 549 CG MET A 40 19.201 24.910 4.324 1.00 0.00 C ATOM 550 SD MET A 40 19.676 23.455 3.370 1.00 0.00 S ATOM 551 CE MET A 40 18.581 22.216 4.060 1.00 0.00 C ATOM 0 H MET A 40 19.023 27.516 3.385 1.00 0.00 H new ATOM 0 HA MET A 40 18.115 25.367 1.846 1.00 0.00 H new ATOM 0 HB2 MET A 40 17.516 26.168 4.720 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.103 24.611 4.030 1.00 0.00 H new ATOM 0 HG2 MET A 40 19.933 25.700 4.158 1.00 0.00 H new ATOM 0 HG3 MET A 40 19.231 24.666 5.386 1.00 0.00 H new ATOM 0 HE1 MET A 40 18.976 21.223 3.848 1.00 0.00 H new ATOM 0 HE2 MET A 40 18.508 22.355 5.139 1.00 0.00 H new ATOM 0 HE3 MET A 40 17.592 22.316 3.613 1.00 0.00 H new ATOM 561 N GLY A 41 15.825 27.578 2.637 1.00 0.00 N ATOM 562 CA GLY A 41 14.458 27.988 2.373 1.00 0.00 C ATOM 563 C GLY A 41 14.185 28.153 0.890 1.00 0.00 C ATOM 564 O GLY A 41 13.233 27.572 0.359 1.00 0.00 O ATOM 0 H GLY A 41 16.389 28.268 3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.772 27.248 2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.258 28.930 2.884 1.00 0.00 H new ATOM 568 N MET A 42 15.029 28.931 0.215 1.00 0.00 N ATOM 569 CA MET A 42 14.882 29.160 -1.221 1.00 0.00 C ATOM 570 C MET A 42 15.153 27.870 -1.995 1.00 0.00 C ATOM 571 O MET A 42 14.626 27.662 -3.088 1.00 0.00 O ATOM 572 CB MET A 42 15.823 30.275 -1.699 1.00 0.00 C ATOM 573 CG MET A 42 17.294 29.900 -1.640 1.00 0.00 C ATOM 574 SD MET A 42 18.395 31.237 -2.146 1.00 0.00 S ATOM 575 CE MET A 42 18.110 32.433 -0.842 1.00 0.00 C ATOM 0 H MET A 42 15.821 29.413 0.639 1.00 0.00 H new ATOM 0 HA MET A 42 13.856 29.476 -1.411 1.00 0.00 H new ATOM 0 HB2 MET A 42 15.566 30.541 -2.724 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.659 31.163 -1.089 1.00 0.00 H new ATOM 0 HG2 MET A 42 17.544 29.599 -0.623 1.00 0.00 H new ATOM 0 HG3 MET A 42 17.467 29.035 -2.280 1.00 0.00 H new ATOM 0 HE1 MET A 42 18.995 33.057 -0.721 1.00 0.00 H new ATOM 0 HE2 MET A 42 17.257 33.060 -1.103 1.00 0.00 H new ATOM 0 HE3 MET A 42 17.903 31.911 0.092 1.00 0.00 H new ATOM 585 N MET A 43 15.969 27.005 -1.405 1.00 0.00 N ATOM 586 CA MET A 43 16.293 25.718 -1.995 1.00 0.00 C ATOM 587 C MET A 43 15.041 24.858 -2.113 1.00 0.00 C ATOM 588 O MET A 43 14.767 24.278 -3.164 1.00 0.00 O ATOM 589 CB MET A 43 17.326 25.009 -1.128 1.00 0.00 C ATOM 590 CG MET A 43 17.680 23.615 -1.598 1.00 0.00 C ATOM 591 SD MET A 43 18.432 22.638 -0.291 1.00 0.00 S ATOM 592 CE MET A 43 17.051 22.491 0.840 1.00 0.00 C ATOM 0 H MET A 43 16.422 27.178 -0.507 1.00 0.00 H new ATOM 0 HA MET A 43 16.701 25.878 -2.993 1.00 0.00 H new ATOM 0 HB2 MET A 43 18.234 25.612 -1.098 1.00 0.00 H new ATOM 0 HB3 MET A 43 16.948 24.951 -0.107 1.00 0.00 H new ATOM 0 HG2 MET A 43 16.781 23.113 -1.955 1.00 0.00 H new ATOM 0 HG3 MET A 43 18.366 23.680 -2.443 1.00 0.00 H new ATOM 0 HE1 MET A 43 17.098 21.528 1.349 1.00 0.00 H new ATOM 0 HE2 MET A 43 17.097 23.293 1.577 1.00 0.00 H new ATOM 0 HE3 MET A 43 16.116 22.562 0.284 1.00 0.00 H new ATOM 602 N ALA A 44 14.279 24.790 -1.024 1.00 0.00 N ATOM 603 CA ALA A 44 13.050 24.007 -0.994 1.00 0.00 C ATOM 604 C ALA A 44 12.046 24.537 -2.006 1.00 0.00 C ATOM 605 O ALA A 44 11.344 23.761 -2.659 1.00 0.00 O ATOM 606 CB ALA A 44 12.449 24.006 0.405 1.00 0.00 C ATOM 0 H ALA A 44 14.493 25.270 -0.150 1.00 0.00 H new ATOM 0 HA ALA A 44 13.296 22.980 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.532 23.416 0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.161 23.572 1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.223 25.029 0.705 1.00 0.00 H new ATOM 612 N ASP A 45 11.995 25.862 -2.138 1.00 0.00 N ATOM 613 CA ASP A 45 11.111 26.514 -3.104 1.00 0.00 C ATOM 614 C ASP A 45 11.398 26.015 -4.513 1.00 0.00 C ATOM 615 O ASP A 45 10.483 25.650 -5.259 1.00 0.00 O ATOM 616 CB ASP A 45 11.276 28.035 -3.047 1.00 0.00 C ATOM 617 CG ASP A 45 10.365 28.755 -4.025 1.00 0.00 C ATOM 618 OD1 ASP A 45 9.223 29.085 -3.642 1.00 0.00 O ATOM 619 OD2 ASP A 45 10.789 29.001 -5.172 1.00 0.00 O ATOM 0 H ASP A 45 12.559 26.508 -1.585 1.00 0.00 H new ATOM 0 HA ASP A 45 10.083 26.263 -2.844 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.065 28.383 -2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.313 28.293 -3.263 1.00 0.00 H new ATOM 624 N SER A 46 12.680 25.981 -4.855 1.00 0.00 N ATOM 625 CA SER A 46 13.128 25.487 -6.148 1.00 0.00 C ATOM 626 C SER A 46 12.641 24.053 -6.369 1.00 0.00 C ATOM 627 O SER A 46 12.232 23.685 -7.472 1.00 0.00 O ATOM 628 CB SER A 46 14.658 25.546 -6.217 1.00 0.00 C ATOM 629 OG SER A 46 15.141 25.160 -7.493 1.00 0.00 O ATOM 0 H SER A 46 13.435 26.294 -4.245 1.00 0.00 H new ATOM 0 HA SER A 46 12.710 26.115 -6.934 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.994 26.558 -5.992 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.082 24.893 -5.455 1.00 0.00 H new ATOM 0 HG SER A 46 16.098 24.960 -7.434 1.00 0.00 H new ATOM 635 N VAL A 47 12.662 23.257 -5.306 1.00 0.00 N ATOM 636 CA VAL A 47 12.273 21.857 -5.393 1.00 0.00 C ATOM 637 C VAL A 47 10.784 21.707 -5.694 1.00 0.00 C ATOM 638 O VAL A 47 10.412 21.017 -6.645 1.00 0.00 O ATOM 639 CB VAL A 47 12.610 21.084 -4.100 1.00 0.00 C ATOM 640 CG1 VAL A 47 12.230 19.616 -4.234 1.00 0.00 C ATOM 641 CG2 VAL A 47 14.086 21.223 -3.766 1.00 0.00 C ATOM 0 H VAL A 47 12.945 23.559 -4.374 1.00 0.00 H new ATOM 0 HA VAL A 47 12.848 21.431 -6.215 1.00 0.00 H new ATOM 0 HB VAL A 47 12.028 21.514 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.476 19.091 -3.311 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.160 19.533 -4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.781 19.172 -5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.306 20.672 -2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.684 20.821 -4.584 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.329 22.276 -3.622 1.00 0.00 H new ATOM 651 N ASN A 48 9.926 22.357 -4.905 1.00 0.00 N ATOM 652 CA ASN A 48 8.493 22.186 -5.088 1.00 0.00 C ATOM 653 C ASN A 48 8.014 22.812 -6.385 1.00 0.00 C ATOM 654 O ASN A 48 7.092 22.296 -7.005 1.00 0.00 O ATOM 655 CB ASN A 48 7.662 22.716 -3.913 1.00 0.00 C ATOM 656 CG ASN A 48 7.911 24.167 -3.557 1.00 0.00 C ATOM 657 OD1 ASN A 48 8.608 24.384 -2.455 1.00 0.00 O flip ATOM 658 ND2 ASN A 48 7.427 25.079 -4.226 1.00 0.00 N flip ATOM 0 H ASN A 48 10.194 22.991 -4.152 1.00 0.00 H new ATOM 0 HA ASN A 48 8.336 21.108 -5.134 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.605 22.592 -4.149 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.867 22.102 -3.036 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.896 24.866 -5.070 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.557 26.048 -3.936 1.00 0.00 H new ATOM 665 N SER A 49 8.637 23.904 -6.808 1.00 0.00 N ATOM 666 CA SER A 49 8.260 24.523 -8.068 1.00 0.00 C ATOM 667 C SER A 49 8.512 23.557 -9.223 1.00 0.00 C ATOM 668 O SER A 49 7.635 23.330 -10.052 1.00 0.00 O ATOM 669 CB SER A 49 9.020 25.830 -8.293 1.00 0.00 C ATOM 670 OG SER A 49 8.543 26.495 -9.454 1.00 0.00 O ATOM 0 H SER A 49 9.392 24.371 -6.306 1.00 0.00 H new ATOM 0 HA SER A 49 7.196 24.758 -8.025 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.905 26.478 -7.424 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.085 25.624 -8.398 1.00 0.00 H new ATOM 0 HG SER A 49 8.015 27.277 -9.189 1.00 0.00 H new ATOM 676 N GLN A 50 9.700 22.960 -9.252 1.00 0.00 N ATOM 677 CA GLN A 50 10.042 21.989 -10.289 1.00 0.00 C ATOM 678 C GLN A 50 9.122 20.772 -10.217 1.00 0.00 C ATOM 679 O GLN A 50 8.808 20.157 -11.236 1.00 0.00 O ATOM 680 CB GLN A 50 11.504 21.560 -10.158 1.00 0.00 C ATOM 681 CG GLN A 50 12.488 22.663 -10.515 1.00 0.00 C ATOM 682 CD GLN A 50 13.928 22.265 -10.265 1.00 0.00 C ATOM 683 OE1 GLN A 50 14.587 21.695 -11.136 1.00 0.00 O ATOM 684 NE2 GLN A 50 14.433 22.577 -9.083 1.00 0.00 N ATOM 0 H GLN A 50 10.441 23.130 -8.572 1.00 0.00 H new ATOM 0 HA GLN A 50 9.904 22.465 -11.260 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.690 21.234 -9.135 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.683 20.700 -10.804 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.366 22.928 -11.565 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.255 23.554 -9.932 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.853 23.049 -8.389 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.402 22.345 -8.865 1.00 0.00 H new ATOM 693 N MET A 51 8.679 20.444 -9.010 1.00 0.00 N ATOM 694 CA MET A 51 7.761 19.330 -8.802 1.00 0.00 C ATOM 695 C MET A 51 6.346 19.698 -9.263 1.00 0.00 C ATOM 696 O MET A 51 5.582 18.839 -9.693 1.00 0.00 O ATOM 697 CB MET A 51 7.777 18.907 -7.327 1.00 0.00 C ATOM 698 CG MET A 51 6.815 17.778 -6.989 1.00 0.00 C ATOM 699 SD MET A 51 5.285 18.370 -6.238 1.00 0.00 S ATOM 700 CE MET A 51 5.901 19.027 -4.688 1.00 0.00 C ATOM 0 H MET A 51 8.942 20.936 -8.156 1.00 0.00 H new ATOM 0 HA MET A 51 8.090 18.483 -9.404 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.788 18.599 -7.060 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.534 19.772 -6.710 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.579 17.223 -7.897 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.304 17.081 -6.308 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.113 18.985 -3.936 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.752 18.434 -4.354 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.213 20.062 -4.830 1.00 0.00 H new ATOM 710 N GLN A 52 6.012 20.983 -9.193 1.00 0.00 N ATOM 711 CA GLN A 52 4.731 21.464 -9.703 1.00 0.00 C ATOM 712 C GLN A 52 4.695 21.359 -11.223 1.00 0.00 C ATOM 713 O GLN A 52 3.676 20.995 -11.810 1.00 0.00 O ATOM 714 CB GLN A 52 4.492 22.916 -9.284 1.00 0.00 C ATOM 715 CG GLN A 52 4.289 23.101 -7.792 1.00 0.00 C ATOM 716 CD GLN A 52 4.225 24.560 -7.399 1.00 0.00 C ATOM 717 OE1 GLN A 52 3.789 25.407 -8.178 1.00 0.00 O ATOM 718 NE2 GLN A 52 4.657 24.863 -6.188 1.00 0.00 N ATOM 0 H GLN A 52 6.607 21.707 -8.790 1.00 0.00 H new ATOM 0 HA GLN A 52 3.943 20.841 -9.280 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.342 23.520 -9.603 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.616 23.296 -9.810 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.367 22.604 -7.488 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.104 22.617 -7.254 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.011 24.129 -5.574 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.637 25.831 -5.867 1.00 0.00 H new ATOM 727 N LYS A 53 5.818 21.690 -11.856 1.00 0.00 N ATOM 728 CA LYS A 53 5.949 21.581 -13.304 1.00 0.00 C ATOM 729 C LYS A 53 6.135 20.124 -13.722 1.00 0.00 C ATOM 730 O LYS A 53 6.117 19.797 -14.908 1.00 0.00 O ATOM 731 CB LYS A 53 7.125 22.430 -13.800 1.00 0.00 C ATOM 732 CG LYS A 53 6.856 23.933 -13.830 1.00 0.00 C ATOM 733 CD LYS A 53 6.533 24.497 -12.454 1.00 0.00 C ATOM 734 CE LYS A 53 6.358 26.005 -12.479 1.00 0.00 C ATOM 735 NZ LYS A 53 6.040 26.545 -11.130 1.00 0.00 N ATOM 0 H LYS A 53 6.653 22.037 -11.385 1.00 0.00 H new ATOM 0 HA LYS A 53 5.031 21.955 -13.759 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.987 22.241 -13.161 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.395 22.102 -14.804 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.729 24.447 -14.233 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.026 24.136 -14.506 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.621 24.033 -12.078 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.332 24.237 -11.760 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.270 26.471 -12.852 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.560 26.267 -13.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.795 27.553 -11.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.235 26.023 -10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.867 26.437 -10.509 1.00 0.00 H new ATOM 749 N MET A 54 6.331 19.256 -12.738 1.00 0.00 N ATOM 750 CA MET A 54 6.386 17.822 -12.973 1.00 0.00 C ATOM 751 C MET A 54 4.986 17.296 -13.261 1.00 0.00 C ATOM 752 O MET A 54 4.754 16.625 -14.265 1.00 0.00 O ATOM 753 CB MET A 54 6.965 17.105 -11.752 1.00 0.00 C ATOM 754 CG MET A 54 6.866 15.593 -11.835 1.00 0.00 C ATOM 755 SD MET A 54 7.097 14.778 -10.242 1.00 0.00 S ATOM 756 CE MET A 54 8.771 15.261 -9.843 1.00 0.00 C ATOM 0 H MET A 54 6.455 19.525 -11.762 1.00 0.00 H new ATOM 0 HA MET A 54 7.030 17.630 -13.831 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.012 17.387 -11.637 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.443 17.447 -10.858 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.890 15.321 -12.237 1.00 0.00 H new ATOM 0 HG3 MET A 54 7.614 15.224 -12.537 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.234 14.492 -9.225 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.344 15.382 -10.762 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.757 16.205 -9.298 1.00 0.00 H new ATOM 766 N GLY A 55 4.061 17.614 -12.364 1.00 0.00 N ATOM 767 CA GLY A 55 2.684 17.205 -12.535 1.00 0.00 C ATOM 768 C GLY A 55 2.371 15.905 -11.818 1.00 0.00 C ATOM 769 O GLY A 55 3.226 15.027 -11.724 1.00 0.00 O ATOM 0 H GLY A 55 4.244 18.151 -11.517 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.026 17.990 -12.161 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.472 17.090 -13.598 1.00 0.00 H new ATOM 773 N PRO A 56 1.147 15.762 -11.286 1.00 0.00 N ATOM 774 CA PRO A 56 0.708 14.527 -10.636 1.00 0.00 C ATOM 775 C PRO A 56 0.651 13.370 -11.624 1.00 0.00 C ATOM 776 O PRO A 56 0.017 13.477 -12.680 1.00 0.00 O ATOM 777 CB PRO A 56 -0.693 14.866 -10.119 1.00 0.00 C ATOM 778 CG PRO A 56 -1.140 16.006 -10.963 1.00 0.00 C ATOM 779 CD PRO A 56 0.098 16.793 -11.276 1.00 0.00 C ATOM 0 HA PRO A 56 1.389 14.208 -9.847 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.367 14.015 -10.214 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.671 15.139 -9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.620 15.652 -11.876 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.871 16.620 -10.436 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.022 17.301 -12.237 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.291 17.559 -10.525 1.00 0.00 H new ATOM 787 N ASN A 57 1.314 12.275 -11.269 1.00 0.00 N ATOM 788 CA ASN A 57 1.447 11.111 -12.149 1.00 0.00 C ATOM 789 C ASN A 57 2.172 11.501 -13.438 1.00 0.00 C ATOM 790 O ASN A 57 1.566 11.585 -14.510 1.00 0.00 O ATOM 791 CB ASN A 57 0.077 10.499 -12.468 1.00 0.00 C ATOM 792 CG ASN A 57 -0.644 9.994 -11.230 1.00 0.00 C ATOM 793 OD1 ASN A 57 -0.021 9.530 -10.272 1.00 0.00 O ATOM 794 ND2 ASN A 57 -1.963 10.087 -11.234 1.00 0.00 N ATOM 0 H ASN A 57 1.775 12.165 -10.366 1.00 0.00 H new ATOM 0 HA ASN A 57 2.038 10.358 -11.628 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.543 11.246 -12.965 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.207 9.675 -13.169 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.499 9.769 -10.426 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.444 10.476 -12.045 1.00 0.00 H new ATOM 801 N PRO A 58 3.478 11.779 -13.335 1.00 0.00 N ATOM 802 CA PRO A 58 4.290 12.262 -14.445 1.00 0.00 C ATOM 803 C PRO A 58 5.045 11.143 -15.168 1.00 0.00 C ATOM 804 O PRO A 58 5.011 9.988 -14.740 1.00 0.00 O ATOM 805 CB PRO A 58 5.263 13.183 -13.715 1.00 0.00 C ATOM 806 CG PRO A 58 5.491 12.523 -12.392 1.00 0.00 C ATOM 807 CD PRO A 58 4.287 11.656 -12.111 1.00 0.00 C ATOM 0 HA PRO A 58 3.701 12.732 -15.233 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.195 13.293 -14.269 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.846 14.182 -13.592 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.401 11.923 -12.413 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.620 13.269 -11.607 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.573 10.621 -11.922 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.741 12.001 -11.233 1.00 0.00 H new ATOM 815 N PRO A 59 5.733 11.463 -16.282 1.00 0.00 N ATOM 816 CA PRO A 59 6.556 10.487 -16.999 1.00 0.00 C ATOM 817 C PRO A 59 7.749 10.034 -16.160 1.00 0.00 C ATOM 818 O PRO A 59 8.365 10.840 -15.455 1.00 0.00 O ATOM 819 CB PRO A 59 7.024 11.241 -18.247 1.00 0.00 C ATOM 820 CG PRO A 59 6.893 12.684 -17.905 1.00 0.00 C ATOM 821 CD PRO A 59 5.751 12.786 -16.931 1.00 0.00 C ATOM 0 HA PRO A 59 6.003 9.578 -17.235 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.054 10.988 -18.497 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.414 10.985 -19.113 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.815 13.064 -17.464 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.697 13.279 -18.797 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.911 13.586 -16.208 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.809 12.997 -17.437 1.00 0.00 H new ATOM 829 N GLN A 60 8.075 8.751 -16.267 1.00 0.00 N ATOM 830 CA GLN A 60 9.101 8.119 -15.434 1.00 0.00 C ATOM 831 C GLN A 60 10.432 8.872 -15.467 1.00 0.00 C ATOM 832 O GLN A 60 11.125 8.962 -14.454 1.00 0.00 O ATOM 833 CB GLN A 60 9.320 6.670 -15.880 1.00 0.00 C ATOM 834 CG GLN A 60 8.062 5.817 -15.839 1.00 0.00 C ATOM 835 CD GLN A 60 7.463 5.722 -14.448 1.00 0.00 C ATOM 836 OE1 GLN A 60 6.632 6.536 -14.060 1.00 0.00 O ATOM 837 NE2 GLN A 60 7.881 4.721 -13.687 1.00 0.00 N ATOM 0 H GLN A 60 7.637 8.116 -16.934 1.00 0.00 H new ATOM 0 HA GLN A 60 8.737 8.145 -14.407 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.716 6.668 -16.896 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.077 6.214 -15.242 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.322 6.236 -16.521 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.296 4.815 -16.199 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.574 4.063 -14.045 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.510 4.608 -12.744 1.00 0.00 H new ATOM 846 N HIS A 61 10.781 9.427 -16.624 1.00 0.00 N ATOM 847 CA HIS A 61 12.063 10.113 -16.777 1.00 0.00 C ATOM 848 C HIS A 61 12.131 11.380 -15.922 1.00 0.00 C ATOM 849 O HIS A 61 13.215 11.823 -15.559 1.00 0.00 O ATOM 850 CB HIS A 61 12.361 10.430 -18.256 1.00 0.00 C ATOM 851 CG HIS A 61 11.446 11.430 -18.902 1.00 0.00 C ATOM 852 ND1 HIS A 61 10.522 11.093 -19.865 1.00 0.00 N ATOM 853 CD2 HIS A 61 11.348 12.769 -18.746 1.00 0.00 C ATOM 854 CE1 HIS A 61 9.897 12.183 -20.272 1.00 0.00 C ATOM 855 NE2 HIS A 61 10.378 13.217 -19.609 1.00 0.00 N ATOM 0 H HIS A 61 10.201 9.417 -17.463 1.00 0.00 H new ATOM 0 HA HIS A 61 12.835 9.431 -16.420 1.00 0.00 H new ATOM 0 HB2 HIS A 61 13.384 10.799 -18.331 1.00 0.00 H new ATOM 0 HB3 HIS A 61 12.314 9.501 -18.825 1.00 0.00 H new ATOM 0 HD2 HIS A 61 11.927 13.376 -18.066 1.00 0.00 H new ATOM 0 HE1 HIS A 61 9.121 12.221 -21.023 1.00 0.00 H new ATOM 0 HE2 HIS A 61 10.080 14.186 -19.719 1.00 0.00 H new ATOM 863 N ARG A 62 10.976 11.955 -15.588 1.00 0.00 N ATOM 864 CA ARG A 62 10.945 13.138 -14.732 1.00 0.00 C ATOM 865 C ARG A 62 11.328 12.766 -13.307 1.00 0.00 C ATOM 866 O ARG A 62 11.959 13.545 -12.598 1.00 0.00 O ATOM 867 CB ARG A 62 9.561 13.794 -14.753 1.00 0.00 C ATOM 868 CG ARG A 62 9.321 14.689 -15.960 1.00 0.00 C ATOM 869 CD ARG A 62 10.126 15.978 -15.868 1.00 0.00 C ATOM 870 NE ARG A 62 9.973 16.808 -17.062 1.00 0.00 N ATOM 871 CZ ARG A 62 9.533 18.068 -17.056 1.00 0.00 C ATOM 872 NH1 ARG A 62 9.143 18.643 -15.922 1.00 0.00 N ATOM 873 NH2 ARG A 62 9.481 18.753 -18.189 1.00 0.00 N ATOM 0 H ARG A 62 10.060 11.625 -15.893 1.00 0.00 H new ATOM 0 HA ARG A 62 11.668 13.856 -15.118 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.800 13.014 -14.734 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.435 14.384 -13.845 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.592 14.154 -16.870 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.260 14.926 -16.033 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.807 16.542 -14.991 1.00 0.00 H new ATOM 0 HD3 ARG A 62 11.180 15.738 -15.727 1.00 0.00 H new ATOM 0 HE ARG A 62 10.220 16.396 -17.962 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.179 18.121 -15.047 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.808 19.606 -15.928 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.777 18.317 -19.062 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.145 19.716 -18.188 1.00 0.00 H new ATOM 887 N LEU A 63 10.962 11.558 -12.911 1.00 0.00 N ATOM 888 CA LEU A 63 11.297 11.038 -11.590 1.00 0.00 C ATOM 889 C LEU A 63 12.811 10.924 -11.436 1.00 0.00 C ATOM 890 O LEU A 63 13.377 11.262 -10.394 1.00 0.00 O ATOM 891 CB LEU A 63 10.654 9.660 -11.392 1.00 0.00 C ATOM 892 CG LEU A 63 9.182 9.644 -10.948 1.00 0.00 C ATOM 893 CD1 LEU A 63 8.348 10.627 -11.751 1.00 0.00 C ATOM 894 CD2 LEU A 63 8.608 8.245 -11.098 1.00 0.00 C ATOM 0 H LEU A 63 10.427 10.911 -13.491 1.00 0.00 H new ATOM 0 HA LEU A 63 10.914 11.726 -10.836 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.733 9.109 -12.329 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.239 9.114 -10.652 1.00 0.00 H new ATOM 0 HG LEU A 63 9.147 9.945 -9.901 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.313 10.589 -11.411 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.739 11.635 -11.612 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.392 10.363 -12.808 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.565 8.244 -10.781 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.671 7.936 -12.141 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.176 7.550 -10.479 1.00 0.00 H new ATOM 906 N ARG A 64 13.458 10.465 -12.497 1.00 0.00 N ATOM 907 CA ARG A 64 14.898 10.255 -12.491 1.00 0.00 C ATOM 908 C ARG A 64 15.648 11.573 -12.696 1.00 0.00 C ATOM 909 O ARG A 64 16.858 11.655 -12.490 1.00 0.00 O ATOM 910 CB ARG A 64 15.272 9.242 -13.574 1.00 0.00 C ATOM 911 CG ARG A 64 16.751 8.908 -13.610 1.00 0.00 C ATOM 912 CD ARG A 64 17.047 7.793 -14.593 1.00 0.00 C ATOM 913 NE ARG A 64 18.483 7.539 -14.700 1.00 0.00 N ATOM 914 CZ ARG A 64 19.143 6.642 -13.965 1.00 0.00 C ATOM 915 NH1 ARG A 64 18.494 5.891 -13.082 1.00 0.00 N ATOM 916 NH2 ARG A 64 20.453 6.499 -14.112 1.00 0.00 N ATOM 0 H ARG A 64 13.004 10.229 -13.380 1.00 0.00 H new ATOM 0 HA ARG A 64 15.191 9.860 -11.518 1.00 0.00 H new ATOM 0 HB2 ARG A 64 14.705 8.325 -13.413 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.973 9.635 -14.546 1.00 0.00 H new ATOM 0 HG2 ARG A 64 17.319 9.797 -13.885 1.00 0.00 H new ATOM 0 HG3 ARG A 64 17.083 8.614 -12.614 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.538 6.883 -14.276 1.00 0.00 H new ATOM 0 HD3 ARG A 64 16.649 8.056 -15.573 1.00 0.00 H new ATOM 0 HE ARG A 64 19.014 8.082 -15.380 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.487 5.999 -12.964 1.00 0.00 H new ATOM 0 HH12 ARG A 64 19.003 5.207 -12.523 1.00 0.00 H new ATOM 0 HH21 ARG A 64 20.956 7.075 -14.787 1.00 0.00 H new ATOM 0 HH22 ARG A 64 20.957 5.813 -13.550 1.00 0.00 H new ATOM 930 N ALA A 65 14.920 12.611 -13.076 1.00 0.00 N ATOM 931 CA ALA A 65 15.524 13.912 -13.319 1.00 0.00 C ATOM 932 C ALA A 65 15.537 14.763 -12.053 1.00 0.00 C ATOM 933 O ALA A 65 16.171 15.818 -12.005 1.00 0.00 O ATOM 934 CB ALA A 65 14.779 14.636 -14.434 1.00 0.00 C ATOM 0 H ALA A 65 13.911 12.578 -13.223 1.00 0.00 H new ATOM 0 HA ALA A 65 16.558 13.752 -13.625 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.240 15.609 -14.607 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.827 14.044 -15.348 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.737 14.774 -14.145 1.00 0.00 H new ATOM 940 N MET A 66 14.839 14.305 -11.023 1.00 0.00 N ATOM 941 CA MET A 66 14.682 15.102 -9.811 1.00 0.00 C ATOM 942 C MET A 66 15.798 14.842 -8.808 1.00 0.00 C ATOM 943 O MET A 66 16.176 15.741 -8.057 1.00 0.00 O ATOM 944 CB MET A 66 13.326 14.835 -9.163 1.00 0.00 C ATOM 945 CG MET A 66 12.151 15.281 -10.015 1.00 0.00 C ATOM 946 SD MET A 66 12.209 17.034 -10.438 1.00 0.00 S ATOM 947 CE MET A 66 12.044 17.790 -8.820 1.00 0.00 C ATOM 0 H MET A 66 14.376 13.396 -11.000 1.00 0.00 H new ATOM 0 HA MET A 66 14.738 16.149 -10.107 1.00 0.00 H new ATOM 0 HB2 MET A 66 13.233 13.768 -8.959 1.00 0.00 H new ATOM 0 HB3 MET A 66 13.284 15.348 -8.202 1.00 0.00 H new ATOM 0 HG2 MET A 66 12.131 14.692 -10.932 1.00 0.00 H new ATOM 0 HG3 MET A 66 11.223 15.072 -9.482 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.832 18.853 -8.935 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.228 17.314 -8.277 1.00 0.00 H new ATOM 0 HE3 MET A 66 12.972 17.664 -8.263 1.00 0.00 H new ATOM 957 N ASN A 67 16.336 13.627 -8.794 1.00 0.00 N ATOM 958 CA ASN A 67 17.384 13.289 -7.835 1.00 0.00 C ATOM 959 C ASN A 67 18.640 14.120 -8.087 1.00 0.00 C ATOM 960 O ASN A 67 19.228 14.657 -7.152 1.00 0.00 O ATOM 961 CB ASN A 67 17.718 11.789 -7.852 1.00 0.00 C ATOM 962 CG ASN A 67 18.058 11.258 -9.232 1.00 0.00 C ATOM 963 OD1 ASN A 67 19.193 11.367 -9.695 1.00 0.00 O ATOM 964 ND2 ASN A 67 17.083 10.649 -9.886 1.00 0.00 N ATOM 0 H ASN A 67 16.070 12.870 -9.424 1.00 0.00 H new ATOM 0 HA ASN A 67 17.000 13.528 -6.843 1.00 0.00 H new ATOM 0 HB2 ASN A 67 18.559 11.605 -7.184 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.869 11.232 -7.456 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.259 10.249 -10.808 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.155 10.579 -9.469 1.00 0.00 H new ATOM 971 N THR A 68 19.025 14.244 -9.353 1.00 0.00 N ATOM 972 CA THR A 68 20.190 15.038 -9.724 1.00 0.00 C ATOM 973 C THR A 68 19.983 16.507 -9.364 1.00 0.00 C ATOM 974 O THR A 68 20.846 17.137 -8.752 1.00 0.00 O ATOM 975 CB THR A 68 20.467 14.934 -11.236 1.00 0.00 C ATOM 976 OG1 THR A 68 20.271 13.583 -11.678 1.00 0.00 O ATOM 977 CG2 THR A 68 21.887 15.380 -11.560 1.00 0.00 C ATOM 0 H THR A 68 18.547 13.804 -10.139 1.00 0.00 H new ATOM 0 HA THR A 68 21.042 14.643 -9.170 1.00 0.00 H new ATOM 0 HB THR A 68 19.771 15.591 -11.757 1.00 0.00 H new ATOM 0 HG1 THR A 68 20.447 13.525 -12.640 1.00 0.00 H new ATOM 0 HG21 THR A 68 22.058 15.297 -12.633 1.00 0.00 H new ATOM 0 HG22 THR A 68 22.023 16.416 -11.249 1.00 0.00 H new ATOM 0 HG23 THR A 68 22.597 14.746 -11.029 1.00 0.00 H new ATOM 985 N ALA A 69 18.820 17.034 -9.731 1.00 0.00 N ATOM 986 CA ALA A 69 18.510 18.443 -9.525 1.00 0.00 C ATOM 987 C ALA A 69 18.480 18.805 -8.042 1.00 0.00 C ATOM 988 O ALA A 69 19.097 19.785 -7.628 1.00 0.00 O ATOM 989 CB ALA A 69 17.181 18.785 -10.182 1.00 0.00 C ATOM 0 H ALA A 69 18.072 16.502 -10.176 1.00 0.00 H new ATOM 0 HA ALA A 69 19.302 19.031 -9.989 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.957 19.840 -10.023 1.00 0.00 H new ATOM 0 HB2 ALA A 69 17.242 18.584 -11.252 1.00 0.00 H new ATOM 0 HB3 ALA A 69 16.391 18.176 -9.743 1.00 0.00 H new ATOM 995 N MET A 70 17.784 18.000 -7.244 1.00 0.00 N ATOM 996 CA MET A 70 17.603 18.304 -5.825 1.00 0.00 C ATOM 997 C MET A 70 18.928 18.174 -5.080 1.00 0.00 C ATOM 998 O MET A 70 19.271 19.017 -4.250 1.00 0.00 O ATOM 999 CB MET A 70 16.542 17.383 -5.209 1.00 0.00 C ATOM 1000 CG MET A 70 15.996 17.873 -3.871 1.00 0.00 C ATOM 1001 SD MET A 70 17.034 17.434 -2.461 1.00 0.00 S ATOM 1002 CE MET A 70 16.548 15.730 -2.194 1.00 0.00 C ATOM 0 H MET A 70 17.338 17.136 -7.552 1.00 0.00 H new ATOM 0 HA MET A 70 17.257 19.333 -5.732 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.715 17.278 -5.911 1.00 0.00 H new ATOM 0 HB3 MET A 70 16.972 16.391 -5.073 1.00 0.00 H new ATOM 0 HG2 MET A 70 15.887 18.957 -3.908 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.999 17.458 -3.721 1.00 0.00 H new ATOM 0 HE1 MET A 70 17.106 15.320 -1.352 1.00 0.00 H new ATOM 0 HE2 MET A 70 15.480 15.686 -1.978 1.00 0.00 H new ATOM 0 HE3 MET A 70 16.762 15.146 -3.089 1.00 0.00 H new ATOM 1012 N ALA A 71 19.683 17.131 -5.410 1.00 0.00 N ATOM 1013 CA ALA A 71 20.983 16.898 -4.791 1.00 0.00 C ATOM 1014 C ALA A 71 21.955 18.031 -5.109 1.00 0.00 C ATOM 1015 O ALA A 71 22.851 18.333 -4.321 1.00 0.00 O ATOM 1016 CB ALA A 71 21.552 15.567 -5.255 1.00 0.00 C ATOM 0 H ALA A 71 19.416 16.433 -6.104 1.00 0.00 H new ATOM 0 HA ALA A 71 20.845 16.868 -3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 71 22.523 15.403 -4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 71 20.873 14.763 -4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 71 21.669 15.579 -6.339 1.00 0.00 H new ATOM 1022 N ALA A 72 21.767 18.663 -6.260 1.00 0.00 N ATOM 1023 CA ALA A 72 22.619 19.773 -6.663 1.00 0.00 C ATOM 1024 C ALA A 72 22.236 21.053 -5.924 1.00 0.00 C ATOM 1025 O ALA A 72 23.056 21.956 -5.764 1.00 0.00 O ATOM 1026 CB ALA A 72 22.538 19.984 -8.168 1.00 0.00 C ATOM 0 H ALA A 72 21.034 18.427 -6.929 1.00 0.00 H new ATOM 0 HA ALA A 72 23.647 19.525 -6.399 1.00 0.00 H new ATOM 0 HB1 ALA A 72 23.180 20.817 -8.454 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.867 19.080 -8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.509 20.206 -8.449 1.00 0.00 H new ATOM 1032 N GLU A 73 20.988 21.129 -5.476 1.00 0.00 N ATOM 1033 CA GLU A 73 20.505 22.304 -4.757 1.00 0.00 C ATOM 1034 C GLU A 73 21.027 22.305 -3.323 1.00 0.00 C ATOM 1035 O GLU A 73 21.511 23.325 -2.831 1.00 0.00 O ATOM 1036 CB GLU A 73 18.973 22.354 -4.760 1.00 0.00 C ATOM 1037 CG GLU A 73 18.358 22.409 -6.152 1.00 0.00 C ATOM 1038 CD GLU A 73 18.676 23.695 -6.894 1.00 0.00 C ATOM 1039 OE1 GLU A 73 19.839 23.880 -7.310 1.00 0.00 O ATOM 1040 OE2 GLU A 73 17.756 24.519 -7.086 1.00 0.00 O ATOM 0 H GLU A 73 20.293 20.393 -5.597 1.00 0.00 H new ATOM 0 HA GLU A 73 20.880 23.190 -5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.590 21.476 -4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 73 18.647 23.227 -4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 73 18.718 21.562 -6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.276 22.302 -6.069 1.00 0.00 H new ATOM 1047 N VAL A 74 20.943 21.151 -2.664 1.00 0.00 N ATOM 1048 CA VAL A 74 21.413 21.018 -1.285 1.00 0.00 C ATOM 1049 C VAL A 74 22.934 21.148 -1.201 1.00 0.00 C ATOM 1050 O VAL A 74 23.480 21.517 -0.163 1.00 0.00 O ATOM 1051 CB VAL A 74 20.988 19.673 -0.657 1.00 0.00 C ATOM 1052 CG1 VAL A 74 19.478 19.564 -0.572 1.00 0.00 C ATOM 1053 CG2 VAL A 74 21.553 18.502 -1.441 1.00 0.00 C ATOM 0 H VAL A 74 20.555 20.295 -3.061 1.00 0.00 H new ATOM 0 HA VAL A 74 20.948 21.829 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 74 21.394 19.640 0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 74 19.207 18.607 -0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.089 20.375 0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 74 19.051 19.632 -1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 74 21.238 17.567 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 74 21.186 18.540 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 74 22.642 18.557 -1.443 1.00 0.00 H new ATOM 1063 N ALA A 75 23.608 20.849 -2.303 1.00 0.00 N ATOM 1064 CA ALA A 75 25.066 20.909 -2.361 1.00 0.00 C ATOM 1065 C ALA A 75 25.583 22.325 -2.122 1.00 0.00 C ATOM 1066 O ALA A 75 26.685 22.511 -1.607 1.00 0.00 O ATOM 1067 CB ALA A 75 25.559 20.393 -3.704 1.00 0.00 C ATOM 0 H ALA A 75 23.166 20.560 -3.176 1.00 0.00 H new ATOM 0 HA ALA A 75 25.455 20.274 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 75 26.647 20.443 -3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.239 19.360 -3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.145 21.007 -4.504 1.00 0.00 H new ATOM 1073 N GLU A 76 24.774 23.317 -2.477 1.00 0.00 N ATOM 1074 CA GLU A 76 25.179 24.715 -2.371 1.00 0.00 C ATOM 1075 C GLU A 76 25.536 25.091 -0.936 1.00 0.00 C ATOM 1076 O GLU A 76 26.562 25.731 -0.692 1.00 0.00 O ATOM 1077 CB GLU A 76 24.071 25.628 -2.898 1.00 0.00 C ATOM 1078 CG GLU A 76 23.830 25.491 -4.395 1.00 0.00 C ATOM 1079 CD GLU A 76 24.966 26.059 -5.225 1.00 0.00 C ATOM 1080 OE1 GLU A 76 26.100 25.550 -5.125 1.00 0.00 O ATOM 1081 OE2 GLU A 76 24.727 27.028 -5.974 1.00 0.00 O ATOM 0 H GLU A 76 23.831 23.179 -2.842 1.00 0.00 H new ATOM 0 HA GLU A 76 26.073 24.848 -2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.145 25.406 -2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.327 26.663 -2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.696 24.438 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 76 22.903 26.001 -4.658 1.00 0.00 H new ATOM 1088 N VAL A 77 24.708 24.682 0.016 1.00 0.00 N ATOM 1089 CA VAL A 77 24.944 25.026 1.411 1.00 0.00 C ATOM 1090 C VAL A 77 26.118 24.231 1.981 1.00 0.00 C ATOM 1091 O VAL A 77 26.893 24.743 2.787 1.00 0.00 O ATOM 1092 CB VAL A 77 23.689 24.817 2.289 1.00 0.00 C ATOM 1093 CG1 VAL A 77 22.546 25.700 1.811 1.00 0.00 C ATOM 1094 CG2 VAL A 77 23.258 23.355 2.317 1.00 0.00 C ATOM 0 H VAL A 77 23.875 24.117 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 77 25.189 26.088 1.431 1.00 0.00 H new ATOM 0 HB VAL A 77 23.951 25.104 3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 77 21.672 25.538 2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 77 22.846 26.746 1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 77 22.300 25.449 0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 77 22.373 23.249 2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 77 23.027 23.024 1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 77 24.065 22.745 2.722 1.00 0.00 H new ATOM 1104 N VAL A 78 26.269 22.994 1.528 1.00 0.00 N ATOM 1105 CA VAL A 78 27.341 22.132 2.006 1.00 0.00 C ATOM 1106 C VAL A 78 28.694 22.618 1.486 1.00 0.00 C ATOM 1107 O VAL A 78 29.684 22.621 2.217 1.00 0.00 O ATOM 1108 CB VAL A 78 27.118 20.663 1.588 1.00 0.00 C ATOM 1109 CG1 VAL A 78 28.165 19.754 2.217 1.00 0.00 C ATOM 1110 CG2 VAL A 78 25.719 20.202 1.969 1.00 0.00 C ATOM 0 H VAL A 78 25.662 22.565 0.830 1.00 0.00 H new ATOM 0 HA VAL A 78 27.336 22.181 3.095 1.00 0.00 H new ATOM 0 HB VAL A 78 27.219 20.603 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.986 18.724 1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 78 29.158 20.064 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.101 19.822 3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.583 19.164 1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.590 20.284 3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.981 20.827 1.467 1.00 0.00 H new ATOM 1120 N ALA A 79 28.719 23.067 0.233 1.00 0.00 N ATOM 1121 CA ALA A 79 29.940 23.585 -0.382 1.00 0.00 C ATOM 1122 C ALA A 79 30.344 24.929 0.223 1.00 0.00 C ATOM 1123 O ALA A 79 31.407 25.468 -0.084 1.00 0.00 O ATOM 1124 CB ALA A 79 29.750 23.717 -1.886 1.00 0.00 C ATOM 0 H ALA A 79 27.903 23.083 -0.379 1.00 0.00 H new ATOM 0 HA ALA A 79 30.745 22.877 -0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 79 30.665 24.104 -2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.522 22.740 -2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.927 24.403 -2.090 1.00 0.00 H new ATOM 1130 N THR A 80 29.490 25.463 1.081 1.00 0.00 N ATOM 1131 CA THR A 80 29.764 26.719 1.759 1.00 0.00 C ATOM 1132 C THR A 80 30.461 26.454 3.101 1.00 0.00 C ATOM 1133 O THR A 80 30.936 27.374 3.770 1.00 0.00 O ATOM 1134 CB THR A 80 28.448 27.508 1.973 1.00 0.00 C ATOM 1135 OG1 THR A 80 27.795 27.709 0.709 1.00 0.00 O ATOM 1136 CG2 THR A 80 28.692 28.862 2.627 1.00 0.00 C ATOM 0 H THR A 80 28.594 25.042 1.326 1.00 0.00 H new ATOM 0 HA THR A 80 30.429 27.319 1.138 1.00 0.00 H new ATOM 0 HB THR A 80 27.819 26.919 2.640 1.00 0.00 H new ATOM 0 HG1 THR A 80 27.398 26.865 0.408 1.00 0.00 H new ATOM 0 HG21 THR A 80 27.742 29.380 2.757 1.00 0.00 H new ATOM 0 HG22 THR A 80 29.163 28.717 3.599 1.00 0.00 H new ATOM 0 HG23 THR A 80 29.347 29.460 1.993 1.00 0.00 H new ATOM 1144 N SER A 81 30.553 25.183 3.466 1.00 0.00 N ATOM 1145 CA SER A 81 31.107 24.793 4.753 1.00 0.00 C ATOM 1146 C SER A 81 32.595 24.452 4.647 1.00 0.00 C ATOM 1147 O SER A 81 33.004 23.701 3.761 1.00 0.00 O ATOM 1148 CB SER A 81 30.327 23.597 5.294 1.00 0.00 C ATOM 1149 OG SER A 81 28.948 23.912 5.408 1.00 0.00 O ATOM 0 H SER A 81 30.249 24.402 2.885 1.00 0.00 H new ATOM 0 HA SER A 81 31.015 25.636 5.438 1.00 0.00 H new ATOM 0 HB2 SER A 81 30.457 22.741 4.632 1.00 0.00 H new ATOM 0 HB3 SER A 81 30.722 23.309 6.268 1.00 0.00 H new ATOM 0 HG SER A 81 28.412 23.142 5.125 1.00 0.00 H new ATOM 1155 N PRO A 82 33.427 25.023 5.543 1.00 0.00 N ATOM 1156 CA PRO A 82 34.857 24.691 5.625 1.00 0.00 C ATOM 1157 C PRO A 82 35.070 23.223 5.987 1.00 0.00 C ATOM 1158 O PRO A 82 34.190 22.605 6.580 1.00 0.00 O ATOM 1159 CB PRO A 82 35.382 25.602 6.744 1.00 0.00 C ATOM 1160 CG PRO A 82 34.361 26.678 6.886 1.00 0.00 C ATOM 1161 CD PRO A 82 33.046 26.048 6.528 1.00 0.00 C ATOM 0 HA PRO A 82 35.370 24.840 4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 82 35.504 25.050 7.676 1.00 0.00 H new ATOM 0 HB3 PRO A 82 36.357 26.016 6.489 1.00 0.00 H new ATOM 0 HG2 PRO A 82 34.343 27.067 7.904 1.00 0.00 H new ATOM 0 HG3 PRO A 82 34.584 27.517 6.227 1.00 0.00 H new ATOM 0 HD2 PRO A 82 32.558 25.610 7.399 1.00 0.00 H new ATOM 0 HD3 PRO A 82 32.352 26.775 6.106 1.00 0.00 H new ATOM 1169 N PRO A 83 36.249 22.656 5.657 1.00 0.00 N ATOM 1170 CA PRO A 83 36.541 21.224 5.847 1.00 0.00 C ATOM 1171 C PRO A 83 36.089 20.660 7.198 1.00 0.00 C ATOM 1172 O PRO A 83 35.433 19.620 7.251 1.00 0.00 O ATOM 1173 CB PRO A 83 38.060 21.171 5.738 1.00 0.00 C ATOM 1174 CG PRO A 83 38.398 22.269 4.797 1.00 0.00 C ATOM 1175 CD PRO A 83 37.400 23.366 5.059 1.00 0.00 C ATOM 0 HA PRO A 83 36.003 20.616 5.119 1.00 0.00 H new ATOM 0 HB2 PRO A 83 38.534 21.319 6.708 1.00 0.00 H new ATOM 0 HB3 PRO A 83 38.399 20.206 5.361 1.00 0.00 H new ATOM 0 HG2 PRO A 83 39.416 22.622 4.960 1.00 0.00 H new ATOM 0 HG3 PRO A 83 38.340 21.928 3.763 1.00 0.00 H new ATOM 0 HD2 PRO A 83 37.802 24.120 5.736 1.00 0.00 H new ATOM 0 HD3 PRO A 83 37.120 23.881 4.140 1.00 0.00 H new ATOM 1183 N GLN A 84 36.434 21.348 8.282 1.00 0.00 N ATOM 1184 CA GLN A 84 36.109 20.873 9.627 1.00 0.00 C ATOM 1185 C GLN A 84 34.599 20.815 9.864 1.00 0.00 C ATOM 1186 O GLN A 84 34.101 19.902 10.518 1.00 0.00 O ATOM 1187 CB GLN A 84 36.781 21.759 10.679 1.00 0.00 C ATOM 1188 CG GLN A 84 36.428 23.234 10.566 1.00 0.00 C ATOM 1189 CD GLN A 84 37.189 24.088 11.559 1.00 0.00 C ATOM 1190 OE1 GLN A 84 38.315 23.767 11.932 1.00 0.00 O ATOM 1191 NE2 GLN A 84 36.578 25.176 11.996 1.00 0.00 N ATOM 0 H GLN A 84 36.938 22.235 8.258 1.00 0.00 H new ATOM 0 HA GLN A 84 36.492 19.857 9.718 1.00 0.00 H new ATOM 0 HB2 GLN A 84 36.500 21.404 11.671 1.00 0.00 H new ATOM 0 HB3 GLN A 84 37.862 21.648 10.595 1.00 0.00 H new ATOM 0 HG2 GLN A 84 36.642 23.580 9.555 1.00 0.00 H new ATOM 0 HG3 GLN A 84 35.357 23.362 10.726 1.00 0.00 H new ATOM 0 HE21 GLN A 84 35.643 25.405 11.660 1.00 0.00 H new ATOM 0 HE22 GLN A 84 37.042 25.786 12.669 1.00 0.00 H new ATOM 1200 N SER A 85 33.873 21.775 9.310 1.00 0.00 N ATOM 1201 CA SER A 85 32.434 21.854 9.511 1.00 0.00 C ATOM 1202 C SER A 85 31.700 21.070 8.427 1.00 0.00 C ATOM 1203 O SER A 85 30.513 20.766 8.553 1.00 0.00 O ATOM 1204 CB SER A 85 31.997 23.319 9.485 1.00 0.00 C ATOM 1205 OG SER A 85 32.852 24.118 10.287 1.00 0.00 O ATOM 0 H SER A 85 34.257 22.511 8.717 1.00 0.00 H new ATOM 0 HA SER A 85 32.186 21.418 10.479 1.00 0.00 H new ATOM 0 HB2 SER A 85 32.006 23.687 8.459 1.00 0.00 H new ATOM 0 HB3 SER A 85 30.972 23.403 9.845 1.00 0.00 H new ATOM 0 HG SER A 85 32.554 25.051 10.254 1.00 0.00 H new ATOM 1211 N TYR A 86 32.435 20.729 7.377 1.00 0.00 N ATOM 1212 CA TYR A 86 31.877 20.093 6.194 1.00 0.00 C ATOM 1213 C TYR A 86 31.163 18.792 6.541 1.00 0.00 C ATOM 1214 O TYR A 86 29.981 18.632 6.245 1.00 0.00 O ATOM 1215 CB TYR A 86 32.995 19.832 5.186 1.00 0.00 C ATOM 1216 CG TYR A 86 32.517 19.359 3.835 1.00 0.00 C ATOM 1217 CD1 TYR A 86 32.345 18.007 3.572 1.00 0.00 C ATOM 1218 CD2 TYR A 86 32.253 20.266 2.820 1.00 0.00 C ATOM 1219 CE1 TYR A 86 31.926 17.573 2.333 1.00 0.00 C ATOM 1220 CE2 TYR A 86 31.828 19.840 1.579 1.00 0.00 C ATOM 1221 CZ TYR A 86 31.668 18.492 1.339 1.00 0.00 C ATOM 1222 OH TYR A 86 31.261 18.058 0.101 1.00 0.00 O ATOM 0 H TYR A 86 33.441 20.887 7.323 1.00 0.00 H new ATOM 0 HA TYR A 86 31.137 20.764 5.758 1.00 0.00 H new ATOM 0 HB2 TYR A 86 33.570 20.748 5.054 1.00 0.00 H new ATOM 0 HB3 TYR A 86 33.674 19.086 5.599 1.00 0.00 H new ATOM 0 HD1 TYR A 86 32.542 17.284 4.350 1.00 0.00 H new ATOM 0 HD2 TYR A 86 32.382 21.322 3.004 1.00 0.00 H new ATOM 0 HE1 TYR A 86 31.800 16.517 2.142 1.00 0.00 H new ATOM 0 HE2 TYR A 86 31.622 20.559 0.800 1.00 0.00 H new ATOM 0 HH TYR A 86 30.762 17.220 0.196 1.00 0.00 H new ATOM 1232 N SER A 87 31.878 17.869 7.178 1.00 0.00 N ATOM 1233 CA SER A 87 31.306 16.572 7.522 1.00 0.00 C ATOM 1234 C SER A 87 30.187 16.714 8.550 1.00 0.00 C ATOM 1235 O SER A 87 29.261 15.908 8.580 1.00 0.00 O ATOM 1236 CB SER A 87 32.387 15.623 8.040 1.00 0.00 C ATOM 1237 OG SER A 87 33.300 15.282 7.009 1.00 0.00 O ATOM 0 H SER A 87 32.849 17.994 7.465 1.00 0.00 H new ATOM 0 HA SER A 87 30.878 16.149 6.613 1.00 0.00 H new ATOM 0 HB2 SER A 87 32.923 16.092 8.865 1.00 0.00 H new ATOM 0 HB3 SER A 87 31.924 14.719 8.434 1.00 0.00 H new ATOM 0 HG SER A 87 33.983 14.676 7.364 1.00 0.00 H new ATOM 1243 N ALA A 88 30.257 17.756 9.367 1.00 0.00 N ATOM 1244 CA ALA A 88 29.236 17.994 10.377 1.00 0.00 C ATOM 1245 C ALA A 88 27.920 18.359 9.705 1.00 0.00 C ATOM 1246 O ALA A 88 26.851 17.880 10.090 1.00 0.00 O ATOM 1247 CB ALA A 88 29.679 19.091 11.333 1.00 0.00 C ATOM 0 H ALA A 88 31.007 18.447 9.350 1.00 0.00 H new ATOM 0 HA ALA A 88 29.090 17.082 10.956 1.00 0.00 H new ATOM 0 HB1 ALA A 88 28.904 19.256 12.082 1.00 0.00 H new ATOM 0 HB2 ALA A 88 30.603 18.791 11.827 1.00 0.00 H new ATOM 0 HB3 ALA A 88 29.848 20.013 10.776 1.00 0.00 H new ATOM 1253 N VAL A 89 28.016 19.190 8.679 1.00 0.00 N ATOM 1254 CA VAL A 89 26.858 19.575 7.891 1.00 0.00 C ATOM 1255 C VAL A 89 26.402 18.402 7.026 1.00 0.00 C ATOM 1256 O VAL A 89 25.207 18.137 6.899 1.00 0.00 O ATOM 1257 CB VAL A 89 27.181 20.795 6.999 1.00 0.00 C ATOM 1258 CG1 VAL A 89 26.009 21.138 6.088 1.00 0.00 C ATOM 1259 CG2 VAL A 89 27.557 21.993 7.859 1.00 0.00 C ATOM 0 H VAL A 89 28.892 19.613 8.372 1.00 0.00 H new ATOM 0 HA VAL A 89 26.055 19.852 8.574 1.00 0.00 H new ATOM 0 HB VAL A 89 28.030 20.536 6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 89 26.266 22.000 5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 89 25.787 20.287 5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.134 21.373 6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 89 27.782 22.845 7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 89 26.725 22.244 8.517 1.00 0.00 H new ATOM 0 HG23 VAL A 89 28.434 21.749 8.459 1.00 0.00 H new ATOM 1269 N LEU A 90 27.375 17.689 6.461 1.00 0.00 N ATOM 1270 CA LEU A 90 27.113 16.533 5.617 1.00 0.00 C ATOM 1271 C LEU A 90 26.260 15.504 6.361 1.00 0.00 C ATOM 1272 O LEU A 90 25.220 15.071 5.859 1.00 0.00 O ATOM 1273 CB LEU A 90 28.453 15.919 5.191 1.00 0.00 C ATOM 1274 CG LEU A 90 28.447 15.081 3.910 1.00 0.00 C ATOM 1275 CD1 LEU A 90 27.637 13.802 4.086 1.00 0.00 C ATOM 1276 CD2 LEU A 90 27.927 15.903 2.738 1.00 0.00 C ATOM 0 H LEU A 90 28.366 17.900 6.578 1.00 0.00 H new ATOM 0 HA LEU A 90 26.557 16.845 4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 90 29.174 16.727 5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 90 28.815 15.293 6.006 1.00 0.00 H new ATOM 0 HG LEU A 90 29.474 14.788 3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 90 27.653 13.230 3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.070 13.204 4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 90 26.607 14.055 4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 90 27.930 15.292 1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 90 26.910 16.235 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 90 28.569 16.772 2.590 1.00 0.00 H new ATOM 1288 N ASN A 91 26.704 15.122 7.558 1.00 0.00 N ATOM 1289 CA ASN A 91 25.977 14.154 8.378 1.00 0.00 C ATOM 1290 C ASN A 91 24.559 14.635 8.642 1.00 0.00 C ATOM 1291 O ASN A 91 23.611 13.857 8.595 1.00 0.00 O ATOM 1292 CB ASN A 91 26.685 13.916 9.718 1.00 0.00 C ATOM 1293 CG ASN A 91 28.045 13.261 9.568 1.00 0.00 C ATOM 1294 OD1 ASN A 91 28.293 12.512 8.624 1.00 0.00 O ATOM 1295 ND2 ASN A 91 28.936 13.537 10.507 1.00 0.00 N ATOM 0 H ASN A 91 27.565 15.469 7.982 1.00 0.00 H new ATOM 0 HA ASN A 91 25.947 13.216 7.824 1.00 0.00 H new ATOM 0 HB2 ASN A 91 26.803 14.869 10.233 1.00 0.00 H new ATOM 0 HB3 ASN A 91 26.054 13.289 10.348 1.00 0.00 H new ATOM 0 HD21 ASN A 91 29.867 13.123 10.464 1.00 0.00 H new ATOM 0 HD22 ASN A 91 28.691 14.163 11.274 1.00 0.00 H new ATOM 1302 N THR A 92 24.429 15.929 8.902 1.00 0.00 N ATOM 1303 CA THR A 92 23.135 16.535 9.176 1.00 0.00 C ATOM 1304 C THR A 92 22.206 16.401 7.968 1.00 0.00 C ATOM 1305 O THR A 92 21.027 16.078 8.114 1.00 0.00 O ATOM 1306 CB THR A 92 23.308 18.020 9.562 1.00 0.00 C ATOM 1307 OG1 THR A 92 24.210 18.125 10.672 1.00 0.00 O ATOM 1308 CG2 THR A 92 21.981 18.658 9.940 1.00 0.00 C ATOM 0 H THR A 92 25.211 16.583 8.929 1.00 0.00 H new ATOM 0 HA THR A 92 22.681 16.008 10.015 1.00 0.00 H new ATOM 0 HB THR A 92 23.708 18.546 8.695 1.00 0.00 H new ATOM 0 HG1 THR A 92 25.128 17.974 10.363 1.00 0.00 H new ATOM 0 HG21 THR A 92 22.142 19.703 10.206 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.296 18.600 9.094 1.00 0.00 H new ATOM 0 HG23 THR A 92 21.552 18.129 10.791 1.00 0.00 H new ATOM 1316 N ILE A 93 22.755 16.621 6.774 1.00 0.00 N ATOM 1317 CA ILE A 93 21.998 16.462 5.534 1.00 0.00 C ATOM 1318 C ILE A 93 21.453 15.046 5.410 1.00 0.00 C ATOM 1319 O ILE A 93 20.268 14.847 5.158 1.00 0.00 O ATOM 1320 CB ILE A 93 22.856 16.792 4.292 1.00 0.00 C ATOM 1321 CG1 ILE A 93 23.369 18.234 4.358 1.00 0.00 C ATOM 1322 CG2 ILE A 93 22.059 16.570 3.009 1.00 0.00 C ATOM 1323 CD1 ILE A 93 22.269 19.277 4.401 1.00 0.00 C ATOM 0 H ILE A 93 23.724 16.911 6.640 1.00 0.00 H new ATOM 0 HA ILE A 93 21.168 17.167 5.577 1.00 0.00 H new ATOM 0 HB ILE A 93 23.714 16.119 4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 93 23.997 18.346 5.242 1.00 0.00 H new ATOM 0 HG13 ILE A 93 24.002 18.424 3.491 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.683 16.808 2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.744 15.528 2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 93 21.180 17.215 3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 93 22.712 20.272 4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 93 21.654 19.195 3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 93 21.649 19.115 5.283 1.00 0.00 H new ATOM 1335 N GLY A 94 22.320 14.063 5.607 1.00 0.00 N ATOM 1336 CA GLY A 94 21.908 12.676 5.494 1.00 0.00 C ATOM 1337 C GLY A 94 20.959 12.258 6.598 1.00 0.00 C ATOM 1338 O GLY A 94 20.029 11.482 6.375 1.00 0.00 O ATOM 0 H GLY A 94 23.303 14.200 5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 94 21.427 12.521 4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 94 22.790 12.036 5.517 1.00 0.00 H new ATOM 1342 N ALA A 95 21.188 12.788 7.784 1.00 0.00 N ATOM 1343 CA ALA A 95 20.383 12.458 8.949 1.00 0.00 C ATOM 1344 C ALA A 95 18.968 12.995 8.800 1.00 0.00 C ATOM 1345 O ALA A 95 17.997 12.281 9.042 1.00 0.00 O ATOM 1346 CB ALA A 95 21.025 13.018 10.210 1.00 0.00 C ATOM 0 H ALA A 95 21.935 13.458 7.969 1.00 0.00 H new ATOM 0 HA ALA A 95 20.331 11.372 9.030 1.00 0.00 H new ATOM 0 HB1 ALA A 95 20.412 12.763 11.074 1.00 0.00 H new ATOM 0 HB2 ALA A 95 22.020 12.590 10.332 1.00 0.00 H new ATOM 0 HB3 ALA A 95 21.104 14.102 10.128 1.00 0.00 H new ATOM 1352 N CYS A 96 18.858 14.243 8.375 1.00 0.00 N ATOM 1353 CA CYS A 96 17.563 14.892 8.242 1.00 0.00 C ATOM 1354 C CYS A 96 16.916 14.570 6.895 1.00 0.00 C ATOM 1355 O CYS A 96 15.889 15.146 6.539 1.00 0.00 O ATOM 1356 CB CYS A 96 17.716 16.403 8.391 1.00 0.00 C ATOM 1357 SG CYS A 96 18.539 16.931 9.933 1.00 0.00 S ATOM 0 H CYS A 96 19.652 14.829 8.115 1.00 0.00 H new ATOM 0 HA CYS A 96 16.916 14.512 9.032 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.284 16.784 7.542 1.00 0.00 H new ATOM 0 HB3 CYS A 96 16.728 16.862 8.345 1.00 0.00 H new ATOM 1362 N LEU A 97 17.529 13.668 6.137 1.00 0.00 N ATOM 1363 CA LEU A 97 16.959 13.234 4.866 1.00 0.00 C ATOM 1364 C LEU A 97 16.485 11.787 4.941 1.00 0.00 C ATOM 1365 O LEU A 97 15.650 11.358 4.149 1.00 0.00 O ATOM 1366 CB LEU A 97 17.964 13.395 3.732 1.00 0.00 C ATOM 1367 CG LEU A 97 17.523 14.363 2.634 1.00 0.00 C ATOM 1368 CD1 LEU A 97 18.653 14.593 1.659 1.00 0.00 C ATOM 1369 CD2 LEU A 97 16.293 13.830 1.908 1.00 0.00 C ATOM 0 H LEU A 97 18.416 13.225 6.378 1.00 0.00 H new ATOM 0 HA LEU A 97 16.098 13.870 4.661 1.00 0.00 H new ATOM 0 HB2 LEU A 97 18.910 13.742 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 97 18.150 12.418 3.286 1.00 0.00 H new ATOM 0 HG LEU A 97 17.260 15.314 3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 97 18.328 15.284 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 97 19.508 15.016 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 97 18.940 13.645 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 97 15.996 14.534 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 97 16.527 12.867 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 97 15.476 13.708 2.619 1.00 0.00 H new ATOM 1381 N ARG A 98 17.016 11.030 5.890 1.00 0.00 N ATOM 1382 CA ARG A 98 16.637 9.626 6.024 1.00 0.00 C ATOM 1383 C ARG A 98 15.301 9.474 6.749 1.00 0.00 C ATOM 1384 O ARG A 98 14.411 8.762 6.285 1.00 0.00 O ATOM 1385 CB ARG A 98 17.729 8.825 6.743 1.00 0.00 C ATOM 1386 CG ARG A 98 18.093 9.363 8.115 1.00 0.00 C ATOM 1387 CD ARG A 98 19.168 8.525 8.787 1.00 0.00 C ATOM 1388 NE ARG A 98 19.513 9.050 10.109 1.00 0.00 N ATOM 1389 CZ ARG A 98 20.444 8.525 10.905 1.00 0.00 C ATOM 1390 NH1 ARG A 98 21.121 7.446 10.529 1.00 0.00 N ATOM 1391 NH2 ARG A 98 20.692 9.088 12.082 1.00 0.00 N ATOM 0 H ARG A 98 17.702 11.356 6.571 1.00 0.00 H new ATOM 0 HA ARG A 98 16.522 9.225 5.017 1.00 0.00 H new ATOM 0 HB2 ARG A 98 17.398 7.792 6.846 1.00 0.00 H new ATOM 0 HB3 ARG A 98 18.624 8.812 6.121 1.00 0.00 H new ATOM 0 HG2 ARG A 98 18.441 10.392 8.021 1.00 0.00 H new ATOM 0 HG3 ARG A 98 17.203 9.384 8.744 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.821 7.496 8.883 1.00 0.00 H new ATOM 0 HD3 ARG A 98 20.059 8.504 8.159 1.00 0.00 H new ATOM 0 HE ARG A 98 19.008 9.871 10.443 1.00 0.00 H new ATOM 0 HH11 ARG A 98 20.930 7.013 9.625 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.832 7.050 11.144 1.00 0.00 H new ATOM 0 HH21 ARG A 98 20.171 9.916 12.371 1.00 0.00 H new ATOM 0 HH22 ARG A 98 21.403 8.692 12.697 1.00 0.00 H new ATOM 1405 N GLU A 99 15.158 10.151 7.879 1.00 0.00 N ATOM 1406 CA GLU A 99 13.950 10.026 8.687 1.00 0.00 C ATOM 1407 C GLU A 99 12.776 10.764 8.052 1.00 0.00 C ATOM 1408 O GLU A 99 11.645 10.277 8.058 1.00 0.00 O ATOM 1409 CB GLU A 99 14.191 10.475 10.142 1.00 0.00 C ATOM 1410 CG GLU A 99 15.051 11.728 10.330 1.00 0.00 C ATOM 1411 CD GLU A 99 14.319 13.021 10.035 1.00 0.00 C ATOM 1412 OE1 GLU A 99 13.516 13.460 10.888 1.00 0.00 O ATOM 1413 OE2 GLU A 99 14.546 13.596 8.955 1.00 0.00 O ATOM 0 H GLU A 99 15.858 10.789 8.257 1.00 0.00 H new ATOM 0 HA GLU A 99 13.686 8.969 8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.223 10.651 10.611 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.662 9.653 10.681 1.00 0.00 H new ATOM 0 HG2 GLU A 99 15.418 11.755 11.356 1.00 0.00 H new ATOM 0 HG3 GLU A 99 15.924 11.659 9.681 1.00 0.00 H new ATOM 1420 N SER A 100 13.059 11.919 7.482 1.00 0.00 N ATOM 1421 CA SER A 100 12.055 12.712 6.789 1.00 0.00 C ATOM 1422 C SER A 100 11.388 11.915 5.667 1.00 0.00 C ATOM 1423 O SER A 100 10.204 12.101 5.383 1.00 0.00 O ATOM 1424 CB SER A 100 12.706 13.973 6.231 1.00 0.00 C ATOM 1425 OG SER A 100 13.897 13.659 5.537 1.00 0.00 O ATOM 0 H SER A 100 13.990 12.336 7.485 1.00 0.00 H new ATOM 0 HA SER A 100 11.277 12.985 7.501 1.00 0.00 H new ATOM 0 HB2 SER A 100 12.012 14.480 5.560 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.925 14.665 7.044 1.00 0.00 H new ATOM 0 HG SER A 100 14.667 14.005 6.035 1.00 0.00 H new ATOM 1431 N MET A 101 12.151 11.022 5.048 1.00 0.00 N ATOM 1432 CA MET A 101 11.636 10.171 3.984 1.00 0.00 C ATOM 1433 C MET A 101 10.522 9.258 4.487 1.00 0.00 C ATOM 1434 O MET A 101 9.467 9.149 3.858 1.00 0.00 O ATOM 1435 CB MET A 101 12.761 9.338 3.370 1.00 0.00 C ATOM 1436 CG MET A 101 13.519 10.055 2.268 1.00 0.00 C ATOM 1437 SD MET A 101 12.516 10.313 0.788 1.00 0.00 S ATOM 1438 CE MET A 101 12.237 8.622 0.267 1.00 0.00 C ATOM 0 H MET A 101 13.135 10.869 5.267 1.00 0.00 H new ATOM 0 HA MET A 101 11.217 10.822 3.217 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.461 9.054 4.156 1.00 0.00 H new ATOM 0 HB3 MET A 101 12.341 8.416 2.969 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.867 11.019 2.639 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.405 9.476 2.006 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.412 8.538 -0.806 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.920 7.960 0.799 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.209 8.337 0.490 1.00 0.00 H new ATOM 1448 N MET A 102 10.740 8.610 5.630 1.00 0.00 N ATOM 1449 CA MET A 102 9.727 7.716 6.177 1.00 0.00 C ATOM 1450 C MET A 102 8.598 8.505 6.824 1.00 0.00 C ATOM 1451 O MET A 102 7.447 8.068 6.815 1.00 0.00 O ATOM 1452 CB MET A 102 10.308 6.705 7.170 1.00 0.00 C ATOM 1453 CG MET A 102 11.042 7.313 8.350 1.00 0.00 C ATOM 1454 SD MET A 102 11.179 6.158 9.730 1.00 0.00 S ATOM 1455 CE MET A 102 11.674 4.668 8.870 1.00 0.00 C ATOM 0 H MET A 102 11.593 8.686 6.185 1.00 0.00 H new ATOM 0 HA MET A 102 9.327 7.148 5.337 1.00 0.00 H new ATOM 0 HB2 MET A 102 9.497 6.083 7.548 1.00 0.00 H new ATOM 0 HB3 MET A 102 10.993 6.046 6.636 1.00 0.00 H new ATOM 0 HG2 MET A 102 12.039 7.623 8.036 1.00 0.00 H new ATOM 0 HG3 MET A 102 10.518 8.211 8.679 1.00 0.00 H new ATOM 0 HE1 MET A 102 11.628 3.821 9.554 1.00 0.00 H new ATOM 0 HE2 MET A 102 11.002 4.493 8.030 1.00 0.00 H new ATOM 0 HE3 MET A 102 12.693 4.782 8.502 1.00 0.00 H new ATOM 1465 N GLN A 103 8.925 9.675 7.367 1.00 0.00 N ATOM 1466 CA GLN A 103 7.911 10.564 7.923 1.00 0.00 C ATOM 1467 C GLN A 103 7.058 11.167 6.813 1.00 0.00 C ATOM 1468 O GLN A 103 6.010 11.758 7.069 1.00 0.00 O ATOM 1469 CB GLN A 103 8.547 11.676 8.765 1.00 0.00 C ATOM 1470 CG GLN A 103 8.635 11.354 10.251 1.00 0.00 C ATOM 1471 CD GLN A 103 9.604 10.232 10.573 1.00 0.00 C ATOM 1472 OE1 GLN A 103 10.778 10.472 10.848 1.00 0.00 O ATOM 1473 NE2 GLN A 103 9.118 9.003 10.562 1.00 0.00 N ATOM 0 H GLN A 103 9.880 10.028 7.433 1.00 0.00 H new ATOM 0 HA GLN A 103 7.271 9.969 8.574 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.550 11.876 8.387 1.00 0.00 H new ATOM 0 HB3 GLN A 103 7.969 12.591 8.636 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.938 12.251 10.791 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.644 11.083 10.615 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.138 8.844 10.329 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.723 8.213 10.787 1.00 0.00 H new ATOM 1482 N ALA A 104 7.521 11.032 5.578 1.00 0.00 N ATOM 1483 CA ALA A 104 6.739 11.448 4.428 1.00 0.00 C ATOM 1484 C ALA A 104 5.768 10.345 4.031 1.00 0.00 C ATOM 1485 O ALA A 104 4.553 10.523 4.121 1.00 0.00 O ATOM 1486 CB ALA A 104 7.644 11.818 3.264 1.00 0.00 C ATOM 0 H ALA A 104 8.434 10.638 5.350 1.00 0.00 H new ATOM 0 HA ALA A 104 6.166 12.335 4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.036 12.126 2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.298 12.638 3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.248 10.955 2.984 1.00 0.00 H new ATOM 1492 N THR A 105 6.307 9.200 3.607 1.00 0.00 N ATOM 1493 CA THR A 105 5.480 8.051 3.248 1.00 0.00 C ATOM 1494 C THR A 105 6.328 6.857 2.795 1.00 0.00 C ATOM 1495 O THR A 105 6.181 5.753 3.322 1.00 0.00 O ATOM 1496 CB THR A 105 4.443 8.400 2.143 1.00 0.00 C ATOM 1497 OG1 THR A 105 3.737 7.223 1.734 1.00 0.00 O ATOM 1498 CG2 THR A 105 5.107 9.034 0.927 1.00 0.00 C ATOM 0 H THR A 105 7.310 9.046 3.505 1.00 0.00 H new ATOM 0 HA THR A 105 4.941 7.774 4.154 1.00 0.00 H new ATOM 0 HB THR A 105 3.746 9.121 2.570 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.086 7.457 1.039 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.350 9.263 0.177 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.612 9.953 1.226 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.835 8.340 0.507 1.00 0.00 H new ATOM 1506 N GLY A 106 7.255 7.096 1.873 1.00 0.00 N ATOM 1507 CA GLY A 106 7.918 6.005 1.176 1.00 0.00 C ATOM 1508 C GLY A 106 9.086 5.396 1.931 1.00 0.00 C ATOM 1509 O GLY A 106 10.058 4.964 1.308 1.00 0.00 O ATOM 0 H GLY A 106 7.561 8.028 1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.187 5.223 0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.274 6.369 0.212 1.00 0.00 H new ATOM 1513 N SER A 107 8.988 5.348 3.262 1.00 0.00 N ATOM 1514 CA SER A 107 10.025 4.764 4.102 1.00 0.00 C ATOM 1515 C SER A 107 11.389 5.401 3.826 1.00 0.00 C ATOM 1516 O SER A 107 11.477 6.479 3.236 1.00 0.00 O ATOM 1517 CB SER A 107 10.077 3.254 3.863 1.00 0.00 C ATOM 1518 OG SER A 107 8.804 2.662 4.065 1.00 0.00 O ATOM 0 H SER A 107 8.189 5.712 3.781 1.00 0.00 H new ATOM 0 HA SER A 107 9.781 4.958 5.146 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.417 3.055 2.847 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.804 2.801 4.537 1.00 0.00 H new ATOM 0 HG SER A 107 8.863 1.697 3.905 1.00 0.00 H new ATOM 1524 N VAL A 108 12.448 4.754 4.281 1.00 0.00 N ATOM 1525 CA VAL A 108 13.792 5.186 3.953 1.00 0.00 C ATOM 1526 C VAL A 108 14.275 4.397 2.746 1.00 0.00 C ATOM 1527 O VAL A 108 14.818 3.302 2.886 1.00 0.00 O ATOM 1528 CB VAL A 108 14.766 4.991 5.134 1.00 0.00 C ATOM 1529 CG1 VAL A 108 16.131 5.586 4.814 1.00 0.00 C ATOM 1530 CG2 VAL A 108 14.192 5.602 6.401 1.00 0.00 C ATOM 0 H VAL A 108 12.401 3.928 4.878 1.00 0.00 H new ATOM 0 HA VAL A 108 13.768 6.253 3.729 1.00 0.00 H new ATOM 0 HB VAL A 108 14.897 3.922 5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 108 16.801 5.437 5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 108 16.545 5.095 3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 108 16.026 6.653 4.618 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.891 5.456 7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.029 6.669 6.249 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.244 5.120 6.640 1.00 0.00 H new ATOM 1540 N ASP A 109 14.010 4.935 1.564 1.00 0.00 N ATOM 1541 CA ASP A 109 14.311 4.239 0.318 1.00 0.00 C ATOM 1542 C ASP A 109 15.807 3.994 0.174 1.00 0.00 C ATOM 1543 O ASP A 109 16.620 4.900 0.374 1.00 0.00 O ATOM 1544 CB ASP A 109 13.788 5.026 -0.882 1.00 0.00 C ATOM 1545 CG ASP A 109 13.965 4.263 -2.175 1.00 0.00 C ATOM 1546 OD1 ASP A 109 13.090 3.435 -2.501 1.00 0.00 O ATOM 1547 OD2 ASP A 109 14.988 4.473 -2.859 1.00 0.00 O ATOM 0 H ASP A 109 13.586 5.854 1.440 1.00 0.00 H new ATOM 0 HA ASP A 109 13.807 3.273 0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.732 5.253 -0.736 1.00 0.00 H new ATOM 0 HB3 ASP A 109 14.312 5.979 -0.948 1.00 0.00 H new ATOM 1552 N ASN A 110 16.152 2.770 -0.198 1.00 0.00 N ATOM 1553 CA ASN A 110 17.541 2.318 -0.219 1.00 0.00 C ATOM 1554 C ASN A 110 18.317 2.913 -1.387 1.00 0.00 C ATOM 1555 O ASN A 110 19.546 2.966 -1.354 1.00 0.00 O ATOM 1556 CB ASN A 110 17.601 0.790 -0.297 1.00 0.00 C ATOM 1557 CG ASN A 110 16.897 0.113 0.862 1.00 0.00 C ATOM 1558 OD1 ASN A 110 17.498 -0.148 1.906 1.00 0.00 O ATOM 1559 ND2 ASN A 110 15.620 -0.184 0.682 1.00 0.00 N ATOM 0 H ASN A 110 15.481 2.061 -0.494 1.00 0.00 H new ATOM 0 HA ASN A 110 18.004 2.661 0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 110 17.149 0.461 -1.233 1.00 0.00 H new ATOM 0 HB3 ASN A 110 18.644 0.473 -0.318 1.00 0.00 H new ATOM 0 HD21 ASN A 110 15.095 -0.647 1.424 1.00 0.00 H new ATOM 0 HD22 ASN A 110 15.161 0.050 -0.198 1.00 0.00 H new ATOM 1566 N ALA A 111 17.608 3.353 -2.416 1.00 0.00 N ATOM 1567 CA ALA A 111 18.253 3.903 -3.599 1.00 0.00 C ATOM 1568 C ALA A 111 18.275 5.423 -3.545 1.00 0.00 C ATOM 1569 O ALA A 111 19.310 6.038 -3.780 1.00 0.00 O ATOM 1570 CB ALA A 111 17.543 3.429 -4.860 1.00 0.00 C ATOM 0 H ALA A 111 16.589 3.340 -2.456 1.00 0.00 H new ATOM 0 HA ALA A 111 19.283 3.546 -3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 111 18.038 3.849 -5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 111 17.579 2.341 -4.910 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.504 3.757 -4.838 1.00 0.00 H new ATOM 1576 N PHE A 112 17.130 6.013 -3.215 1.00 0.00 N ATOM 1577 CA PHE A 112 16.985 7.464 -3.179 1.00 0.00 C ATOM 1578 C PHE A 112 18.014 8.101 -2.251 1.00 0.00 C ATOM 1579 O PHE A 112 18.853 8.880 -2.696 1.00 0.00 O ATOM 1580 CB PHE A 112 15.568 7.845 -2.737 1.00 0.00 C ATOM 1581 CG PHE A 112 15.300 9.326 -2.750 1.00 0.00 C ATOM 1582 CD1 PHE A 112 14.954 9.972 -3.926 1.00 0.00 C ATOM 1583 CD2 PHE A 112 15.395 10.072 -1.585 1.00 0.00 C ATOM 1584 CE1 PHE A 112 14.702 11.330 -3.941 1.00 0.00 C ATOM 1585 CE2 PHE A 112 15.145 11.432 -1.593 1.00 0.00 C ATOM 1586 CZ PHE A 112 14.801 12.062 -2.774 1.00 0.00 C ATOM 0 H PHE A 112 16.282 5.503 -2.967 1.00 0.00 H new ATOM 0 HA PHE A 112 17.159 7.843 -4.186 1.00 0.00 H new ATOM 0 HB2 PHE A 112 14.849 7.350 -3.390 1.00 0.00 H new ATOM 0 HB3 PHE A 112 15.398 7.464 -1.730 1.00 0.00 H new ATOM 0 HD1 PHE A 112 14.880 9.406 -4.843 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.668 9.585 -0.660 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.428 11.819 -4.864 1.00 0.00 H new ATOM 0 HE2 PHE A 112 15.218 12.001 -0.678 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.610 13.125 -2.784 1.00 0.00 H new ATOM 1596 N THR A 113 17.959 7.753 -0.966 1.00 0.00 N ATOM 1597 CA THR A 113 18.869 8.332 0.021 1.00 0.00 C ATOM 1598 C THR A 113 20.323 8.058 -0.354 1.00 0.00 C ATOM 1599 O THR A 113 21.192 8.913 -0.194 1.00 0.00 O ATOM 1600 CB THR A 113 18.595 7.775 1.435 1.00 0.00 C ATOM 1601 OG1 THR A 113 18.624 6.341 1.411 1.00 0.00 O ATOM 1602 CG2 THR A 113 17.252 8.253 1.966 1.00 0.00 C ATOM 0 H THR A 113 17.297 7.076 -0.585 1.00 0.00 H new ATOM 0 HA THR A 113 18.694 9.408 0.027 1.00 0.00 H new ATOM 0 HB THR A 113 19.376 8.145 2.100 1.00 0.00 H new ATOM 0 HG1 THR A 113 17.732 5.999 1.191 1.00 0.00 H new ATOM 0 HG21 THR A 113 17.088 7.844 2.963 1.00 0.00 H new ATOM 0 HG22 THR A 113 17.247 9.342 2.015 1.00 0.00 H new ATOM 0 HG23 THR A 113 16.457 7.916 1.301 1.00 0.00 H new ATOM 1610 N ASN A 114 20.558 6.865 -0.878 1.00 0.00 N ATOM 1611 CA ASN A 114 21.889 6.418 -1.275 1.00 0.00 C ATOM 1612 C ASN A 114 22.436 7.245 -2.440 1.00 0.00 C ATOM 1613 O ASN A 114 23.560 7.749 -2.381 1.00 0.00 O ATOM 1614 CB ASN A 114 21.811 4.937 -1.656 1.00 0.00 C ATOM 1615 CG ASN A 114 23.103 4.376 -2.214 1.00 0.00 C ATOM 1616 OD1 ASN A 114 23.967 3.918 -1.468 1.00 0.00 O ATOM 1617 ND2 ASN A 114 23.222 4.371 -3.533 1.00 0.00 N ATOM 0 H ASN A 114 19.827 6.173 -1.042 1.00 0.00 H new ATOM 0 HA ASN A 114 22.575 6.554 -0.439 1.00 0.00 H new ATOM 0 HB2 ASN A 114 21.527 4.360 -0.776 1.00 0.00 H new ATOM 0 HB3 ASN A 114 21.020 4.803 -2.394 1.00 0.00 H new ATOM 0 HD21 ASN A 114 24.056 3.976 -3.968 1.00 0.00 H new ATOM 0 HD22 ASN A 114 22.480 4.762 -4.113 1.00 0.00 H new ATOM 1624 N GLU A 115 21.638 7.386 -3.492 1.00 0.00 N ATOM 1625 CA GLU A 115 22.031 8.119 -4.661 1.00 0.00 C ATOM 1626 C GLU A 115 22.171 9.605 -4.346 1.00 0.00 C ATOM 1627 O GLU A 115 23.143 10.245 -4.756 1.00 0.00 O ATOM 1628 CB GLU A 115 20.997 7.873 -5.754 1.00 0.00 C ATOM 1629 CG GLU A 115 21.246 8.692 -6.985 1.00 0.00 C ATOM 1630 CD GLU A 115 20.436 8.238 -8.181 1.00 0.00 C ATOM 1631 OE1 GLU A 115 19.206 8.431 -8.183 1.00 0.00 O ATOM 1632 OE2 GLU A 115 21.034 7.688 -9.132 1.00 0.00 O ATOM 0 H GLU A 115 20.700 6.989 -3.546 1.00 0.00 H new ATOM 0 HA GLU A 115 23.007 7.777 -5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.001 6.816 -6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 115 20.004 8.101 -5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 115 21.013 9.735 -6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 115 22.306 8.647 -7.235 1.00 0.00 H new ATOM 1639 N VAL A 116 21.213 10.143 -3.596 1.00 0.00 N ATOM 1640 CA VAL A 116 21.277 11.530 -3.160 1.00 0.00 C ATOM 1641 C VAL A 116 22.540 11.768 -2.338 1.00 0.00 C ATOM 1642 O VAL A 116 23.279 12.708 -2.604 1.00 0.00 O ATOM 1643 CB VAL A 116 20.025 11.937 -2.346 1.00 0.00 C ATOM 1644 CG1 VAL A 116 20.190 13.325 -1.744 1.00 0.00 C ATOM 1645 CG2 VAL A 116 18.785 11.894 -3.229 1.00 0.00 C ATOM 0 H VAL A 116 20.385 9.638 -3.279 1.00 0.00 H new ATOM 0 HA VAL A 116 21.306 12.154 -4.053 1.00 0.00 H new ATOM 0 HB VAL A 116 19.907 11.224 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 116 19.296 13.585 -1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 116 21.055 13.333 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 116 20.338 14.052 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 116 17.912 12.182 -2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 116 18.908 12.585 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL A 116 18.647 10.883 -3.613 1.00 0.00 H new ATOM 1655 N MET A 117 22.803 10.894 -1.367 1.00 0.00 N ATOM 1656 CA MET A 117 24.013 10.994 -0.547 1.00 0.00 C ATOM 1657 C MET A 117 25.266 11.048 -1.414 1.00 0.00 C ATOM 1658 O MET A 117 26.107 11.926 -1.232 1.00 0.00 O ATOM 1659 CB MET A 117 24.101 9.827 0.437 1.00 0.00 C ATOM 1660 CG MET A 117 23.555 10.137 1.830 1.00 0.00 C ATOM 1661 SD MET A 117 24.647 11.190 2.819 1.00 0.00 S ATOM 1662 CE MET A 117 24.098 12.844 2.386 1.00 0.00 C ATOM 0 H MET A 117 22.196 10.110 -1.128 1.00 0.00 H new ATOM 0 HA MET A 117 23.951 11.923 0.019 1.00 0.00 H new ATOM 0 HB2 MET A 117 23.554 8.978 0.026 1.00 0.00 H new ATOM 0 HB3 MET A 117 25.143 9.521 0.528 1.00 0.00 H new ATOM 0 HG2 MET A 117 22.586 10.625 1.731 1.00 0.00 H new ATOM 0 HG3 MET A 117 23.387 9.201 2.362 1.00 0.00 H new ATOM 0 HE1 MET A 117 24.092 13.471 3.278 1.00 0.00 H new ATOM 0 HE2 MET A 117 24.776 13.271 1.647 1.00 0.00 H new ATOM 0 HE3 MET A 117 23.092 12.796 1.970 1.00 0.00 H new ATOM 1672 N GLN A 118 25.378 10.124 -2.361 1.00 0.00 N ATOM 1673 CA GLN A 118 26.513 10.108 -3.277 1.00 0.00 C ATOM 1674 C GLN A 118 26.621 11.435 -4.024 1.00 0.00 C ATOM 1675 O GLN A 118 27.687 12.051 -4.069 1.00 0.00 O ATOM 1676 CB GLN A 118 26.376 8.961 -4.281 1.00 0.00 C ATOM 1677 CG GLN A 118 27.458 8.965 -5.350 1.00 0.00 C ATOM 1678 CD GLN A 118 27.258 7.892 -6.401 1.00 0.00 C ATOM 1679 OE1 GLN A 118 26.133 7.485 -6.690 1.00 0.00 O ATOM 1680 NE2 GLN A 118 28.350 7.439 -6.990 1.00 0.00 N ATOM 0 H GLN A 118 24.699 9.378 -2.515 1.00 0.00 H new ATOM 0 HA GLN A 118 27.419 9.959 -2.689 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.408 8.012 -3.745 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.400 9.023 -4.762 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.478 9.941 -5.835 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.429 8.825 -4.876 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.264 7.804 -6.720 1.00 0.00 H new ATOM 0 HE22 GLN A 118 28.280 6.725 -7.715 1.00 0.00 H new ATOM 1689 N LEU A 119 25.508 11.870 -4.596 1.00 0.00 N ATOM 1690 CA LEU A 119 25.471 13.099 -5.374 1.00 0.00 C ATOM 1691 C LEU A 119 25.795 14.321 -4.523 1.00 0.00 C ATOM 1692 O LEU A 119 26.629 15.131 -4.908 1.00 0.00 O ATOM 1693 CB LEU A 119 24.105 13.261 -6.038 1.00 0.00 C ATOM 1694 CG LEU A 119 23.877 12.373 -7.261 1.00 0.00 C ATOM 1695 CD1 LEU A 119 22.388 12.204 -7.524 1.00 0.00 C ATOM 1696 CD2 LEU A 119 24.558 12.968 -8.482 1.00 0.00 C ATOM 0 H LEU A 119 24.612 11.386 -4.535 1.00 0.00 H new ATOM 0 HA LEU A 119 26.239 13.025 -6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 119 23.331 13.046 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 119 23.982 14.303 -6.335 1.00 0.00 H new ATOM 0 HG LEU A 119 24.311 11.393 -7.060 1.00 0.00 H new ATOM 0 HD11 LEU A 119 22.243 11.569 -8.398 1.00 0.00 H new ATOM 0 HD12 LEU A 119 21.916 11.742 -6.657 1.00 0.00 H new ATOM 0 HD13 LEU A 119 21.938 13.180 -7.705 1.00 0.00 H new ATOM 0 HD21 LEU A 119 24.386 12.324 -9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 119 24.148 13.958 -8.681 1.00 0.00 H new ATOM 0 HD23 LEU A 119 25.629 13.049 -8.298 1.00 0.00 H new ATOM 1708 N VAL A 120 25.149 14.447 -3.368 1.00 0.00 N ATOM 1709 CA VAL A 120 25.386 15.583 -2.481 1.00 0.00 C ATOM 1710 C VAL A 120 26.862 15.692 -2.131 1.00 0.00 C ATOM 1711 O VAL A 120 27.487 16.720 -2.367 1.00 0.00 O ATOM 1712 CB VAL A 120 24.567 15.481 -1.174 1.00 0.00 C ATOM 1713 CG1 VAL A 120 24.894 16.636 -0.237 1.00 0.00 C ATOM 1714 CG2 VAL A 120 23.078 15.456 -1.475 1.00 0.00 C ATOM 0 H VAL A 120 24.459 13.779 -3.024 1.00 0.00 H new ATOM 0 HA VAL A 120 25.065 16.474 -3.021 1.00 0.00 H new ATOM 0 HB VAL A 120 24.839 14.548 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 120 24.305 16.542 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 120 25.955 16.614 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 120 24.656 17.580 -0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 120 22.519 15.384 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 120 22.797 16.371 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 120 22.848 14.595 -2.103 1.00 0.00 H new ATOM 1724 N LYS A 121 27.416 14.614 -1.602 1.00 0.00 N ATOM 1725 CA LYS A 121 28.813 14.589 -1.179 1.00 0.00 C ATOM 1726 C LYS A 121 29.749 14.937 -2.332 1.00 0.00 C ATOM 1727 O LYS A 121 30.758 15.619 -2.151 1.00 0.00 O ATOM 1728 CB LYS A 121 29.155 13.208 -0.632 1.00 0.00 C ATOM 1729 CG LYS A 121 28.333 12.837 0.591 1.00 0.00 C ATOM 1730 CD LYS A 121 28.508 11.384 0.992 1.00 0.00 C ATOM 1731 CE LYS A 121 29.878 11.133 1.603 1.00 0.00 C ATOM 1732 NZ LYS A 121 30.038 9.726 2.051 1.00 0.00 N ATOM 0 H LYS A 121 26.918 13.736 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 121 28.948 15.339 -0.400 1.00 0.00 H new ATOM 0 HB2 LYS A 121 28.994 12.464 -1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 121 30.214 13.176 -0.375 1.00 0.00 H new ATOM 0 HG2 LYS A 121 28.620 13.477 1.425 1.00 0.00 H new ATOM 0 HG3 LYS A 121 27.280 13.030 0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 121 27.734 11.108 1.708 1.00 0.00 H new ATOM 0 HD3 LYS A 121 28.376 10.746 0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 121 30.650 11.371 0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 121 30.025 11.802 2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 30.985 9.598 2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 29.318 9.506 2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 29.923 9.088 1.238 1.00 0.00 H new ATOM 1746 N MET A 122 29.400 14.464 -3.512 1.00 0.00 N ATOM 1747 CA MET A 122 30.207 14.675 -4.704 1.00 0.00 C ATOM 1748 C MET A 122 30.055 16.091 -5.252 1.00 0.00 C ATOM 1749 O MET A 122 31.046 16.755 -5.549 1.00 0.00 O ATOM 1750 CB MET A 122 29.818 13.635 -5.762 1.00 0.00 C ATOM 1751 CG MET A 122 30.495 13.812 -7.109 1.00 0.00 C ATOM 1752 SD MET A 122 30.046 12.505 -8.275 1.00 0.00 S ATOM 1753 CE MET A 122 28.254 12.636 -8.283 1.00 0.00 C ATOM 0 H MET A 122 28.551 13.923 -3.675 1.00 0.00 H new ATOM 0 HA MET A 122 31.257 14.554 -4.438 1.00 0.00 H new ATOM 0 HB2 MET A 122 30.056 12.642 -5.380 1.00 0.00 H new ATOM 0 HB3 MET A 122 28.738 13.671 -5.907 1.00 0.00 H new ATOM 0 HG2 MET A 122 30.220 14.780 -7.528 1.00 0.00 H new ATOM 0 HG3 MET A 122 31.576 13.819 -6.972 1.00 0.00 H new ATOM 0 HE1 MET A 122 27.870 12.313 -9.251 1.00 0.00 H new ATOM 0 HE2 MET A 122 27.839 12.003 -7.498 1.00 0.00 H new ATOM 0 HE3 MET A 122 27.964 13.672 -8.105 1.00 0.00 H new ATOM 1763 N LEU A 123 28.822 16.559 -5.353 1.00 0.00 N ATOM 1764 CA LEU A 123 28.544 17.867 -5.937 1.00 0.00 C ATOM 1765 C LEU A 123 28.908 18.994 -4.975 1.00 0.00 C ATOM 1766 O LEU A 123 28.889 20.166 -5.351 1.00 0.00 O ATOM 1767 CB LEU A 123 27.066 17.980 -6.322 1.00 0.00 C ATOM 1768 CG LEU A 123 26.574 16.958 -7.350 1.00 0.00 C ATOM 1769 CD1 LEU A 123 25.067 17.061 -7.524 1.00 0.00 C ATOM 1770 CD2 LEU A 123 27.276 17.155 -8.686 1.00 0.00 C ATOM 0 H LEU A 123 27.994 16.054 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 123 29.159 17.963 -6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 123 26.464 17.880 -5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 123 26.886 18.981 -6.715 1.00 0.00 H new ATOM 0 HG LEU A 123 26.814 15.961 -6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 123 24.735 16.327 -8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.577 16.868 -6.570 1.00 0.00 H new ATOM 0 HD13 LEU A 123 24.808 18.062 -7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 123 26.911 16.418 -9.401 1.00 0.00 H new ATOM 0 HD22 LEU A 123 27.070 18.158 -9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 123 28.351 17.031 -8.554 1.00 0.00 H new ATOM 1782 N SER A 124 29.248 18.650 -3.739 1.00 0.00 N ATOM 1783 CA SER A 124 29.540 19.672 -2.738 1.00 0.00 C ATOM 1784 C SER A 124 31.043 19.821 -2.528 1.00 0.00 C ATOM 1785 O SER A 124 31.494 20.700 -1.793 1.00 0.00 O ATOM 1786 CB SER A 124 28.852 19.356 -1.407 1.00 0.00 C ATOM 1787 OG SER A 124 27.461 19.178 -1.575 1.00 0.00 O ATOM 0 H SER A 124 29.328 17.689 -3.408 1.00 0.00 H new ATOM 0 HA SER A 124 29.147 20.617 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 124 29.286 18.454 -0.976 1.00 0.00 H new ATOM 0 HB3 SER A 124 29.034 20.166 -0.700 1.00 0.00 H new ATOM 0 HG SER A 124 27.267 18.227 -1.714 1.00 0.00 H new ATOM 1793 N ALA A 125 31.823 18.961 -3.165 1.00 0.00 N ATOM 1794 CA ALA A 125 33.268 19.056 -3.069 1.00 0.00 C ATOM 1795 C ALA A 125 33.825 19.776 -4.278 1.00 0.00 C ATOM 1796 O ALA A 125 34.157 19.167 -5.294 1.00 0.00 O ATOM 1797 CB ALA A 125 33.912 17.697 -2.921 1.00 0.00 C ATOM 0 H ALA A 125 31.482 18.197 -3.748 1.00 0.00 H new ATOM 0 HA ALA A 125 33.504 19.628 -2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 125 34.994 17.812 -2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 125 33.541 17.215 -2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 125 33.667 17.082 -3.787 1.00 0.00 H new