USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=39 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 86 TYR OH : rot -175:sc= 0.627 USER MOD Set 1.2: A 124 SER OG : rot -80:sc= 1.8 USER MOD Set 2.1: A 67 ASN : amide:sc= -0.0571 K(o=-0.024,f=-6.5!) USER MOD Set 2.2: A 68 THR OG1 : rot 35:sc= 0.0332 USER MOD Set 3.1: A 16 MET CE :methyl -133:sc= -3.08! (180deg=-5.72!) USER MOD Set 3.2: A 48 ASN :FLIP amide:sc= -0.161 F(o=-5.2!,f=-3.2) USER MOD Set 3.3: A 52 GLN :FLIP amide:sc= 0 F(o=-4.1,f=-3.2) USER MOD Set 4.1: A 46 SER OG : rot -170:sc= 1.79 USER MOD Set 4.2: A 50 GLN : amide:sc= -0.143 K(o=1.6,f=-4.4!) USER MOD Set 5.1: A 36 GLN : amide:sc= 1.25 K(o=1.7,f=-5.3!) USER MOD Set 5.2: A 81 SER OG : rot 86:sc= 0.439 USER MOD Single : A 10 THR OG1 : rot 180:sc=0.000563 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.699 F(o=-1.6,f=-0.7) USER MOD Single : A 13 ASN : amide:sc=-0.00635 X(o=-0.0063,f=0) USER MOD Single : A 17 THR OG1 : rot 56:sc= 1.18 USER MOD Single : A 18 MET CE :methyl -144:sc= 0 (180deg=-0.228) USER MOD Single : A 19 THR OG1 : rot 76:sc= 1.02 USER MOD Single : A 20 ASN : amide:sc= 0.0107 K(o=0.011,f=-1.1) USER MOD Single : A 21 ASN : amide:sc= -0.186 K(o=-0.19,f=-1.1) USER MOD Single : A 24 GLN : amide:sc= -0.093 K(o=-0.093,f=-0.67) USER MOD Single : A 27 SER OG : rot 180:sc= -0.197 USER MOD Single : A 29 SER OG : rot -88:sc= 1.56 USER MOD Single : A 33 THR OG1 : rot 132:sc= 1.85 USER MOD Single : A 37 MET CE :methyl -177:sc= -1.23 (180deg=-1.28) USER MOD Single : A 40 MET CE :methyl -146:sc= -0.193 (180deg=-1.43) USER MOD Single : A 42 MET CE :methyl 140:sc= -0.127 (180deg=-1.32) USER MOD Single : A 43 MET CE :methyl -155:sc= -0.338 (180deg=-1.26) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 153:sc= -1.97 (180deg=-2.6) USER MOD Single : A 53 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0473) USER MOD Single : A 54 MET CE :methyl 157:sc= -0.27 (180deg=-1.3) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.125 X(o=-0.13,f=-0.0024) USER MOD Single : A 66 MET CE :methyl -137:sc= -0.154 (180deg=-0.758) USER MOD Single : A 70 MET CE :methyl -164:sc= -0.0687 (180deg=-0.396) USER MOD Single : A 80 THR OG1 : rot 70:sc= 0.476 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0109 K(o=-0.011,f=-1.1) USER MOD Single : A 92 THR OG1 : rot 85:sc= 1.28 USER MOD Single : A 100 SER OG : rot 1:sc= 1.25 USER MOD Single : A 101 MET CE :methyl -152:sc= -0.216 (180deg=-1.1) USER MOD Single : A 102 MET CE :methyl 151:sc= -0.555 (180deg=-2.01!) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.139 F(o=-2!,f=-0.14) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -26:sc= 1.27 USER MOD Single : A 110 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.09) USER MOD Single : A 113 THR OG1 : rot -88:sc= 1.26 USER MOD Single : A 114 ASN : amide:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 117 MET CE :methyl 150:sc= -1.9! (180deg=-3.81!) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl -175:sc= -2.07 (180deg=-2.34) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 8 7.789 7.959 -4.446 1.00 0.00 N ATOM 82 CA ILE A 8 7.485 9.168 -3.632 1.00 0.00 C ATOM 83 C ILE A 8 7.178 10.455 -4.431 1.00 0.00 C ATOM 84 O ILE A 8 6.361 11.262 -3.992 1.00 0.00 O ATOM 85 CB ILE A 8 8.551 9.447 -2.525 1.00 0.00 C ATOM 86 CG1 ILE A 8 8.016 10.470 -1.516 1.00 0.00 C ATOM 87 CG2 ILE A 8 9.870 9.944 -3.100 1.00 0.00 C ATOM 88 CD1 ILE A 8 8.824 10.552 -0.241 1.00 0.00 C ATOM 0 HA ILE A 8 6.547 8.896 -3.148 1.00 0.00 H new ATOM 0 HB ILE A 8 8.743 8.497 -2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.996 11.453 -1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.986 10.215 -1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.576 10.123 -2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.278 9.193 -3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.702 10.872 -3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.383 11.297 0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.823 9.581 0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 8 9.849 10.838 -0.478 1.00 0.00 H new ATOM 100 N TRP A 9 7.784 10.647 -5.594 1.00 0.00 N ATOM 101 CA TRP A 9 7.512 11.837 -6.410 1.00 0.00 C ATOM 102 C TRP A 9 6.214 11.666 -7.195 1.00 0.00 C ATOM 103 O TRP A 9 5.940 12.402 -8.140 1.00 0.00 O ATOM 104 CB TRP A 9 8.662 12.108 -7.379 1.00 0.00 C ATOM 105 CG TRP A 9 9.968 12.380 -6.704 1.00 0.00 C ATOM 106 CD1 TRP A 9 10.909 11.459 -6.364 1.00 0.00 C ATOM 107 CD2 TRP A 9 10.476 13.651 -6.284 1.00 0.00 C ATOM 108 NE1 TRP A 9 11.977 12.075 -5.762 1.00 0.00 N ATOM 109 CE2 TRP A 9 11.735 13.422 -5.700 1.00 0.00 C ATOM 110 CE3 TRP A 9 9.992 14.961 -6.348 1.00 0.00 C ATOM 111 CZ2 TRP A 9 12.514 14.453 -5.182 1.00 0.00 C ATOM 112 CZ3 TRP A 9 10.764 15.984 -5.831 1.00 0.00 C ATOM 113 CH2 TRP A 9 12.015 15.725 -5.255 1.00 0.00 C ATOM 0 H TRP A 9 8.464 10.003 -5.998 1.00 0.00 H new ATOM 0 HA TRP A 9 7.412 12.686 -5.734 1.00 0.00 H new ATOM 0 HB2 TRP A 9 8.777 11.249 -8.041 1.00 0.00 H new ATOM 0 HB3 TRP A 9 8.403 12.961 -8.006 1.00 0.00 H new ATOM 0 HD1 TRP A 9 10.827 10.397 -6.542 1.00 0.00 H new ATOM 0 HE1 TRP A 9 12.815 11.606 -5.417 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.031 15.170 -6.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 13.479 14.256 -4.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.397 16.999 -5.872 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.597 16.545 -4.861 1.00 0.00 H new ATOM 124 N THR A 10 5.427 10.689 -6.785 1.00 0.00 N ATOM 125 CA THR A 10 4.168 10.379 -7.427 1.00 0.00 C ATOM 126 C THR A 10 3.123 11.453 -7.144 1.00 0.00 C ATOM 127 O THR A 10 2.263 11.739 -7.983 1.00 0.00 O ATOM 128 CB THR A 10 3.662 9.027 -6.917 1.00 0.00 C ATOM 129 OG1 THR A 10 4.758 8.107 -6.896 1.00 0.00 O ATOM 130 CG2 THR A 10 2.549 8.483 -7.798 1.00 0.00 C ATOM 0 H THR A 10 5.647 10.086 -5.992 1.00 0.00 H new ATOM 0 HA THR A 10 4.331 10.339 -8.504 1.00 0.00 H new ATOM 0 HB THR A 10 3.255 9.158 -5.914 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.448 7.237 -6.569 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.213 7.522 -7.408 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.714 9.184 -7.805 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.921 8.352 -8.814 1.00 0.00 H new ATOM 138 N ASN A 11 3.209 12.048 -5.964 1.00 0.00 N ATOM 139 CA ASN A 11 2.257 13.052 -5.544 1.00 0.00 C ATOM 140 C ASN A 11 2.977 14.186 -4.821 1.00 0.00 C ATOM 141 O ASN A 11 3.918 13.953 -4.058 1.00 0.00 O ATOM 142 CB ASN A 11 1.170 12.420 -4.663 1.00 0.00 C ATOM 143 CG ASN A 11 1.691 11.872 -3.348 1.00 0.00 C ATOM 144 OD1 ASN A 11 1.491 12.619 -2.274 1.00 0.00 O flip ATOM 145 ND2 ASN A 11 2.234 10.768 -3.290 1.00 0.00 N flip ATOM 0 H ASN A 11 3.937 11.847 -5.278 1.00 0.00 H new ATOM 0 HA ASN A 11 1.767 13.473 -6.422 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.403 13.166 -4.457 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.689 11.614 -5.217 1.00 0.00 H new ATOM 0 HD21 ASN A 11 2.371 10.222 -4.140 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.547 10.400 -2.392 1.00 0.00 H new ATOM 152 N PRO A 12 2.542 15.430 -5.072 1.00 0.00 N ATOM 153 CA PRO A 12 3.224 16.643 -4.601 1.00 0.00 C ATOM 154 C PRO A 12 3.480 16.661 -3.094 1.00 0.00 C ATOM 155 O PRO A 12 4.591 16.969 -2.652 1.00 0.00 O ATOM 156 CB PRO A 12 2.274 17.784 -4.994 1.00 0.00 C ATOM 157 CG PRO A 12 0.988 17.128 -5.374 1.00 0.00 C ATOM 158 CD PRO A 12 1.345 15.754 -5.858 1.00 0.00 C ATOM 0 HA PRO A 12 4.217 16.720 -5.045 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.130 18.476 -4.165 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.679 18.362 -5.825 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.311 17.076 -4.521 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.478 17.694 -6.153 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.540 15.041 -5.680 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.550 15.743 -6.929 1.00 0.00 H new ATOM 166 N ASN A 13 2.465 16.325 -2.307 1.00 0.00 N ATOM 167 CA ASN A 13 2.581 16.408 -0.853 1.00 0.00 C ATOM 168 C ASN A 13 3.655 15.458 -0.335 1.00 0.00 C ATOM 169 O ASN A 13 4.392 15.798 0.584 1.00 0.00 O ATOM 170 CB ASN A 13 1.240 16.109 -0.173 1.00 0.00 C ATOM 171 CG ASN A 13 1.321 16.200 1.342 1.00 0.00 C ATOM 172 OD1 ASN A 13 1.214 17.283 1.917 1.00 0.00 O ATOM 173 ND2 ASN A 13 1.490 15.063 2.000 1.00 0.00 N ATOM 0 H ASN A 13 1.561 15.996 -2.645 1.00 0.00 H new ATOM 0 HA ASN A 13 2.872 17.429 -0.606 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.488 16.810 -0.536 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.908 15.110 -0.456 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.535 15.065 3.019 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.575 14.185 1.488 1.00 0.00 H new ATOM 180 N ALA A 14 3.756 14.287 -0.949 1.00 0.00 N ATOM 181 CA ALA A 14 4.707 13.267 -0.517 1.00 0.00 C ATOM 182 C ALA A 14 6.133 13.794 -0.554 1.00 0.00 C ATOM 183 O ALA A 14 6.855 13.752 0.445 1.00 0.00 O ATOM 184 CB ALA A 14 4.590 12.040 -1.405 1.00 0.00 C ATOM 0 H ALA A 14 3.188 14.017 -1.752 1.00 0.00 H new ATOM 0 HA ALA A 14 4.469 12.997 0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.303 11.284 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.579 11.639 -1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.804 12.316 -2.437 1.00 0.00 H new ATOM 190 N ALA A 15 6.514 14.312 -1.705 1.00 0.00 N ATOM 191 CA ALA A 15 7.867 14.787 -1.925 1.00 0.00 C ATOM 192 C ALA A 15 8.138 16.050 -1.120 1.00 0.00 C ATOM 193 O ALA A 15 9.165 16.168 -0.455 1.00 0.00 O ATOM 194 CB ALA A 15 8.095 15.042 -3.403 1.00 0.00 C ATOM 0 H ALA A 15 5.898 14.416 -2.511 1.00 0.00 H new ATOM 0 HA ALA A 15 8.561 14.017 -1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.113 15.398 -3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.946 14.117 -3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.390 15.795 -3.755 1.00 0.00 H new ATOM 200 N MET A 16 7.195 16.980 -1.155 1.00 0.00 N ATOM 201 CA MET A 16 7.358 18.252 -0.467 1.00 0.00 C ATOM 202 C MET A 16 7.511 18.046 1.035 1.00 0.00 C ATOM 203 O MET A 16 8.256 18.769 1.695 1.00 0.00 O ATOM 204 CB MET A 16 6.174 19.171 -0.765 1.00 0.00 C ATOM 205 CG MET A 16 6.519 20.390 -1.614 1.00 0.00 C ATOM 206 SD MET A 16 7.577 21.592 -0.772 1.00 0.00 S ATOM 207 CE MET A 16 9.216 21.085 -1.300 1.00 0.00 C ATOM 0 H MET A 16 6.310 16.878 -1.652 1.00 0.00 H new ATOM 0 HA MET A 16 8.269 18.724 -0.835 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.402 18.595 -1.276 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.747 19.510 0.179 1.00 0.00 H new ATOM 0 HG2 MET A 16 7.017 20.057 -2.525 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.595 20.883 -1.917 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.879 21.042 -0.436 1.00 0.00 H new ATOM 0 HE2 MET A 16 9.160 20.100 -1.764 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.605 21.804 -2.021 1.00 0.00 H new ATOM 217 N THR A 17 6.822 17.041 1.563 1.00 0.00 N ATOM 218 CA THR A 17 6.911 16.713 2.978 1.00 0.00 C ATOM 219 C THR A 17 8.349 16.382 3.378 1.00 0.00 C ATOM 220 O THR A 17 8.901 17.001 4.287 1.00 0.00 O ATOM 221 CB THR A 17 5.981 15.535 3.335 1.00 0.00 C ATOM 222 OG1 THR A 17 4.615 15.924 3.141 1.00 0.00 O ATOM 223 CG2 THR A 17 6.177 15.081 4.779 1.00 0.00 C ATOM 0 H THR A 17 6.195 16.439 1.030 1.00 0.00 H new ATOM 0 HA THR A 17 6.589 17.592 3.536 1.00 0.00 H new ATOM 0 HB THR A 17 6.232 14.701 2.680 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.492 16.239 2.221 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.505 14.250 4.994 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.209 14.760 4.923 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.957 15.909 5.454 1.00 0.00 H new ATOM 231 N MET A 18 8.967 15.436 2.678 1.00 0.00 N ATOM 232 CA MET A 18 10.320 15.007 3.027 1.00 0.00 C ATOM 233 C MET A 18 11.337 16.111 2.748 1.00 0.00 C ATOM 234 O MET A 18 12.357 16.212 3.428 1.00 0.00 O ATOM 235 CB MET A 18 10.698 13.702 2.304 1.00 0.00 C ATOM 236 CG MET A 18 10.593 13.737 0.785 1.00 0.00 C ATOM 237 SD MET A 18 12.002 14.534 -0.009 1.00 0.00 S ATOM 238 CE MET A 18 11.608 14.250 -1.731 1.00 0.00 C ATOM 0 H MET A 18 8.560 14.956 1.875 1.00 0.00 H new ATOM 0 HA MET A 18 10.337 14.804 4.098 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.722 13.442 2.574 1.00 0.00 H new ATOM 0 HB3 MET A 18 10.057 12.903 2.676 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.503 12.717 0.410 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.681 14.262 0.503 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.526 14.069 -2.289 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.954 13.382 -1.816 1.00 0.00 H new ATOM 0 HE3 MET A 18 11.103 15.126 -2.138 1.00 0.00 H new ATOM 248 N THR A 19 11.037 16.954 1.772 1.00 0.00 N ATOM 249 CA THR A 19 11.900 18.070 1.435 1.00 0.00 C ATOM 250 C THR A 19 11.887 19.123 2.547 1.00 0.00 C ATOM 251 O THR A 19 12.938 19.594 2.988 1.00 0.00 O ATOM 252 CB THR A 19 11.442 18.709 0.113 1.00 0.00 C ATOM 253 OG1 THR A 19 11.459 17.731 -0.933 1.00 0.00 O ATOM 254 CG2 THR A 19 12.326 19.880 -0.273 1.00 0.00 C ATOM 0 H THR A 19 10.197 16.884 1.198 1.00 0.00 H new ATOM 0 HA THR A 19 12.917 17.694 1.323 1.00 0.00 H new ATOM 0 HB THR A 19 10.427 19.080 0.256 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.685 17.137 -0.839 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.974 20.308 -1.212 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.287 20.639 0.509 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.353 19.536 -0.394 1.00 0.00 H new ATOM 262 N ASN A 20 10.694 19.465 3.013 1.00 0.00 N ATOM 263 CA ASN A 20 10.533 20.492 4.031 1.00 0.00 C ATOM 264 C ASN A 20 10.994 20.006 5.396 1.00 0.00 C ATOM 265 O ASN A 20 11.500 20.793 6.202 1.00 0.00 O ATOM 266 CB ASN A 20 9.077 20.942 4.102 1.00 0.00 C ATOM 267 CG ASN A 20 8.695 21.836 2.939 1.00 0.00 C ATOM 268 OD1 ASN A 20 9.508 22.614 2.441 1.00 0.00 O ATOM 269 ND2 ASN A 20 7.457 21.724 2.492 1.00 0.00 N ATOM 0 H ASN A 20 9.820 19.043 2.700 1.00 0.00 H new ATOM 0 HA ASN A 20 11.159 21.338 3.748 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.428 20.066 4.113 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.909 21.475 5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.145 22.295 1.706 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.813 21.067 2.933 1.00 0.00 H new ATOM 276 N ASN A 21 10.829 18.713 5.658 1.00 0.00 N ATOM 277 CA ASN A 21 11.266 18.141 6.923 1.00 0.00 C ATOM 278 C ASN A 21 12.784 18.195 7.032 1.00 0.00 C ATOM 279 O ASN A 21 13.338 18.352 8.120 1.00 0.00 O ATOM 280 CB ASN A 21 10.778 16.699 7.079 1.00 0.00 C ATOM 281 CG ASN A 21 9.280 16.596 7.288 1.00 0.00 C ATOM 282 OD1 ASN A 21 8.639 17.522 7.789 1.00 0.00 O ATOM 283 ND2 ASN A 21 8.710 15.459 6.916 1.00 0.00 N ATOM 0 H ASN A 21 10.399 18.048 5.016 1.00 0.00 H new ATOM 0 HA ASN A 21 10.830 18.734 7.726 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.055 16.130 6.191 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.289 16.239 7.925 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.706 15.327 7.041 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.275 14.716 6.505 1.00 0.00 H new ATOM 290 N LEU A 22 13.454 18.091 5.888 1.00 0.00 N ATOM 291 CA LEU A 22 14.903 18.208 5.836 1.00 0.00 C ATOM 292 C LEU A 22 15.320 19.601 6.282 1.00 0.00 C ATOM 293 O LEU A 22 16.236 19.766 7.090 1.00 0.00 O ATOM 294 CB LEU A 22 15.413 17.950 4.417 1.00 0.00 C ATOM 295 CG LEU A 22 16.920 18.141 4.225 1.00 0.00 C ATOM 296 CD1 LEU A 22 17.696 17.053 4.951 1.00 0.00 C ATOM 297 CD2 LEU A 22 17.271 18.170 2.744 1.00 0.00 C ATOM 0 H LEU A 22 13.013 17.925 4.983 1.00 0.00 H new ATOM 0 HA LEU A 22 15.337 17.464 6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.152 16.930 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.888 18.615 3.732 1.00 0.00 H new ATOM 0 HG LEU A 22 17.204 19.100 4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.765 17.207 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.469 17.093 6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.411 16.078 4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 22 18.346 18.307 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.972 17.230 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.746 18.995 2.262 1.00 0.00 H new ATOM 309 N VAL A 23 14.624 20.599 5.754 1.00 0.00 N ATOM 310 CA VAL A 23 14.899 21.988 6.081 1.00 0.00 C ATOM 311 C VAL A 23 14.690 22.243 7.569 1.00 0.00 C ATOM 312 O VAL A 23 15.555 22.811 8.227 1.00 0.00 O ATOM 313 CB VAL A 23 14.018 22.957 5.258 1.00 0.00 C ATOM 314 CG1 VAL A 23 14.302 24.406 5.631 1.00 0.00 C ATOM 315 CG2 VAL A 23 14.240 22.738 3.771 1.00 0.00 C ATOM 0 H VAL A 23 13.859 20.468 5.092 1.00 0.00 H new ATOM 0 HA VAL A 23 15.942 22.177 5.826 1.00 0.00 H new ATOM 0 HB VAL A 23 12.974 22.748 5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.669 25.065 5.037 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.091 24.557 6.690 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.349 24.634 5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.613 23.427 3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.288 22.918 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.978 21.712 3.511 1.00 0.00 H new ATOM 325 N GLN A 24 13.561 21.788 8.107 1.00 0.00 N ATOM 326 CA GLN A 24 13.241 22.046 9.508 1.00 0.00 C ATOM 327 C GLN A 24 14.230 21.332 10.429 1.00 0.00 C ATOM 328 O GLN A 24 14.542 21.820 11.513 1.00 0.00 O ATOM 329 CB GLN A 24 11.806 21.616 9.840 1.00 0.00 C ATOM 330 CG GLN A 24 11.605 20.112 9.862 1.00 0.00 C ATOM 331 CD GLN A 24 10.190 19.711 10.229 1.00 0.00 C ATOM 332 OE1 GLN A 24 9.237 20.447 9.984 1.00 0.00 O ATOM 333 NE2 GLN A 24 10.045 18.530 10.810 1.00 0.00 N ATOM 0 H GLN A 24 12.861 21.246 7.602 1.00 0.00 H new ATOM 0 HA GLN A 24 13.321 23.121 9.672 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.531 22.024 10.813 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.127 22.053 9.107 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.850 19.703 8.882 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.300 19.668 10.575 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.863 17.949 10.996 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.116 18.201 11.072 1.00 0.00 H new ATOM 342 N CYS A 25 14.728 20.186 9.985 1.00 0.00 N ATOM 343 CA CYS A 25 15.664 19.403 10.776 1.00 0.00 C ATOM 344 C CYS A 25 17.055 20.037 10.756 1.00 0.00 C ATOM 345 O CYS A 25 17.684 20.214 11.800 1.00 0.00 O ATOM 346 CB CYS A 25 15.720 17.965 10.247 1.00 0.00 C ATOM 347 SG CYS A 25 16.804 16.849 11.203 1.00 0.00 S ATOM 0 H CYS A 25 14.498 19.778 9.079 1.00 0.00 H new ATOM 0 HA CYS A 25 15.317 19.386 11.809 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.711 17.554 10.241 1.00 0.00 H new ATOM 0 HB3 CYS A 25 16.062 17.985 9.212 1.00 0.00 H new ATOM 352 N ALA A 26 17.516 20.409 9.568 1.00 0.00 N ATOM 353 CA ALA A 26 18.866 20.933 9.405 1.00 0.00 C ATOM 354 C ALA A 26 18.969 22.394 9.836 1.00 0.00 C ATOM 355 O ALA A 26 19.982 22.810 10.393 1.00 0.00 O ATOM 356 CB ALA A 26 19.316 20.763 7.964 1.00 0.00 C ATOM 0 H ALA A 26 16.976 20.358 8.704 1.00 0.00 H new ATOM 0 HA ALA A 26 19.528 20.362 10.057 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.326 21.157 7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.307 19.705 7.703 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.638 21.305 7.305 1.00 0.00 H new ATOM 362 N SER A 27 17.921 23.170 9.596 1.00 0.00 N ATOM 363 CA SER A 27 17.927 24.584 9.957 1.00 0.00 C ATOM 364 C SER A 27 17.843 24.746 11.469 1.00 0.00 C ATOM 365 O SER A 27 18.158 25.799 12.011 1.00 0.00 O ATOM 366 CB SER A 27 16.756 25.315 9.293 1.00 0.00 C ATOM 367 OG SER A 27 16.821 26.715 9.523 1.00 0.00 O ATOM 0 H SER A 27 17.059 22.848 9.155 1.00 0.00 H new ATOM 0 HA SER A 27 18.861 25.021 9.603 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.765 25.120 8.221 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.815 24.925 9.680 1.00 0.00 H new ATOM 0 HG SER A 27 16.062 27.154 9.086 1.00 0.00 H new ATOM 373 N ARG A 28 17.419 23.692 12.140 1.00 0.00 N ATOM 374 CA ARG A 28 17.279 23.716 13.582 1.00 0.00 C ATOM 375 C ARG A 28 18.289 22.781 14.233 1.00 0.00 C ATOM 376 O ARG A 28 18.105 22.329 15.364 1.00 0.00 O ATOM 377 CB ARG A 28 15.862 23.347 13.967 1.00 0.00 C ATOM 378 CG ARG A 28 14.852 24.357 13.469 1.00 0.00 C ATOM 379 CD ARG A 28 13.471 24.006 13.947 1.00 0.00 C ATOM 380 NE ARG A 28 12.431 24.739 13.221 1.00 0.00 N ATOM 381 CZ ARG A 28 11.693 25.710 13.759 1.00 0.00 C ATOM 382 NH1 ARG A 28 11.912 26.097 15.007 1.00 0.00 N ATOM 383 NH2 ARG A 28 10.739 26.301 13.045 1.00 0.00 N ATOM 0 H ARG A 28 17.165 22.805 11.706 1.00 0.00 H new ATOM 0 HA ARG A 28 17.482 24.724 13.943 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.621 22.365 13.561 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.791 23.269 15.052 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.122 25.353 13.821 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.868 24.388 12.380 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.309 22.935 13.828 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.391 24.224 15.012 1.00 0.00 H new ATOM 0 HE ARG A 28 12.262 24.492 12.246 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.646 25.652 15.558 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.346 26.840 15.417 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.570 26.012 12.082 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.177 27.044 13.461 1.00 0.00 H new ATOM 397 N SER A 29 19.366 22.507 13.511 1.00 0.00 N ATOM 398 CA SER A 29 20.412 21.625 14.004 1.00 0.00 C ATOM 399 C SER A 29 21.344 22.372 14.951 1.00 0.00 C ATOM 400 O SER A 29 21.863 21.803 15.913 1.00 0.00 O ATOM 401 CB SER A 29 21.215 21.057 12.835 1.00 0.00 C ATOM 402 OG SER A 29 21.822 22.100 12.084 1.00 0.00 O ATOM 0 H SER A 29 19.538 22.884 12.579 1.00 0.00 H new ATOM 0 HA SER A 29 19.941 20.807 14.549 1.00 0.00 H new ATOM 0 HB2 SER A 29 21.982 20.379 13.210 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.561 20.471 12.189 1.00 0.00 H new ATOM 0 HG SER A 29 21.201 22.409 11.392 1.00 0.00 H new ATOM 408 N GLY A 30 21.551 23.652 14.659 1.00 0.00 N ATOM 409 CA GLY A 30 22.494 24.449 15.415 1.00 0.00 C ATOM 410 C GLY A 30 23.876 24.394 14.798 1.00 0.00 C ATOM 411 O GLY A 30 24.817 25.010 15.295 1.00 0.00 O ATOM 0 H GLY A 30 21.078 24.152 13.907 1.00 0.00 H new ATOM 0 HA2 GLY A 30 22.151 25.483 15.454 1.00 0.00 H new ATOM 0 HA3 GLY A 30 22.537 24.088 16.443 1.00 0.00 H new ATOM 415 N VAL A 31 23.990 23.653 13.700 1.00 0.00 N ATOM 416 CA VAL A 31 25.269 23.456 13.033 1.00 0.00 C ATOM 417 C VAL A 31 25.434 24.419 11.859 1.00 0.00 C ATOM 418 O VAL A 31 26.509 24.985 11.657 1.00 0.00 O ATOM 419 CB VAL A 31 25.405 22.007 12.518 1.00 0.00 C ATOM 420 CG1 VAL A 31 26.759 21.787 11.860 1.00 0.00 C ATOM 421 CG2 VAL A 31 25.193 21.012 13.650 1.00 0.00 C ATOM 0 H VAL A 31 23.206 23.177 13.253 1.00 0.00 H new ATOM 0 HA VAL A 31 26.049 23.653 13.769 1.00 0.00 H new ATOM 0 HB VAL A 31 24.633 21.844 11.766 1.00 0.00 H new ATOM 0 HG11 VAL A 31 26.829 20.758 11.506 1.00 0.00 H new ATOM 0 HG12 VAL A 31 26.869 22.469 11.017 1.00 0.00 H new ATOM 0 HG13 VAL A 31 27.551 21.976 12.585 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.293 19.997 13.266 1.00 0.00 H new ATOM 0 HG22 VAL A 31 25.938 21.181 14.427 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.196 21.145 14.069 1.00 0.00 H new ATOM 431 N LEU A 32 24.362 24.610 11.096 1.00 0.00 N ATOM 432 CA LEU A 32 24.421 25.432 9.890 1.00 0.00 C ATOM 433 C LEU A 32 24.539 26.910 10.230 1.00 0.00 C ATOM 434 O LEU A 32 24.287 27.330 11.362 1.00 0.00 O ATOM 435 CB LEU A 32 23.187 25.208 9.014 1.00 0.00 C ATOM 436 CG LEU A 32 22.963 23.770 8.547 1.00 0.00 C ATOM 437 CD1 LEU A 32 21.715 23.679 7.682 1.00 0.00 C ATOM 438 CD2 LEU A 32 24.170 23.246 7.786 1.00 0.00 C ATOM 0 H LEU A 32 23.445 24.209 11.290 1.00 0.00 H new ATOM 0 HA LEU A 32 25.311 25.128 9.339 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.306 25.533 9.568 1.00 0.00 H new ATOM 0 HB3 LEU A 32 23.266 25.849 8.136 1.00 0.00 H new ATOM 0 HG LEU A 32 22.824 23.149 9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 32 21.571 22.648 7.358 1.00 0.00 H new ATOM 0 HD12 LEU A 32 20.848 24.003 8.258 1.00 0.00 H new ATOM 0 HD13 LEU A 32 21.830 24.321 6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 32 23.982 22.221 7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 32 24.349 23.872 6.912 1.00 0.00 H new ATOM 0 HD23 LEU A 32 25.046 23.269 8.434 1.00 0.00 H new ATOM 450 N THR A 33 24.912 27.691 9.234 1.00 0.00 N ATOM 451 CA THR A 33 25.075 29.126 9.404 1.00 0.00 C ATOM 452 C THR A 33 23.767 29.843 9.103 1.00 0.00 C ATOM 453 O THR A 33 22.834 29.243 8.566 1.00 0.00 O ATOM 454 CB THR A 33 26.177 29.686 8.479 1.00 0.00 C ATOM 455 OG1 THR A 33 25.717 29.740 7.121 1.00 0.00 O ATOM 456 CG2 THR A 33 27.423 28.824 8.544 1.00 0.00 C ATOM 0 H THR A 33 25.110 27.355 8.292 1.00 0.00 H new ATOM 0 HA THR A 33 25.367 29.299 10.440 1.00 0.00 H new ATOM 0 HB THR A 33 26.417 30.692 8.822 1.00 0.00 H new ATOM 0 HG1 THR A 33 25.920 30.620 6.742 1.00 0.00 H new ATOM 0 HG21 THR A 33 28.186 29.237 7.884 1.00 0.00 H new ATOM 0 HG22 THR A 33 27.799 28.805 9.567 1.00 0.00 H new ATOM 0 HG23 THR A 33 27.181 27.810 8.227 1.00 0.00 H new ATOM 464 N ALA A 34 23.710 31.127 9.438 1.00 0.00 N ATOM 465 CA ALA A 34 22.534 31.938 9.163 1.00 0.00 C ATOM 466 C ALA A 34 22.256 31.989 7.667 1.00 0.00 C ATOM 467 O ALA A 34 21.106 32.080 7.238 1.00 0.00 O ATOM 468 CB ALA A 34 22.717 33.340 9.721 1.00 0.00 C ATOM 0 H ALA A 34 24.468 31.628 9.902 1.00 0.00 H new ATOM 0 HA ALA A 34 21.675 31.480 9.654 1.00 0.00 H new ATOM 0 HB1 ALA A 34 21.829 33.935 9.508 1.00 0.00 H new ATOM 0 HB2 ALA A 34 22.867 33.286 10.799 1.00 0.00 H new ATOM 0 HB3 ALA A 34 23.586 33.806 9.257 1.00 0.00 H new ATOM 474 N ASP A 35 23.324 31.909 6.879 1.00 0.00 N ATOM 475 CA ASP A 35 23.212 31.894 5.426 1.00 0.00 C ATOM 476 C ASP A 35 22.634 30.561 4.983 1.00 0.00 C ATOM 477 O ASP A 35 21.603 30.502 4.318 1.00 0.00 O ATOM 478 CB ASP A 35 24.586 32.075 4.763 1.00 0.00 C ATOM 479 CG ASP A 35 25.543 32.916 5.580 1.00 0.00 C ATOM 480 OD1 ASP A 35 26.152 32.368 6.526 1.00 0.00 O ATOM 481 OD2 ASP A 35 25.699 34.118 5.286 1.00 0.00 O ATOM 0 H ASP A 35 24.282 31.853 7.226 1.00 0.00 H new ATOM 0 HA ASP A 35 22.563 32.717 5.125 1.00 0.00 H new ATOM 0 HB2 ASP A 35 25.031 31.095 4.593 1.00 0.00 H new ATOM 0 HB3 ASP A 35 24.451 32.538 3.786 1.00 0.00 H new ATOM 486 N GLN A 36 23.308 29.493 5.394 1.00 0.00 N ATOM 487 CA GLN A 36 22.938 28.138 5.013 1.00 0.00 C ATOM 488 C GLN A 36 21.491 27.826 5.378 1.00 0.00 C ATOM 489 O GLN A 36 20.757 27.260 4.575 1.00 0.00 O ATOM 490 CB GLN A 36 23.885 27.133 5.673 1.00 0.00 C ATOM 491 CG GLN A 36 25.260 27.078 5.030 1.00 0.00 C ATOM 492 CD GLN A 36 26.207 26.168 5.783 1.00 0.00 C ATOM 493 OE1 GLN A 36 26.120 26.041 7.002 1.00 0.00 O ATOM 494 NE2 GLN A 36 27.100 25.511 5.061 1.00 0.00 N ATOM 0 H GLN A 36 24.126 29.544 6.001 1.00 0.00 H new ATOM 0 HA GLN A 36 23.026 28.057 3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 36 23.996 27.389 6.727 1.00 0.00 H new ATOM 0 HB3 GLN A 36 23.434 26.141 5.632 1.00 0.00 H new ATOM 0 HG2 GLN A 36 25.165 26.730 4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 36 25.680 28.083 4.988 1.00 0.00 H new ATOM 0 HE21 GLN A 36 27.138 25.646 4.051 1.00 0.00 H new ATOM 0 HE22 GLN A 36 27.750 24.870 5.515 1.00 0.00 H new ATOM 503 N MET A 37 21.077 28.227 6.574 1.00 0.00 N ATOM 504 CA MET A 37 19.730 27.931 7.056 1.00 0.00 C ATOM 505 C MET A 37 18.667 28.578 6.174 1.00 0.00 C ATOM 506 O MET A 37 17.656 27.954 5.854 1.00 0.00 O ATOM 507 CB MET A 37 19.554 28.394 8.507 1.00 0.00 C ATOM 508 CG MET A 37 20.409 27.629 9.506 1.00 0.00 C ATOM 509 SD MET A 37 20.053 28.066 11.218 1.00 0.00 S ATOM 510 CE MET A 37 20.526 29.792 11.252 1.00 0.00 C ATOM 0 H MET A 37 21.652 28.757 7.228 1.00 0.00 H new ATOM 0 HA MET A 37 19.602 26.850 7.012 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.798 29.454 8.572 1.00 0.00 H new ATOM 0 HB3 MET A 37 18.506 28.290 8.787 1.00 0.00 H new ATOM 0 HG2 MET A 37 20.249 26.560 9.369 1.00 0.00 H new ATOM 0 HG3 MET A 37 21.461 27.823 9.299 1.00 0.00 H new ATOM 0 HE1 MET A 37 20.410 30.181 12.264 1.00 0.00 H new ATOM 0 HE2 MET A 37 21.566 29.890 10.942 1.00 0.00 H new ATOM 0 HE3 MET A 37 19.890 30.357 10.571 1.00 0.00 H new ATOM 520 N ASP A 38 18.898 29.819 5.765 1.00 0.00 N ATOM 521 CA ASP A 38 17.914 30.540 4.968 1.00 0.00 C ATOM 522 C ASP A 38 17.977 30.108 3.507 1.00 0.00 C ATOM 523 O ASP A 38 16.952 30.021 2.826 1.00 0.00 O ATOM 524 CB ASP A 38 18.125 32.048 5.082 1.00 0.00 C ATOM 525 CG ASP A 38 17.067 32.835 4.334 1.00 0.00 C ATOM 526 OD1 ASP A 38 15.922 32.923 4.828 1.00 0.00 O ATOM 527 OD2 ASP A 38 17.378 33.385 3.255 1.00 0.00 O ATOM 0 H ASP A 38 19.749 30.343 5.969 1.00 0.00 H new ATOM 0 HA ASP A 38 16.925 30.298 5.357 1.00 0.00 H new ATOM 0 HB2 ASP A 38 18.113 32.336 6.133 1.00 0.00 H new ATOM 0 HB3 ASP A 38 19.110 32.305 4.692 1.00 0.00 H new ATOM 532 N ASP A 39 19.183 29.824 3.032 1.00 0.00 N ATOM 533 CA ASP A 39 19.371 29.327 1.671 1.00 0.00 C ATOM 534 C ASP A 39 18.777 27.925 1.524 1.00 0.00 C ATOM 535 O ASP A 39 18.394 27.515 0.428 1.00 0.00 O ATOM 536 CB ASP A 39 20.855 29.328 1.288 1.00 0.00 C ATOM 537 CG ASP A 39 21.359 30.699 0.865 1.00 0.00 C ATOM 538 OD1 ASP A 39 21.063 31.697 1.560 1.00 0.00 O ATOM 539 OD2 ASP A 39 22.049 30.789 -0.174 1.00 0.00 O ATOM 0 H ASP A 39 20.046 29.928 3.566 1.00 0.00 H new ATOM 0 HA ASP A 39 18.846 29.997 0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.443 28.976 2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 39 21.015 28.621 0.474 1.00 0.00 H new ATOM 544 N MET A 40 18.689 27.196 2.634 1.00 0.00 N ATOM 545 CA MET A 40 17.999 25.908 2.657 1.00 0.00 C ATOM 546 C MET A 40 16.523 26.093 2.322 1.00 0.00 C ATOM 547 O MET A 40 15.903 25.240 1.683 1.00 0.00 O ATOM 548 CB MET A 40 18.139 25.250 4.032 1.00 0.00 C ATOM 549 CG MET A 40 19.496 24.608 4.276 1.00 0.00 C ATOM 550 SD MET A 40 19.694 23.039 3.411 1.00 0.00 S ATOM 551 CE MET A 40 18.495 22.039 4.286 1.00 0.00 C ATOM 0 H MET A 40 19.087 27.475 3.530 1.00 0.00 H new ATOM 0 HA MET A 40 18.456 25.261 1.908 1.00 0.00 H new ATOM 0 HB2 MET A 40 17.960 26.000 4.802 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.365 24.491 4.140 1.00 0.00 H new ATOM 0 HG2 MET A 40 20.280 25.295 3.957 1.00 0.00 H new ATOM 0 HG3 MET A 40 19.629 24.447 5.346 1.00 0.00 H new ATOM 0 HE1 MET A 40 18.855 21.012 4.349 1.00 0.00 H new ATOM 0 HE2 MET A 40 18.354 22.437 5.291 1.00 0.00 H new ATOM 0 HE3 MET A 40 17.545 22.058 3.751 1.00 0.00 H new ATOM 561 N GLY A 41 15.972 27.227 2.743 1.00 0.00 N ATOM 562 CA GLY A 41 14.582 27.531 2.472 1.00 0.00 C ATOM 563 C GLY A 41 14.311 27.689 0.991 1.00 0.00 C ATOM 564 O GLY A 41 13.365 27.108 0.461 1.00 0.00 O ATOM 0 H GLY A 41 16.469 27.945 3.271 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.953 26.736 2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.304 28.449 2.991 1.00 0.00 H new ATOM 568 N MET A 42 15.158 28.459 0.312 1.00 0.00 N ATOM 569 CA MET A 42 14.997 28.682 -1.121 1.00 0.00 C ATOM 570 C MET A 42 15.326 27.411 -1.901 1.00 0.00 C ATOM 571 O MET A 42 14.881 27.232 -3.032 1.00 0.00 O ATOM 572 CB MET A 42 15.871 29.847 -1.601 1.00 0.00 C ATOM 573 CG MET A 42 17.358 29.552 -1.558 1.00 0.00 C ATOM 574 SD MET A 42 18.373 30.955 -2.063 1.00 0.00 S ATOM 575 CE MET A 42 17.945 32.163 -0.813 1.00 0.00 C ATOM 0 H MET A 42 15.958 28.936 0.728 1.00 0.00 H new ATOM 0 HA MET A 42 13.955 28.944 -1.305 1.00 0.00 H new ATOM 0 HB2 MET A 42 15.590 30.104 -2.622 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.665 30.722 -0.984 1.00 0.00 H new ATOM 0 HG2 MET A 42 17.635 29.257 -0.546 1.00 0.00 H new ATOM 0 HG3 MET A 42 17.573 28.703 -2.207 1.00 0.00 H new ATOM 0 HE1 MET A 42 18.840 32.708 -0.512 1.00 0.00 H new ATOM 0 HE2 MET A 42 17.214 32.862 -1.218 1.00 0.00 H new ATOM 0 HE3 MET A 42 17.521 31.655 0.053 1.00 0.00 H new ATOM 585 N MET A 43 16.097 26.525 -1.283 1.00 0.00 N ATOM 586 CA MET A 43 16.393 25.228 -1.873 1.00 0.00 C ATOM 587 C MET A 43 15.109 24.407 -1.976 1.00 0.00 C ATOM 588 O MET A 43 14.754 23.919 -3.049 1.00 0.00 O ATOM 589 CB MET A 43 17.451 24.502 -1.032 1.00 0.00 C ATOM 590 CG MET A 43 17.807 23.104 -1.525 1.00 0.00 C ATOM 591 SD MET A 43 16.627 21.838 -1.008 1.00 0.00 S ATOM 592 CE MET A 43 16.781 21.933 0.774 1.00 0.00 C ATOM 0 H MET A 43 16.529 26.682 -0.372 1.00 0.00 H new ATOM 0 HA MET A 43 16.795 25.363 -2.877 1.00 0.00 H new ATOM 0 HB2 MET A 43 18.357 25.107 -1.012 1.00 0.00 H new ATOM 0 HB3 MET A 43 17.093 24.430 -0.005 1.00 0.00 H new ATOM 0 HG2 MET A 43 17.864 23.114 -2.613 1.00 0.00 H new ATOM 0 HG3 MET A 43 18.798 22.838 -1.157 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.492 20.979 1.216 1.00 0.00 H new ATOM 0 HE2 MET A 43 17.814 22.157 1.038 1.00 0.00 H new ATOM 0 HE3 MET A 43 16.130 22.721 1.154 1.00 0.00 H new ATOM 602 N ALA A 44 14.402 24.292 -0.856 1.00 0.00 N ATOM 603 CA ALA A 44 13.126 23.589 -0.820 1.00 0.00 C ATOM 604 C ALA A 44 12.115 24.288 -1.717 1.00 0.00 C ATOM 605 O ALA A 44 11.269 23.646 -2.345 1.00 0.00 O ATOM 606 CB ALA A 44 12.605 23.510 0.607 1.00 0.00 C ATOM 0 H ALA A 44 14.694 24.679 0.042 1.00 0.00 H new ATOM 0 HA ALA A 44 13.276 22.574 -1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.651 22.982 0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.323 22.974 1.227 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.467 24.517 1.000 1.00 0.00 H new ATOM 612 N ASP A 45 12.231 25.611 -1.779 1.00 0.00 N ATOM 613 CA ASP A 45 11.387 26.434 -2.635 1.00 0.00 C ATOM 614 C ASP A 45 11.541 26.015 -4.095 1.00 0.00 C ATOM 615 O ASP A 45 10.557 25.890 -4.830 1.00 0.00 O ATOM 616 CB ASP A 45 11.752 27.910 -2.468 1.00 0.00 C ATOM 617 CG ASP A 45 10.808 28.839 -3.202 1.00 0.00 C ATOM 618 OD1 ASP A 45 11.057 29.137 -4.389 1.00 0.00 O ATOM 619 OD2 ASP A 45 9.816 29.286 -2.589 1.00 0.00 O ATOM 0 H ASP A 45 12.913 26.141 -1.237 1.00 0.00 H new ATOM 0 HA ASP A 45 10.347 26.292 -2.341 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.749 28.162 -1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.767 28.071 -2.831 1.00 0.00 H new ATOM 624 N SER A 46 12.783 25.773 -4.496 1.00 0.00 N ATOM 625 CA SER A 46 13.093 25.340 -5.848 1.00 0.00 C ATOM 626 C SER A 46 12.538 23.938 -6.109 1.00 0.00 C ATOM 627 O SER A 46 12.003 23.666 -7.185 1.00 0.00 O ATOM 628 CB SER A 46 14.613 25.363 -6.061 1.00 0.00 C ATOM 629 OG SER A 46 14.968 25.050 -7.397 1.00 0.00 O ATOM 0 H SER A 46 13.600 25.872 -3.893 1.00 0.00 H new ATOM 0 HA SER A 46 12.623 26.025 -6.553 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.000 26.349 -5.805 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.084 24.650 -5.384 1.00 0.00 H new ATOM 0 HG SER A 46 15.938 24.921 -7.456 1.00 0.00 H new ATOM 635 N VAL A 47 12.646 23.062 -5.111 1.00 0.00 N ATOM 636 CA VAL A 47 12.202 21.676 -5.250 1.00 0.00 C ATOM 637 C VAL A 47 10.726 21.592 -5.639 1.00 0.00 C ATOM 638 O VAL A 47 10.376 20.924 -6.611 1.00 0.00 O ATOM 639 CB VAL A 47 12.436 20.860 -3.957 1.00 0.00 C ATOM 640 CG1 VAL A 47 11.961 19.422 -4.132 1.00 0.00 C ATOM 641 CG2 VAL A 47 13.906 20.885 -3.570 1.00 0.00 C ATOM 0 H VAL A 47 13.038 23.288 -4.197 1.00 0.00 H new ATOM 0 HA VAL A 47 12.805 21.244 -6.049 1.00 0.00 H new ATOM 0 HB VAL A 47 11.856 21.319 -3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.135 18.867 -3.210 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.896 19.416 -4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.512 18.954 -4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 47 14.052 20.306 -2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.501 20.452 -4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.220 21.915 -3.400 1.00 0.00 H new ATOM 651 N ASN A 48 9.858 22.281 -4.896 1.00 0.00 N ATOM 652 CA ASN A 48 8.431 22.221 -5.179 1.00 0.00 C ATOM 653 C ASN A 48 8.099 22.947 -6.473 1.00 0.00 C ATOM 654 O ASN A 48 7.121 22.617 -7.135 1.00 0.00 O ATOM 655 CB ASN A 48 7.588 22.777 -4.025 1.00 0.00 C ATOM 656 CG ASN A 48 7.817 24.249 -3.745 1.00 0.00 C ATOM 657 OD1 ASN A 48 8.652 24.537 -2.764 1.00 0.00 O flip ATOM 658 ND2 ASN A 48 7.220 25.117 -4.381 1.00 0.00 N flip ATOM 0 H ASN A 48 10.116 22.876 -4.108 1.00 0.00 H new ATOM 0 HA ASN A 48 8.178 21.167 -5.294 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.533 22.621 -4.252 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.808 22.208 -3.122 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.583 24.852 -5.132 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.362 26.102 -4.157 1.00 0.00 H new ATOM 665 N SER A 49 8.916 23.923 -6.839 1.00 0.00 N ATOM 666 CA SER A 49 8.744 24.617 -8.106 1.00 0.00 C ATOM 667 C SER A 49 8.862 23.622 -9.255 1.00 0.00 C ATOM 668 O SER A 49 7.991 23.542 -10.118 1.00 0.00 O ATOM 669 CB SER A 49 9.793 25.723 -8.251 1.00 0.00 C ATOM 670 OG SER A 49 9.667 26.407 -9.487 1.00 0.00 O ATOM 0 H SER A 49 9.702 24.252 -6.279 1.00 0.00 H new ATOM 0 HA SER A 49 7.755 25.075 -8.131 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.689 26.433 -7.430 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.791 25.291 -8.174 1.00 0.00 H new ATOM 0 HG SER A 49 10.351 27.107 -9.545 1.00 0.00 H new ATOM 676 N GLN A 50 9.930 22.839 -9.229 1.00 0.00 N ATOM 677 CA GLN A 50 10.205 21.870 -10.279 1.00 0.00 C ATOM 678 C GLN A 50 9.221 20.703 -10.217 1.00 0.00 C ATOM 679 O GLN A 50 8.642 20.308 -11.228 1.00 0.00 O ATOM 680 CB GLN A 50 11.637 21.356 -10.136 1.00 0.00 C ATOM 681 CG GLN A 50 12.666 22.469 -10.004 1.00 0.00 C ATOM 682 CD GLN A 50 14.058 21.944 -9.722 1.00 0.00 C ATOM 683 OE1 GLN A 50 14.423 20.860 -10.166 1.00 0.00 O ATOM 684 NE2 GLN A 50 14.838 22.699 -8.963 1.00 0.00 N ATOM 0 H GLN A 50 10.627 22.857 -8.484 1.00 0.00 H new ATOM 0 HA GLN A 50 10.088 22.360 -11.245 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.698 20.709 -9.261 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.884 20.743 -11.003 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.682 23.055 -10.923 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.366 23.143 -9.201 1.00 0.00 H new ATOM 0 HE21 GLN A 50 14.497 23.594 -8.613 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.780 22.385 -8.728 1.00 0.00 H new ATOM 693 N MET A 51 9.027 20.171 -9.014 1.00 0.00 N ATOM 694 CA MET A 51 8.184 18.998 -8.804 1.00 0.00 C ATOM 695 C MET A 51 6.735 19.234 -9.234 1.00 0.00 C ATOM 696 O MET A 51 6.128 18.376 -9.876 1.00 0.00 O ATOM 697 CB MET A 51 8.250 18.569 -7.334 1.00 0.00 C ATOM 698 CG MET A 51 7.288 17.448 -6.965 1.00 0.00 C ATOM 699 SD MET A 51 5.796 18.055 -6.150 1.00 0.00 S ATOM 700 CE MET A 51 6.476 18.641 -4.600 1.00 0.00 C ATOM 0 H MET A 51 9.448 20.539 -8.161 1.00 0.00 H new ATOM 0 HA MET A 51 8.570 18.197 -9.435 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.267 18.249 -7.106 1.00 0.00 H new ATOM 0 HB3 MET A 51 8.040 19.434 -6.705 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.009 16.902 -7.866 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.794 16.741 -6.308 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.846 19.437 -4.204 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.514 17.819 -3.885 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.483 19.024 -4.766 1.00 0.00 H new ATOM 710 N GLN A 52 6.185 20.398 -8.906 1.00 0.00 N ATOM 711 CA GLN A 52 4.787 20.678 -9.221 1.00 0.00 C ATOM 712 C GLN A 52 4.593 20.927 -10.712 1.00 0.00 C ATOM 713 O GLN A 52 3.473 20.873 -11.218 1.00 0.00 O ATOM 714 CB GLN A 52 4.273 21.870 -8.418 1.00 0.00 C ATOM 715 CG GLN A 52 4.271 21.632 -6.916 1.00 0.00 C ATOM 716 CD GLN A 52 3.710 22.805 -6.144 1.00 0.00 C ATOM 717 OE1 GLN A 52 4.564 23.761 -5.820 1.00 0.00 O flip ATOM 718 NE2 GLN A 52 2.517 22.861 -5.852 1.00 0.00 N flip ATOM 0 H GLN A 52 6.676 21.154 -8.429 1.00 0.00 H new ATOM 0 HA GLN A 52 4.209 19.796 -8.944 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.890 22.741 -8.639 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.260 22.107 -8.742 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.684 20.741 -6.694 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.289 21.435 -6.581 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.890 22.102 -6.120 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.154 23.666 -5.342 1.00 0.00 H new ATOM 727 N LYS A 53 5.678 21.205 -11.418 1.00 0.00 N ATOM 728 CA LYS A 53 5.616 21.382 -12.860 1.00 0.00 C ATOM 729 C LYS A 53 5.816 20.043 -13.563 1.00 0.00 C ATOM 730 O LYS A 53 5.420 19.870 -14.716 1.00 0.00 O ATOM 731 CB LYS A 53 6.670 22.389 -13.323 1.00 0.00 C ATOM 732 CG LYS A 53 6.483 23.776 -12.730 1.00 0.00 C ATOM 733 CD LYS A 53 7.588 24.729 -13.166 1.00 0.00 C ATOM 734 CE LYS A 53 7.551 26.028 -12.371 1.00 0.00 C ATOM 735 NZ LYS A 53 6.252 26.736 -12.508 1.00 0.00 N ATOM 0 H LYS A 53 6.610 21.313 -11.017 1.00 0.00 H new ATOM 0 HA LYS A 53 4.632 21.771 -13.120 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.659 22.018 -13.054 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.641 22.460 -14.410 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.516 24.175 -13.036 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.469 23.708 -11.642 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.557 24.248 -13.034 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.482 24.948 -14.228 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.736 25.813 -11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.356 26.681 -12.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.319 27.674 -12.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.021 26.846 -13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.505 26.184 -12.040 1.00 0.00 H new ATOM 749 N MET A 54 6.421 19.100 -12.849 1.00 0.00 N ATOM 750 CA MET A 54 6.682 17.769 -13.385 1.00 0.00 C ATOM 751 C MET A 54 5.372 17.027 -13.651 1.00 0.00 C ATOM 752 O MET A 54 5.193 16.423 -14.711 1.00 0.00 O ATOM 753 CB MET A 54 7.576 16.981 -12.417 1.00 0.00 C ATOM 754 CG MET A 54 7.889 15.566 -12.879 1.00 0.00 C ATOM 755 SD MET A 54 9.279 14.821 -11.996 1.00 0.00 S ATOM 756 CE MET A 54 8.723 14.888 -10.290 1.00 0.00 C ATOM 0 H MET A 54 6.742 19.235 -11.890 1.00 0.00 H new ATOM 0 HA MET A 54 7.205 17.868 -14.336 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.512 17.523 -12.280 1.00 0.00 H new ATOM 0 HB3 MET A 54 7.088 16.935 -11.443 1.00 0.00 H new ATOM 0 HG2 MET A 54 7.005 14.943 -12.744 1.00 0.00 H new ATOM 0 HG3 MET A 54 8.110 15.579 -13.946 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.249 14.133 -9.706 1.00 0.00 H new ATOM 0 HE2 MET A 54 8.931 15.875 -9.878 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.651 14.696 -10.249 1.00 0.00 H new ATOM 766 N GLY A 55 4.457 17.080 -12.693 1.00 0.00 N ATOM 767 CA GLY A 55 3.140 16.512 -12.902 1.00 0.00 C ATOM 768 C GLY A 55 2.850 15.331 -11.996 1.00 0.00 C ATOM 769 O GLY A 55 3.749 14.823 -11.330 1.00 0.00 O ATOM 0 H GLY A 55 4.602 17.505 -11.777 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.388 17.283 -12.735 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.048 16.196 -13.941 1.00 0.00 H new ATOM 773 N PRO A 56 1.585 14.893 -11.943 1.00 0.00 N ATOM 774 CA PRO A 56 1.175 13.726 -11.162 1.00 0.00 C ATOM 775 C PRO A 56 1.438 12.409 -11.895 1.00 0.00 C ATOM 776 O PRO A 56 1.123 12.274 -13.082 1.00 0.00 O ATOM 777 CB PRO A 56 -0.323 13.953 -10.985 1.00 0.00 C ATOM 778 CG PRO A 56 -0.739 14.676 -12.219 1.00 0.00 C ATOM 779 CD PRO A 56 0.441 15.522 -12.630 1.00 0.00 C ATOM 0 HA PRO A 56 1.728 13.637 -10.227 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.858 13.009 -10.879 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.533 14.540 -10.091 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.009 13.975 -13.009 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.615 15.296 -12.030 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.575 15.522 -13.712 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.314 16.561 -12.325 1.00 0.00 H new ATOM 787 N ASN A 57 1.998 11.441 -11.170 1.00 0.00 N ATOM 788 CA ASN A 57 2.357 10.132 -11.735 1.00 0.00 C ATOM 789 C ASN A 57 3.244 10.280 -12.975 1.00 0.00 C ATOM 790 O ASN A 57 2.837 9.924 -14.083 1.00 0.00 O ATOM 791 CB ASN A 57 1.108 9.310 -12.093 1.00 0.00 C ATOM 792 CG ASN A 57 0.343 8.821 -10.879 1.00 0.00 C ATOM 793 OD1 ASN A 57 0.620 7.745 -10.345 1.00 0.00 O ATOM 794 ND2 ASN A 57 -0.638 9.595 -10.446 1.00 0.00 N ATOM 0 H ASN A 57 2.217 11.537 -10.178 1.00 0.00 H new ATOM 0 HA ASN A 57 2.916 9.602 -10.964 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.446 9.918 -12.710 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.407 8.452 -12.695 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.197 9.308 -9.642 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.836 10.479 -10.916 1.00 0.00 H new ATOM 801 N PRO A 58 4.451 10.841 -12.813 1.00 0.00 N ATOM 802 CA PRO A 58 5.406 11.006 -13.903 1.00 0.00 C ATOM 803 C PRO A 58 6.279 9.760 -14.098 1.00 0.00 C ATOM 804 O PRO A 58 6.243 8.835 -13.279 1.00 0.00 O ATOM 805 CB PRO A 58 6.258 12.208 -13.443 1.00 0.00 C ATOM 806 CG PRO A 58 5.730 12.596 -12.093 1.00 0.00 C ATOM 807 CD PRO A 58 4.989 11.400 -11.576 1.00 0.00 C ATOM 0 HA PRO A 58 4.917 11.160 -14.865 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.313 11.940 -13.387 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.176 13.036 -14.147 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.543 12.871 -11.421 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.071 13.461 -12.166 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.647 10.700 -11.060 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.203 11.676 -10.873 1.00 0.00 H new ATOM 815 N PRO A 59 7.069 9.712 -15.192 1.00 0.00 N ATOM 816 CA PRO A 59 7.958 8.580 -15.475 1.00 0.00 C ATOM 817 C PRO A 59 9.031 8.409 -14.404 1.00 0.00 C ATOM 818 O PRO A 59 9.619 9.392 -13.941 1.00 0.00 O ATOM 819 CB PRO A 59 8.611 8.937 -16.814 1.00 0.00 C ATOM 820 CG PRO A 59 7.773 10.025 -17.394 1.00 0.00 C ATOM 821 CD PRO A 59 7.149 10.747 -16.235 1.00 0.00 C ATOM 0 HA PRO A 59 7.407 7.640 -15.497 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.640 9.269 -16.672 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.643 8.072 -17.477 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.380 10.704 -17.993 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.008 9.615 -18.053 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.756 11.594 -15.915 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.164 11.139 -16.489 1.00 0.00 H new ATOM 829 N GLN A 60 9.310 7.158 -14.047 1.00 0.00 N ATOM 830 CA GLN A 60 10.239 6.851 -12.963 1.00 0.00 C ATOM 831 C GLN A 60 11.630 7.422 -13.233 1.00 0.00 C ATOM 832 O GLN A 60 12.290 7.898 -12.314 1.00 0.00 O ATOM 833 CB GLN A 60 10.335 5.339 -12.740 1.00 0.00 C ATOM 834 CG GLN A 60 11.219 4.961 -11.561 1.00 0.00 C ATOM 835 CD GLN A 60 11.372 3.465 -11.389 1.00 0.00 C ATOM 836 OE1 GLN A 60 12.282 2.854 -11.946 1.00 0.00 O ATOM 837 NE2 GLN A 60 10.484 2.865 -10.613 1.00 0.00 N ATOM 0 H GLN A 60 8.904 6.337 -14.495 1.00 0.00 H new ATOM 0 HA GLN A 60 9.846 7.321 -12.061 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.334 4.938 -12.579 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.725 4.869 -13.643 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.204 5.408 -11.695 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.799 5.384 -10.649 1.00 0.00 H new ATOM 0 HE21 GLN A 60 9.744 3.409 -10.169 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.539 1.858 -10.458 1.00 0.00 H new ATOM 846 N HIS A 61 12.064 7.399 -14.490 1.00 0.00 N ATOM 847 CA HIS A 61 13.407 7.865 -14.835 1.00 0.00 C ATOM 848 C HIS A 61 13.545 9.372 -14.607 1.00 0.00 C ATOM 849 O HIS A 61 14.652 9.885 -14.477 1.00 0.00 O ATOM 850 CB HIS A 61 13.782 7.489 -16.286 1.00 0.00 C ATOM 851 CG HIS A 61 13.044 8.238 -17.361 1.00 0.00 C ATOM 852 ND1 HIS A 61 11.982 7.708 -18.058 1.00 0.00 N ATOM 853 CD2 HIS A 61 13.249 9.472 -17.882 1.00 0.00 C ATOM 854 CE1 HIS A 61 11.569 8.580 -18.959 1.00 0.00 C ATOM 855 NE2 HIS A 61 12.320 9.659 -18.873 1.00 0.00 N ATOM 0 H HIS A 61 11.513 7.066 -15.281 1.00 0.00 H new ATOM 0 HA HIS A 61 14.108 7.359 -14.171 1.00 0.00 H new ATOM 0 HB2 HIS A 61 14.851 7.654 -16.421 1.00 0.00 H new ATOM 0 HB3 HIS A 61 13.605 6.422 -16.424 1.00 0.00 H new ATOM 0 HD2 HIS A 61 14.005 10.179 -17.573 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.752 8.433 -19.651 1.00 0.00 H new ATOM 0 HE2 HIS A 61 12.226 10.496 -19.449 1.00 0.00 H new ATOM 863 N ARG A 62 12.420 10.077 -14.559 1.00 0.00 N ATOM 864 CA ARG A 62 12.436 11.501 -14.245 1.00 0.00 C ATOM 865 C ARG A 62 12.464 11.697 -12.736 1.00 0.00 C ATOM 866 O ARG A 62 13.159 12.568 -12.222 1.00 0.00 O ATOM 867 CB ARG A 62 11.215 12.205 -14.847 1.00 0.00 C ATOM 868 CG ARG A 62 11.317 12.449 -16.347 1.00 0.00 C ATOM 869 CD ARG A 62 12.287 13.578 -16.669 1.00 0.00 C ATOM 870 NE ARG A 62 12.369 13.831 -18.108 1.00 0.00 N ATOM 871 CZ ARG A 62 12.449 15.046 -18.656 1.00 0.00 C ATOM 872 NH1 ARG A 62 12.473 16.132 -17.888 1.00 0.00 N ATOM 873 NH2 ARG A 62 12.524 15.170 -19.973 1.00 0.00 N ATOM 0 H ARG A 62 11.492 9.690 -14.732 1.00 0.00 H new ATOM 0 HA ARG A 62 13.333 11.942 -14.681 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.327 11.605 -14.647 1.00 0.00 H new ATOM 0 HB3 ARG A 62 11.074 13.161 -14.343 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.644 11.535 -16.843 1.00 0.00 H new ATOM 0 HG3 ARG A 62 10.331 12.692 -16.744 1.00 0.00 H new ATOM 0 HD2 ARG A 62 11.969 14.487 -16.158 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.277 13.327 -16.287 1.00 0.00 H new ATOM 0 HE ARG A 62 12.365 13.026 -18.734 1.00 0.00 H new ATOM 0 HH11 ARG A 62 12.430 16.040 -16.873 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.534 17.057 -18.314 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.520 14.339 -20.565 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.585 16.096 -20.395 1.00 0.00 H new ATOM 887 N LEU A 63 11.721 10.852 -12.033 1.00 0.00 N ATOM 888 CA LEU A 63 11.654 10.901 -10.574 1.00 0.00 C ATOM 889 C LEU A 63 12.998 10.498 -9.982 1.00 0.00 C ATOM 890 O LEU A 63 13.479 11.083 -9.010 1.00 0.00 O ATOM 891 CB LEU A 63 10.562 9.950 -10.076 1.00 0.00 C ATOM 892 CG LEU A 63 9.257 9.998 -10.871 1.00 0.00 C ATOM 893 CD1 LEU A 63 8.229 9.052 -10.282 1.00 0.00 C ATOM 894 CD2 LEU A 63 8.710 11.410 -10.921 1.00 0.00 C ATOM 0 H LEU A 63 11.151 10.117 -12.452 1.00 0.00 H new ATOM 0 HA LEU A 63 11.416 11.917 -10.260 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.949 8.931 -10.101 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.345 10.183 -9.034 1.00 0.00 H new ATOM 0 HG LEU A 63 9.473 9.676 -11.890 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.310 9.105 -10.865 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.616 8.033 -10.306 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.021 9.337 -9.251 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.781 11.420 -11.492 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.517 11.762 -9.907 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.438 12.065 -11.400 1.00 0.00 H new ATOM 906 N ARG A 64 13.604 9.505 -10.610 1.00 0.00 N ATOM 907 CA ARG A 64 14.907 8.993 -10.215 1.00 0.00 C ATOM 908 C ARG A 64 16.015 9.922 -10.716 1.00 0.00 C ATOM 909 O ARG A 64 17.200 9.642 -10.563 1.00 0.00 O ATOM 910 CB ARG A 64 15.057 7.575 -10.776 1.00 0.00 C ATOM 911 CG ARG A 64 16.320 6.831 -10.376 1.00 0.00 C ATOM 912 CD ARG A 64 16.039 5.340 -10.324 1.00 0.00 C ATOM 913 NE ARG A 64 17.188 4.514 -10.698 1.00 0.00 N ATOM 914 CZ ARG A 64 18.062 3.995 -9.838 1.00 0.00 C ATOM 915 NH1 ARG A 64 18.085 4.388 -8.570 1.00 0.00 N ATOM 916 NH2 ARG A 64 18.945 3.102 -10.265 1.00 0.00 N ATOM 0 H ARG A 64 13.202 9.026 -11.416 1.00 0.00 H new ATOM 0 HA ARG A 64 14.990 8.955 -9.129 1.00 0.00 H new ATOM 0 HB2 ARG A 64 14.196 6.987 -10.458 1.00 0.00 H new ATOM 0 HB3 ARG A 64 15.021 7.630 -11.864 1.00 0.00 H new ATOM 0 HG2 ARG A 64 17.117 7.036 -11.091 1.00 0.00 H new ATOM 0 HG3 ARG A 64 16.667 7.180 -9.403 1.00 0.00 H new ATOM 0 HD2 ARG A 64 15.723 5.073 -9.315 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.206 5.112 -10.989 1.00 0.00 H new ATOM 0 HE ARG A 64 17.329 4.322 -11.690 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.428 5.096 -8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.760 3.982 -7.922 1.00 0.00 H new ATOM 0 HH21 ARG A 64 18.951 2.818 -11.245 1.00 0.00 H new ATOM 0 HH22 ARG A 64 19.618 2.699 -9.614 1.00 0.00 H new ATOM 930 N ALA A 65 15.609 11.028 -11.324 1.00 0.00 N ATOM 931 CA ALA A 65 16.545 12.060 -11.748 1.00 0.00 C ATOM 932 C ALA A 65 16.310 13.352 -10.965 1.00 0.00 C ATOM 933 O ALA A 65 17.113 14.282 -11.026 1.00 0.00 O ATOM 934 CB ALA A 65 16.422 12.313 -13.245 1.00 0.00 C ATOM 0 H ALA A 65 14.633 11.234 -11.535 1.00 0.00 H new ATOM 0 HA ALA A 65 17.557 11.711 -11.541 1.00 0.00 H new ATOM 0 HB1 ALA A 65 17.129 13.087 -13.542 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.640 11.394 -13.789 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.408 12.639 -13.477 1.00 0.00 H new ATOM 940 N MET A 66 15.215 13.394 -10.204 1.00 0.00 N ATOM 941 CA MET A 66 14.871 14.589 -9.430 1.00 0.00 C ATOM 942 C MET A 66 15.789 14.707 -8.229 1.00 0.00 C ATOM 943 O MET A 66 16.003 15.795 -7.689 1.00 0.00 O ATOM 944 CB MET A 66 13.411 14.553 -8.971 1.00 0.00 C ATOM 945 CG MET A 66 12.419 14.953 -10.051 1.00 0.00 C ATOM 946 SD MET A 66 12.650 16.655 -10.613 1.00 0.00 S ATOM 947 CE MET A 66 12.346 17.571 -9.102 1.00 0.00 C ATOM 0 H MET A 66 14.556 12.622 -10.107 1.00 0.00 H new ATOM 0 HA MET A 66 15.001 15.459 -10.074 1.00 0.00 H new ATOM 0 HB2 MET A 66 13.173 13.547 -8.626 1.00 0.00 H new ATOM 0 HB3 MET A 66 13.292 15.219 -8.116 1.00 0.00 H new ATOM 0 HG2 MET A 66 12.520 14.277 -10.900 1.00 0.00 H new ATOM 0 HG3 MET A 66 11.405 14.835 -9.669 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.727 18.441 -9.322 1.00 0.00 H new ATOM 0 HE2 MET A 66 11.831 16.931 -8.386 1.00 0.00 H new ATOM 0 HE3 MET A 66 13.295 17.899 -8.678 1.00 0.00 H new ATOM 957 N ASN A 67 16.337 13.571 -7.832 1.00 0.00 N ATOM 958 CA ASN A 67 17.328 13.517 -6.770 1.00 0.00 C ATOM 959 C ASN A 67 18.550 14.348 -7.141 1.00 0.00 C ATOM 960 O ASN A 67 19.210 14.905 -6.276 1.00 0.00 O ATOM 961 CB ASN A 67 17.723 12.062 -6.489 1.00 0.00 C ATOM 962 CG ASN A 67 18.002 11.262 -7.751 1.00 0.00 C ATOM 963 OD1 ASN A 67 18.571 11.765 -8.721 1.00 0.00 O ATOM 964 ND2 ASN A 67 17.560 10.019 -7.767 1.00 0.00 N ATOM 0 H ASN A 67 16.109 12.662 -8.235 1.00 0.00 H new ATOM 0 HA ASN A 67 16.894 13.937 -5.862 1.00 0.00 H new ATOM 0 HB2 ASN A 67 18.610 12.049 -5.855 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.924 11.577 -5.929 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.685 9.444 -8.600 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.093 9.633 -6.946 1.00 0.00 H new ATOM 971 N THR A 68 18.815 14.453 -8.439 1.00 0.00 N ATOM 972 CA THR A 68 19.943 15.221 -8.936 1.00 0.00 C ATOM 973 C THR A 68 19.649 16.713 -8.862 1.00 0.00 C ATOM 974 O THR A 68 20.508 17.509 -8.482 1.00 0.00 O ATOM 975 CB THR A 68 20.263 14.828 -10.390 1.00 0.00 C ATOM 976 OG1 THR A 68 20.393 13.403 -10.485 1.00 0.00 O ATOM 977 CG2 THR A 68 21.542 15.494 -10.877 1.00 0.00 C ATOM 0 H THR A 68 18.256 14.010 -9.169 1.00 0.00 H new ATOM 0 HA THR A 68 20.806 14.999 -8.309 1.00 0.00 H new ATOM 0 HB THR A 68 19.443 15.169 -11.023 1.00 0.00 H new ATOM 0 HG1 THR A 68 19.759 12.975 -9.872 1.00 0.00 H new ATOM 0 HG21 THR A 68 21.739 15.195 -11.907 1.00 0.00 H new ATOM 0 HG22 THR A 68 21.429 16.577 -10.829 1.00 0.00 H new ATOM 0 HG23 THR A 68 22.375 15.187 -10.245 1.00 0.00 H new ATOM 985 N ALA A 69 18.422 17.078 -9.208 1.00 0.00 N ATOM 986 CA ALA A 69 18.003 18.470 -9.191 1.00 0.00 C ATOM 987 C ALA A 69 18.078 19.047 -7.782 1.00 0.00 C ATOM 988 O ALA A 69 18.659 20.110 -7.566 1.00 0.00 O ATOM 989 CB ALA A 69 16.597 18.599 -9.752 1.00 0.00 C ATOM 0 H ALA A 69 17.697 16.425 -9.505 1.00 0.00 H new ATOM 0 HA ALA A 69 18.684 19.042 -9.821 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.293 19.646 -9.735 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.580 18.233 -10.779 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.908 18.011 -9.146 1.00 0.00 H new ATOM 995 N MET A 70 17.510 18.329 -6.820 1.00 0.00 N ATOM 996 CA MET A 70 17.501 18.786 -5.440 1.00 0.00 C ATOM 997 C MET A 70 18.905 18.744 -4.848 1.00 0.00 C ATOM 998 O MET A 70 19.321 19.672 -4.158 1.00 0.00 O ATOM 999 CB MET A 70 16.535 17.941 -4.608 1.00 0.00 C ATOM 1000 CG MET A 70 16.900 16.470 -4.518 1.00 0.00 C ATOM 1001 SD MET A 70 15.691 15.499 -3.597 1.00 0.00 S ATOM 1002 CE MET A 70 15.847 16.206 -1.958 1.00 0.00 C ATOM 0 H MET A 70 17.051 17.431 -6.972 1.00 0.00 H new ATOM 0 HA MET A 70 17.159 19.821 -5.420 1.00 0.00 H new ATOM 0 HB2 MET A 70 16.488 18.353 -3.600 1.00 0.00 H new ATOM 0 HB3 MET A 70 15.536 18.029 -5.035 1.00 0.00 H new ATOM 0 HG2 MET A 70 16.994 16.062 -5.525 1.00 0.00 H new ATOM 0 HG3 MET A 70 17.875 16.372 -4.042 1.00 0.00 H new ATOM 0 HE1 MET A 70 15.387 15.539 -1.229 1.00 0.00 H new ATOM 0 HE2 MET A 70 16.902 16.335 -1.716 1.00 0.00 H new ATOM 0 HE3 MET A 70 15.347 17.174 -1.930 1.00 0.00 H new ATOM 1012 N ALA A 71 19.628 17.661 -5.126 1.00 0.00 N ATOM 1013 CA ALA A 71 21.016 17.520 -4.691 1.00 0.00 C ATOM 1014 C ALA A 71 21.855 18.729 -5.082 1.00 0.00 C ATOM 1015 O ALA A 71 22.645 19.224 -4.284 1.00 0.00 O ATOM 1016 CB ALA A 71 21.637 16.266 -5.279 1.00 0.00 C ATOM 0 H ALA A 71 19.273 16.864 -5.654 1.00 0.00 H new ATOM 0 HA ALA A 71 21.004 17.446 -3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 71 22.670 16.180 -4.943 1.00 0.00 H new ATOM 0 HB2 ALA A 71 21.074 15.393 -4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 71 21.613 16.324 -6.367 1.00 0.00 H new ATOM 1022 N ALA A 72 21.672 19.204 -6.309 1.00 0.00 N ATOM 1023 CA ALA A 72 22.444 20.333 -6.814 1.00 0.00 C ATOM 1024 C ALA A 72 22.155 21.597 -6.009 1.00 0.00 C ATOM 1025 O ALA A 72 23.067 22.346 -5.658 1.00 0.00 O ATOM 1026 CB ALA A 72 22.144 20.560 -8.288 1.00 0.00 C ATOM 0 H ALA A 72 20.996 18.825 -6.972 1.00 0.00 H new ATOM 0 HA ALA A 72 23.503 20.098 -6.704 1.00 0.00 H new ATOM 0 HB1 ALA A 72 22.727 21.406 -8.652 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.408 19.667 -8.855 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.082 20.770 -8.415 1.00 0.00 H new ATOM 1032 N GLU A 73 20.882 21.812 -5.703 1.00 0.00 N ATOM 1033 CA GLU A 73 20.465 22.981 -4.938 1.00 0.00 C ATOM 1034 C GLU A 73 20.999 22.907 -3.505 1.00 0.00 C ATOM 1035 O GLU A 73 21.351 23.927 -2.907 1.00 0.00 O ATOM 1036 CB GLU A 73 18.938 23.090 -4.927 1.00 0.00 C ATOM 1037 CG GLU A 73 18.313 23.146 -6.317 1.00 0.00 C ATOM 1038 CD GLU A 73 18.626 24.429 -7.065 1.00 0.00 C ATOM 1039 OE1 GLU A 73 19.809 24.673 -7.377 1.00 0.00 O ATOM 1040 OE2 GLU A 73 17.684 25.202 -7.353 1.00 0.00 O ATOM 0 H GLU A 73 20.119 21.191 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 73 20.879 23.869 -5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.526 22.236 -4.388 1.00 0.00 H new ATOM 0 HB3 GLU A 73 18.651 23.984 -4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 73 18.668 22.297 -6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 73 17.232 23.041 -6.226 1.00 0.00 H new ATOM 1047 N VAL A 74 21.060 21.694 -2.958 1.00 0.00 N ATOM 1048 CA VAL A 74 21.588 21.483 -1.613 1.00 0.00 C ATOM 1049 C VAL A 74 23.112 21.613 -1.599 1.00 0.00 C ATOM 1050 O VAL A 74 23.689 22.169 -0.664 1.00 0.00 O ATOM 1051 CB VAL A 74 21.189 20.096 -1.054 1.00 0.00 C ATOM 1052 CG1 VAL A 74 21.749 19.892 0.347 1.00 0.00 C ATOM 1053 CG2 VAL A 74 19.678 19.935 -1.048 1.00 0.00 C ATOM 0 H VAL A 74 20.750 20.843 -3.426 1.00 0.00 H new ATOM 0 HA VAL A 74 21.152 22.253 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 74 21.617 19.335 -1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 74 21.454 18.910 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 74 22.837 19.957 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 74 21.357 20.662 1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 74 19.418 18.953 -0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 74 19.232 20.709 -0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.298 20.027 -2.066 1.00 0.00 H new ATOM 1063 N ALA A 75 23.756 21.118 -2.652 1.00 0.00 N ATOM 1064 CA ALA A 75 25.215 21.123 -2.741 1.00 0.00 C ATOM 1065 C ALA A 75 25.778 22.533 -2.618 1.00 0.00 C ATOM 1066 O ALA A 75 26.887 22.719 -2.121 1.00 0.00 O ATOM 1067 CB ALA A 75 25.674 20.486 -4.042 1.00 0.00 C ATOM 0 H ALA A 75 23.289 20.706 -3.460 1.00 0.00 H new ATOM 0 HA ALA A 75 25.596 20.535 -1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 75 26.763 20.499 -4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.321 19.456 -4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.267 21.046 -4.884 1.00 0.00 H new ATOM 1073 N GLU A 76 25.003 23.517 -3.062 1.00 0.00 N ATOM 1074 CA GLU A 76 25.394 24.923 -2.974 1.00 0.00 C ATOM 1075 C GLU A 76 25.772 25.306 -1.543 1.00 0.00 C ATOM 1076 O GLU A 76 26.889 25.766 -1.283 1.00 0.00 O ATOM 1077 CB GLU A 76 24.247 25.812 -3.450 1.00 0.00 C ATOM 1078 CG GLU A 76 23.892 25.628 -4.916 1.00 0.00 C ATOM 1079 CD GLU A 76 24.837 26.365 -5.840 1.00 0.00 C ATOM 1080 OE1 GLU A 76 26.054 26.089 -5.808 1.00 0.00 O ATOM 1081 OE2 GLU A 76 24.365 27.247 -6.590 1.00 0.00 O ATOM 0 H GLU A 76 24.090 23.366 -3.491 1.00 0.00 H new ATOM 0 HA GLU A 76 26.266 25.069 -3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.365 25.605 -2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.514 26.855 -3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 76 23.907 24.566 -5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 76 22.875 25.980 -5.087 1.00 0.00 H new ATOM 1088 N VAL A 77 24.844 25.100 -0.613 1.00 0.00 N ATOM 1089 CA VAL A 77 25.062 25.488 0.776 1.00 0.00 C ATOM 1090 C VAL A 77 26.099 24.585 1.438 1.00 0.00 C ATOM 1091 O VAL A 77 26.855 25.025 2.305 1.00 0.00 O ATOM 1092 CB VAL A 77 23.752 25.479 1.600 1.00 0.00 C ATOM 1093 CG1 VAL A 77 22.742 26.437 0.995 1.00 0.00 C ATOM 1094 CG2 VAL A 77 23.157 24.082 1.699 1.00 0.00 C ATOM 0 H VAL A 77 23.938 24.669 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 77 25.437 26.511 0.760 1.00 0.00 H new ATOM 0 HB VAL A 77 23.997 25.807 2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 77 21.826 26.420 1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 77 23.154 27.446 0.993 1.00 0.00 H new ATOM 0 HG13 VAL A 77 22.520 26.134 -0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 77 22.239 24.118 2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 77 22.935 23.709 0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.871 23.416 2.184 1.00 0.00 H new ATOM 1104 N VAL A 78 26.152 23.332 1.001 1.00 0.00 N ATOM 1105 CA VAL A 78 27.094 22.368 1.553 1.00 0.00 C ATOM 1106 C VAL A 78 28.523 22.703 1.124 1.00 0.00 C ATOM 1107 O VAL A 78 29.461 22.586 1.912 1.00 0.00 O ATOM 1108 CB VAL A 78 26.738 20.927 1.121 1.00 0.00 C ATOM 1109 CG1 VAL A 78 27.710 19.924 1.716 1.00 0.00 C ATOM 1110 CG2 VAL A 78 25.315 20.583 1.530 1.00 0.00 C ATOM 0 H VAL A 78 25.552 22.960 0.265 1.00 0.00 H new ATOM 0 HA VAL A 78 27.028 22.427 2.639 1.00 0.00 H new ATOM 0 HB VAL A 78 26.814 20.875 0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.437 18.919 1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 78 28.720 20.151 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 78 27.672 19.982 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.083 19.565 1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.219 20.661 2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.622 21.276 1.053 1.00 0.00 H new ATOM 1120 N ALA A 79 28.672 23.161 -0.116 1.00 0.00 N ATOM 1121 CA ALA A 79 29.979 23.529 -0.662 1.00 0.00 C ATOM 1122 C ALA A 79 30.526 24.789 0.001 1.00 0.00 C ATOM 1123 O ALA A 79 31.669 25.178 -0.227 1.00 0.00 O ATOM 1124 CB ALA A 79 29.878 23.732 -2.167 1.00 0.00 C ATOM 0 H ALA A 79 27.898 23.288 -0.768 1.00 0.00 H new ATOM 0 HA ALA A 79 30.671 22.713 -0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 79 30.856 24.006 -2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.541 22.808 -2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 79 29.165 24.528 -2.380 1.00 0.00 H new ATOM 1130 N THR A 80 29.702 25.424 0.820 1.00 0.00 N ATOM 1131 CA THR A 80 30.102 26.636 1.515 1.00 0.00 C ATOM 1132 C THR A 80 30.630 26.296 2.918 1.00 0.00 C ATOM 1133 O THR A 80 30.926 27.177 3.725 1.00 0.00 O ATOM 1134 CB THR A 80 28.909 27.616 1.609 1.00 0.00 C ATOM 1135 OG1 THR A 80 28.277 27.726 0.322 1.00 0.00 O ATOM 1136 CG2 THR A 80 29.355 29.001 2.064 1.00 0.00 C ATOM 0 H THR A 80 28.750 25.118 1.020 1.00 0.00 H new ATOM 0 HA THR A 80 30.902 27.116 0.951 1.00 0.00 H new ATOM 0 HB THR A 80 28.209 27.222 2.346 1.00 0.00 H new ATOM 0 HG1 THR A 80 27.818 26.887 0.110 1.00 0.00 H new ATOM 0 HG21 THR A 80 28.490 29.662 2.118 1.00 0.00 H new ATOM 0 HG22 THR A 80 29.819 28.929 3.048 1.00 0.00 H new ATOM 0 HG23 THR A 80 30.075 29.404 1.352 1.00 0.00 H new ATOM 1144 N SER A 81 30.767 25.007 3.192 1.00 0.00 N ATOM 1145 CA SER A 81 31.240 24.555 4.490 1.00 0.00 C ATOM 1146 C SER A 81 32.739 24.271 4.450 1.00 0.00 C ATOM 1147 O SER A 81 33.211 23.530 3.587 1.00 0.00 O ATOM 1148 CB SER A 81 30.485 23.292 4.906 1.00 0.00 C ATOM 1149 OG SER A 81 29.087 23.461 4.751 1.00 0.00 O ATOM 0 H SER A 81 30.557 24.257 2.533 1.00 0.00 H new ATOM 0 HA SER A 81 31.056 25.344 5.219 1.00 0.00 H new ATOM 0 HB2 SER A 81 30.822 22.448 4.304 1.00 0.00 H new ATOM 0 HB3 SER A 81 30.713 23.053 5.945 1.00 0.00 H new ATOM 0 HG SER A 81 28.830 23.237 3.832 1.00 0.00 H new ATOM 1155 N PRO A 82 33.512 24.877 5.368 1.00 0.00 N ATOM 1156 CA PRO A 82 34.941 24.579 5.516 1.00 0.00 C ATOM 1157 C PRO A 82 35.176 23.093 5.794 1.00 0.00 C ATOM 1158 O PRO A 82 34.331 22.444 6.401 1.00 0.00 O ATOM 1159 CB PRO A 82 35.364 25.423 6.723 1.00 0.00 C ATOM 1160 CG PRO A 82 34.353 26.515 6.801 1.00 0.00 C ATOM 1161 CD PRO A 82 33.063 25.918 6.312 1.00 0.00 C ATOM 0 HA PRO A 82 35.507 24.805 4.612 1.00 0.00 H new ATOM 0 HB2 PRO A 82 35.375 24.828 7.637 1.00 0.00 H new ATOM 0 HB3 PRO A 82 36.369 25.824 6.592 1.00 0.00 H new ATOM 0 HG2 PRO A 82 34.251 26.881 7.823 1.00 0.00 H new ATOM 0 HG3 PRO A 82 34.648 27.365 6.186 1.00 0.00 H new ATOM 0 HD2 PRO A 82 32.479 25.496 7.130 1.00 0.00 H new ATOM 0 HD3 PRO A 82 32.435 26.662 5.822 1.00 0.00 H new ATOM 1169 N PRO A 83 36.334 22.549 5.368 1.00 0.00 N ATOM 1170 CA PRO A 83 36.644 21.110 5.467 1.00 0.00 C ATOM 1171 C PRO A 83 36.261 20.480 6.808 1.00 0.00 C ATOM 1172 O PRO A 83 35.599 19.445 6.849 1.00 0.00 O ATOM 1173 CB PRO A 83 38.159 21.075 5.279 1.00 0.00 C ATOM 1174 CG PRO A 83 38.452 22.236 4.395 1.00 0.00 C ATOM 1175 CD PRO A 83 37.443 23.300 4.741 1.00 0.00 C ATOM 0 HA PRO A 83 36.077 20.534 4.736 1.00 0.00 H new ATOM 0 HB2 PRO A 83 38.679 21.161 6.233 1.00 0.00 H new ATOM 0 HB3 PRO A 83 38.481 20.138 4.824 1.00 0.00 H new ATOM 0 HG2 PRO A 83 39.468 22.598 4.553 1.00 0.00 H new ATOM 0 HG3 PRO A 83 38.374 21.954 3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 83 37.861 24.040 5.424 1.00 0.00 H new ATOM 0 HD3 PRO A 83 37.110 23.838 3.854 1.00 0.00 H new ATOM 1183 N GLN A 84 36.668 21.116 7.898 1.00 0.00 N ATOM 1184 CA GLN A 84 36.412 20.590 9.237 1.00 0.00 C ATOM 1185 C GLN A 84 34.919 20.609 9.570 1.00 0.00 C ATOM 1186 O GLN A 84 34.384 19.653 10.129 1.00 0.00 O ATOM 1187 CB GLN A 84 37.198 21.394 10.274 1.00 0.00 C ATOM 1188 CG GLN A 84 38.707 21.311 10.090 1.00 0.00 C ATOM 1189 CD GLN A 84 39.469 22.123 11.117 1.00 0.00 C ATOM 1190 OE1 GLN A 84 39.017 22.306 12.246 1.00 0.00 O ATOM 1191 NE2 GLN A 84 40.638 22.613 10.736 1.00 0.00 N ATOM 0 H GLN A 84 37.178 21.999 7.884 1.00 0.00 H new ATOM 0 HA GLN A 84 36.744 19.552 9.261 1.00 0.00 H new ATOM 0 HB2 GLN A 84 36.890 22.438 10.222 1.00 0.00 H new ATOM 0 HB3 GLN A 84 36.941 21.036 11.271 1.00 0.00 H new ATOM 0 HG2 GLN A 84 39.019 20.269 10.153 1.00 0.00 H new ATOM 0 HG3 GLN A 84 38.966 21.662 9.091 1.00 0.00 H new ATOM 0 HE21 GLN A 84 40.980 22.440 9.791 1.00 0.00 H new ATOM 0 HE22 GLN A 84 41.197 23.164 11.388 1.00 0.00 H new ATOM 1200 N SER A 85 34.246 21.692 9.204 1.00 0.00 N ATOM 1201 CA SER A 85 32.833 21.862 9.517 1.00 0.00 C ATOM 1202 C SER A 85 31.953 21.060 8.555 1.00 0.00 C ATOM 1203 O SER A 85 30.811 20.723 8.874 1.00 0.00 O ATOM 1204 CB SER A 85 32.475 23.347 9.445 1.00 0.00 C ATOM 1205 OG SER A 85 33.383 24.121 10.213 1.00 0.00 O ATOM 0 H SER A 85 34.658 22.469 8.688 1.00 0.00 H new ATOM 0 HA SER A 85 32.651 21.488 10.525 1.00 0.00 H new ATOM 0 HB2 SER A 85 32.493 23.680 8.407 1.00 0.00 H new ATOM 0 HB3 SER A 85 31.460 23.499 9.811 1.00 0.00 H new ATOM 0 HG SER A 85 33.138 25.068 10.153 1.00 0.00 H new ATOM 1211 N TYR A 86 32.509 20.744 7.389 1.00 0.00 N ATOM 1212 CA TYR A 86 31.790 20.039 6.332 1.00 0.00 C ATOM 1213 C TYR A 86 31.197 18.728 6.842 1.00 0.00 C ATOM 1214 O TYR A 86 30.034 18.421 6.576 1.00 0.00 O ATOM 1215 CB TYR A 86 32.734 19.765 5.153 1.00 0.00 C ATOM 1216 CG TYR A 86 32.060 19.132 3.955 1.00 0.00 C ATOM 1217 CD1 TYR A 86 31.827 17.765 3.909 1.00 0.00 C ATOM 1218 CD2 TYR A 86 31.662 19.903 2.870 1.00 0.00 C ATOM 1219 CE1 TYR A 86 31.211 17.182 2.821 1.00 0.00 C ATOM 1220 CE2 TYR A 86 31.045 19.326 1.775 1.00 0.00 C ATOM 1221 CZ TYR A 86 30.823 17.966 1.756 1.00 0.00 C ATOM 1222 OH TYR A 86 30.197 17.386 0.676 1.00 0.00 O ATOM 0 H TYR A 86 33.474 20.970 7.150 1.00 0.00 H new ATOM 0 HA TYR A 86 30.968 20.673 6.000 1.00 0.00 H new ATOM 0 HB2 TYR A 86 33.193 20.704 4.844 1.00 0.00 H new ATOM 0 HB3 TYR A 86 33.539 19.112 5.490 1.00 0.00 H new ATOM 0 HD1 TYR A 86 32.133 17.146 4.740 1.00 0.00 H new ATOM 0 HD2 TYR A 86 31.837 20.969 2.882 1.00 0.00 H new ATOM 0 HE1 TYR A 86 31.034 16.117 2.804 1.00 0.00 H new ATOM 0 HE2 TYR A 86 30.739 19.938 0.939 1.00 0.00 H new ATOM 0 HH TYR A 86 30.060 18.059 -0.023 1.00 0.00 H new ATOM 1232 N SER A 87 31.998 17.971 7.582 1.00 0.00 N ATOM 1233 CA SER A 87 31.574 16.676 8.099 1.00 0.00 C ATOM 1234 C SER A 87 30.317 16.811 8.955 1.00 0.00 C ATOM 1235 O SER A 87 29.395 16.002 8.856 1.00 0.00 O ATOM 1236 CB SER A 87 32.703 16.049 8.917 1.00 0.00 C ATOM 1237 OG SER A 87 33.913 16.016 8.174 1.00 0.00 O ATOM 0 H SER A 87 32.950 18.234 7.838 1.00 0.00 H new ATOM 0 HA SER A 87 31.339 16.029 7.254 1.00 0.00 H new ATOM 0 HB2 SER A 87 32.851 16.618 9.835 1.00 0.00 H new ATOM 0 HB3 SER A 87 32.425 15.037 9.211 1.00 0.00 H new ATOM 0 HG SER A 87 34.621 15.612 8.719 1.00 0.00 H new ATOM 1243 N ALA A 88 30.271 17.861 9.764 1.00 0.00 N ATOM 1244 CA ALA A 88 29.148 18.083 10.665 1.00 0.00 C ATOM 1245 C ALA A 88 27.897 18.451 9.876 1.00 0.00 C ATOM 1246 O ALA A 88 26.785 18.047 10.215 1.00 0.00 O ATOM 1247 CB ALA A 88 29.484 19.174 11.670 1.00 0.00 C ATOM 0 H ALA A 88 30.999 18.573 9.815 1.00 0.00 H new ATOM 0 HA ALA A 88 28.952 17.159 11.210 1.00 0.00 H new ATOM 0 HB1 ALA A 88 28.635 19.329 12.336 1.00 0.00 H new ATOM 0 HB2 ALA A 88 30.354 18.875 12.254 1.00 0.00 H new ATOM 0 HB3 ALA A 88 29.703 20.101 11.141 1.00 0.00 H new ATOM 1253 N VAL A 89 28.104 19.200 8.804 1.00 0.00 N ATOM 1254 CA VAL A 89 27.018 19.626 7.938 1.00 0.00 C ATOM 1255 C VAL A 89 26.446 18.437 7.176 1.00 0.00 C ATOM 1256 O VAL A 89 25.234 18.205 7.178 1.00 0.00 O ATOM 1257 CB VAL A 89 27.504 20.696 6.935 1.00 0.00 C ATOM 1258 CG1 VAL A 89 26.413 21.048 5.934 1.00 0.00 C ATOM 1259 CG2 VAL A 89 27.973 21.941 7.674 1.00 0.00 C ATOM 0 H VAL A 89 29.025 19.528 8.512 1.00 0.00 H new ATOM 0 HA VAL A 89 26.239 20.058 8.566 1.00 0.00 H new ATOM 0 HB VAL A 89 28.345 20.281 6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 89 26.785 21.803 5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 89 26.127 20.155 5.378 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.545 21.438 6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 89 28.312 22.685 6.954 1.00 0.00 H new ATOM 0 HG22 VAL A 89 27.148 22.350 8.257 1.00 0.00 H new ATOM 0 HG23 VAL A 89 28.795 21.680 8.341 1.00 0.00 H new ATOM 1269 N LEU A 90 27.334 17.672 6.555 1.00 0.00 N ATOM 1270 CA LEU A 90 26.941 16.550 5.724 1.00 0.00 C ATOM 1271 C LEU A 90 26.202 15.494 6.543 1.00 0.00 C ATOM 1272 O LEU A 90 25.166 14.982 6.110 1.00 0.00 O ATOM 1273 CB LEU A 90 28.186 15.955 5.065 1.00 0.00 C ATOM 1274 CG LEU A 90 27.992 15.389 3.655 1.00 0.00 C ATOM 1275 CD1 LEU A 90 27.125 14.143 3.677 1.00 0.00 C ATOM 1276 CD2 LEU A 90 27.387 16.438 2.732 1.00 0.00 C ATOM 0 H LEU A 90 28.342 17.814 6.615 1.00 0.00 H new ATOM 0 HA LEU A 90 26.256 16.900 4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.955 16.727 5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 90 28.567 15.160 5.705 1.00 0.00 H new ATOM 0 HG LEU A 90 28.974 15.112 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 90 27.006 13.765 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 90 27.599 13.381 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 90 26.147 14.388 4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 90 27.258 16.015 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 90 26.418 16.751 3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 90 28.051 17.300 2.677 1.00 0.00 H new ATOM 1288 N ASN A 91 26.724 15.180 7.727 1.00 0.00 N ATOM 1289 CA ASN A 91 26.088 14.197 8.607 1.00 0.00 C ATOM 1290 C ASN A 91 24.673 14.630 8.961 1.00 0.00 C ATOM 1291 O ASN A 91 23.751 13.815 8.977 1.00 0.00 O ATOM 1292 CB ASN A 91 26.897 13.989 9.894 1.00 0.00 C ATOM 1293 CG ASN A 91 28.187 13.224 9.666 1.00 0.00 C ATOM 1294 OD1 ASN A 91 28.292 12.412 8.748 1.00 0.00 O ATOM 1295 ND2 ASN A 91 29.179 13.471 10.512 1.00 0.00 N ATOM 0 H ASN A 91 27.581 15.589 8.099 1.00 0.00 H new ATOM 0 HA ASN A 91 26.052 13.252 8.065 1.00 0.00 H new ATOM 0 HB2 ASN A 91 27.129 14.960 10.331 1.00 0.00 H new ATOM 0 HB3 ASN A 91 26.285 13.451 10.618 1.00 0.00 H new ATOM 0 HD21 ASN A 91 30.068 12.980 10.413 1.00 0.00 H new ATOM 0 HD22 ASN A 91 29.053 14.152 11.261 1.00 0.00 H new ATOM 1302 N THR A 92 24.506 15.919 9.228 1.00 0.00 N ATOM 1303 CA THR A 92 23.201 16.472 9.554 1.00 0.00 C ATOM 1304 C THR A 92 22.232 16.295 8.383 1.00 0.00 C ATOM 1305 O THR A 92 21.116 15.799 8.559 1.00 0.00 O ATOM 1306 CB THR A 92 23.311 17.967 9.920 1.00 0.00 C ATOM 1307 OG1 THR A 92 24.212 18.133 11.023 1.00 0.00 O ATOM 1308 CG2 THR A 92 21.951 18.545 10.285 1.00 0.00 C ATOM 0 H THR A 92 25.263 16.603 9.225 1.00 0.00 H new ATOM 0 HA THR A 92 22.816 15.929 10.417 1.00 0.00 H new ATOM 0 HB THR A 92 23.691 18.501 9.049 1.00 0.00 H new ATOM 0 HG1 THR A 92 25.133 18.176 10.690 1.00 0.00 H new ATOM 0 HG21 THR A 92 22.060 19.600 10.538 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.273 18.443 9.437 1.00 0.00 H new ATOM 0 HG23 THR A 92 21.545 18.006 11.141 1.00 0.00 H new ATOM 1316 N ILE A 93 22.677 16.688 7.190 1.00 0.00 N ATOM 1317 CA ILE A 93 21.870 16.549 5.981 1.00 0.00 C ATOM 1318 C ILE A 93 21.454 15.097 5.765 1.00 0.00 C ATOM 1319 O ILE A 93 20.275 14.805 5.566 1.00 0.00 O ATOM 1320 CB ILE A 93 22.631 17.054 4.731 1.00 0.00 C ATOM 1321 CG1 ILE A 93 23.040 18.521 4.903 1.00 0.00 C ATOM 1322 CG2 ILE A 93 21.784 16.882 3.474 1.00 0.00 C ATOM 1323 CD1 ILE A 93 21.874 19.465 5.114 1.00 0.00 C ATOM 0 H ILE A 93 23.595 17.106 7.036 1.00 0.00 H new ATOM 0 HA ILE A 93 20.979 17.161 6.121 1.00 0.00 H new ATOM 0 HB ILE A 93 23.534 16.454 4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 93 23.718 18.601 5.753 1.00 0.00 H new ATOM 0 HG13 ILE A 93 23.596 18.838 4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.339 17.244 2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.546 15.827 3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 93 20.861 17.452 3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 93 22.246 20.483 5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 93 21.206 19.416 4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 93 21.330 19.176 6.013 1.00 0.00 H new ATOM 1335 N GLY A 94 22.424 14.193 5.834 1.00 0.00 N ATOM 1336 CA GLY A 94 22.157 12.787 5.579 1.00 0.00 C ATOM 1337 C GLY A 94 21.199 12.171 6.578 1.00 0.00 C ATOM 1338 O GLY A 94 20.300 11.412 6.205 1.00 0.00 O ATOM 0 H GLY A 94 23.394 14.408 6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 94 21.745 12.678 4.576 1.00 0.00 H new ATOM 0 HA3 GLY A 94 23.097 12.236 5.599 1.00 0.00 H new ATOM 1342 N ALA A 95 21.383 12.506 7.842 1.00 0.00 N ATOM 1343 CA ALA A 95 20.566 11.953 8.915 1.00 0.00 C ATOM 1344 C ALA A 95 19.124 12.421 8.797 1.00 0.00 C ATOM 1345 O ALA A 95 18.193 11.617 8.872 1.00 0.00 O ATOM 1346 CB ALA A 95 21.138 12.330 10.275 1.00 0.00 C ATOM 0 H ALA A 95 22.097 13.164 8.156 1.00 0.00 H new ATOM 0 HA ALA A 95 20.580 10.867 8.823 1.00 0.00 H new ATOM 0 HB1 ALA A 95 20.514 11.908 11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 95 22.151 11.937 10.365 1.00 0.00 H new ATOM 0 HB3 ALA A 95 21.160 13.415 10.372 1.00 0.00 H new ATOM 1352 N CYS A 96 18.943 13.720 8.589 1.00 0.00 N ATOM 1353 CA CYS A 96 17.610 14.290 8.471 1.00 0.00 C ATOM 1354 C CYS A 96 16.919 13.786 7.211 1.00 0.00 C ATOM 1355 O CYS A 96 15.744 13.436 7.244 1.00 0.00 O ATOM 1356 CB CYS A 96 17.673 15.819 8.468 1.00 0.00 C ATOM 1357 SG CYS A 96 18.397 16.539 9.982 1.00 0.00 S ATOM 0 H CYS A 96 19.702 14.396 8.499 1.00 0.00 H new ATOM 0 HA CYS A 96 17.028 13.971 9.335 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.257 16.146 7.608 1.00 0.00 H new ATOM 0 HB3 CYS A 96 16.665 16.213 8.337 1.00 0.00 H new ATOM 1362 N LEU A 97 17.666 13.711 6.110 1.00 0.00 N ATOM 1363 CA LEU A 97 17.112 13.281 4.827 1.00 0.00 C ATOM 1364 C LEU A 97 16.479 11.896 4.959 1.00 0.00 C ATOM 1365 O LEU A 97 15.414 11.633 4.396 1.00 0.00 O ATOM 1366 CB LEU A 97 18.220 13.275 3.756 1.00 0.00 C ATOM 1367 CG LEU A 97 17.765 13.351 2.284 1.00 0.00 C ATOM 1368 CD1 LEU A 97 17.150 12.043 1.818 1.00 0.00 C ATOM 1369 CD2 LEU A 97 16.788 14.499 2.080 1.00 0.00 C ATOM 0 H LEU A 97 18.659 13.943 6.081 1.00 0.00 H new ATOM 0 HA LEU A 97 16.335 13.981 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 97 18.885 14.117 3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 97 18.810 12.367 3.883 1.00 0.00 H new ATOM 0 HG LEU A 97 18.652 13.535 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 97 16.842 12.136 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 97 17.885 11.243 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 97 16.281 11.810 2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 97 16.480 14.534 1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 97 15.912 14.348 2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 97 17.270 15.439 2.348 1.00 0.00 H new ATOM 1381 N ARG A 98 17.129 11.020 5.721 1.00 0.00 N ATOM 1382 CA ARG A 98 16.615 9.671 5.936 1.00 0.00 C ATOM 1383 C ARG A 98 15.243 9.704 6.605 1.00 0.00 C ATOM 1384 O ARG A 98 14.258 9.195 6.062 1.00 0.00 O ATOM 1385 CB ARG A 98 17.572 8.855 6.802 1.00 0.00 C ATOM 1386 CG ARG A 98 18.918 8.571 6.160 1.00 0.00 C ATOM 1387 CD ARG A 98 19.763 7.693 7.062 1.00 0.00 C ATOM 1388 NE ARG A 98 21.066 7.377 6.477 1.00 0.00 N ATOM 1389 CZ ARG A 98 21.383 6.185 5.965 1.00 0.00 C ATOM 1390 NH1 ARG A 98 20.463 5.232 5.866 1.00 0.00 N ATOM 1391 NH2 ARG A 98 22.618 5.949 5.536 1.00 0.00 N ATOM 0 H ARG A 98 18.009 11.219 6.198 1.00 0.00 H new ATOM 0 HA ARG A 98 16.523 9.201 4.957 1.00 0.00 H new ATOM 0 HB2 ARG A 98 17.736 9.387 7.739 1.00 0.00 H new ATOM 0 HB3 ARG A 98 17.096 7.907 7.052 1.00 0.00 H new ATOM 0 HG2 ARG A 98 18.772 8.080 5.198 1.00 0.00 H new ATOM 0 HG3 ARG A 98 19.439 9.508 5.964 1.00 0.00 H new ATOM 0 HD2 ARG A 98 19.910 8.195 8.018 1.00 0.00 H new ATOM 0 HD3 ARG A 98 19.227 6.767 7.268 1.00 0.00 H new ATOM 0 HE ARG A 98 21.774 8.111 6.459 1.00 0.00 H new ATOM 0 HH11 ARG A 98 19.509 5.409 6.182 1.00 0.00 H new ATOM 0 HH12 ARG A 98 20.710 4.323 5.474 1.00 0.00 H new ATOM 0 HH21 ARG A 98 23.327 6.679 5.597 1.00 0.00 H new ATOM 0 HH22 ARG A 98 22.857 5.037 5.146 1.00 0.00 H new ATOM 1405 N GLU A 99 15.183 10.312 7.781 1.00 0.00 N ATOM 1406 CA GLU A 99 13.952 10.344 8.560 1.00 0.00 C ATOM 1407 C GLU A 99 12.866 11.136 7.848 1.00 0.00 C ATOM 1408 O GLU A 99 11.693 10.754 7.867 1.00 0.00 O ATOM 1409 CB GLU A 99 14.206 10.906 9.963 1.00 0.00 C ATOM 1410 CG GLU A 99 14.866 12.277 10.002 1.00 0.00 C ATOM 1411 CD GLU A 99 13.877 13.392 10.285 1.00 0.00 C ATOM 1412 OE1 GLU A 99 13.408 13.494 11.440 1.00 0.00 O ATOM 1413 OE2 GLU A 99 13.550 14.157 9.359 1.00 0.00 O ATOM 0 H GLU A 99 15.972 10.790 8.217 1.00 0.00 H new ATOM 0 HA GLU A 99 13.600 9.318 8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.255 10.963 10.492 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.833 10.203 10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 99 15.642 12.281 10.768 1.00 0.00 H new ATOM 0 HG3 GLU A 99 15.359 12.466 9.048 1.00 0.00 H new ATOM 1420 N SER A 100 13.256 12.227 7.212 1.00 0.00 N ATOM 1421 CA SER A 100 12.321 13.056 6.469 1.00 0.00 C ATOM 1422 C SER A 100 11.609 12.244 5.388 1.00 0.00 C ATOM 1423 O SER A 100 10.392 12.357 5.217 1.00 0.00 O ATOM 1424 CB SER A 100 13.053 14.238 5.838 1.00 0.00 C ATOM 1425 OG SER A 100 13.601 15.091 6.828 1.00 0.00 O ATOM 0 H SER A 100 14.219 12.561 7.195 1.00 0.00 H new ATOM 0 HA SER A 100 11.571 13.430 7.166 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.849 13.872 5.189 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.364 14.802 5.210 1.00 0.00 H new ATOM 0 HG SER A 100 13.405 14.729 7.717 1.00 0.00 H new ATOM 1431 N MET A 101 12.374 11.413 4.685 1.00 0.00 N ATOM 1432 CA MET A 101 11.839 10.587 3.604 1.00 0.00 C ATOM 1433 C MET A 101 10.763 9.635 4.108 1.00 0.00 C ATOM 1434 O MET A 101 9.712 9.478 3.483 1.00 0.00 O ATOM 1435 CB MET A 101 12.960 9.786 2.937 1.00 0.00 C ATOM 1436 CG MET A 101 13.615 10.503 1.767 1.00 0.00 C ATOM 1437 SD MET A 101 12.528 10.618 0.333 1.00 0.00 S ATOM 1438 CE MET A 101 12.295 8.886 -0.067 1.00 0.00 C ATOM 0 H MET A 101 13.374 11.293 4.846 1.00 0.00 H new ATOM 0 HA MET A 101 11.388 11.259 2.873 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.722 9.555 3.682 1.00 0.00 H new ATOM 0 HB3 MET A 101 12.557 8.835 2.588 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.909 11.506 2.078 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.527 9.976 1.486 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.098 8.782 -1.134 1.00 0.00 H new ATOM 0 HE2 MET A 101 13.195 8.328 0.192 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.450 8.493 0.498 1.00 0.00 H new ATOM 1448 N MET A 102 11.011 9.014 5.250 1.00 0.00 N ATOM 1449 CA MET A 102 10.105 7.997 5.755 1.00 0.00 C ATOM 1450 C MET A 102 8.934 8.616 6.503 1.00 0.00 C ATOM 1451 O MET A 102 7.862 8.019 6.600 1.00 0.00 O ATOM 1452 CB MET A 102 10.863 6.987 6.630 1.00 0.00 C ATOM 1453 CG MET A 102 11.402 7.534 7.948 1.00 0.00 C ATOM 1454 SD MET A 102 10.136 7.662 9.228 1.00 0.00 S ATOM 1455 CE MET A 102 9.419 6.024 9.126 1.00 0.00 C ATOM 0 H MET A 102 11.824 9.194 5.839 1.00 0.00 H new ATOM 0 HA MET A 102 9.690 7.460 4.902 1.00 0.00 H new ATOM 0 HB2 MET A 102 10.198 6.151 6.848 1.00 0.00 H new ATOM 0 HB3 MET A 102 11.698 6.588 6.054 1.00 0.00 H new ATOM 0 HG2 MET A 102 12.205 6.888 8.302 1.00 0.00 H new ATOM 0 HG3 MET A 102 11.838 8.518 7.776 1.00 0.00 H new ATOM 0 HE1 MET A 102 9.023 5.739 10.101 1.00 0.00 H new ATOM 0 HE2 MET A 102 8.612 6.025 8.393 1.00 0.00 H new ATOM 0 HE3 MET A 102 10.184 5.310 8.822 1.00 0.00 H new ATOM 1465 N GLN A 103 9.135 9.819 7.016 1.00 0.00 N ATOM 1466 CA GLN A 103 8.068 10.550 7.690 1.00 0.00 C ATOM 1467 C GLN A 103 7.119 11.183 6.686 1.00 0.00 C ATOM 1468 O GLN A 103 6.122 11.800 7.063 1.00 0.00 O ATOM 1469 CB GLN A 103 8.651 11.620 8.604 1.00 0.00 C ATOM 1470 CG GLN A 103 8.795 11.163 10.046 1.00 0.00 C ATOM 1471 CD GLN A 103 9.804 11.980 10.828 1.00 0.00 C ATOM 1472 OE1 GLN A 103 10.889 12.353 10.176 1.00 0.00 O flip ATOM 1473 NE2 GLN A 103 9.635 12.227 12.022 1.00 0.00 N flip ATOM 0 H GLN A 103 10.027 10.312 6.980 1.00 0.00 H new ATOM 0 HA GLN A 103 7.504 9.838 8.292 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.628 11.919 8.225 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.013 12.503 8.572 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.825 11.225 10.539 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.094 10.115 10.061 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.782 11.921 12.490 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.348 12.737 12.543 1.00 0.00 H new ATOM 1482 N ALA A 104 7.442 11.040 5.411 1.00 0.00 N ATOM 1483 CA ALA A 104 6.580 11.524 4.354 1.00 0.00 C ATOM 1484 C ALA A 104 5.446 10.545 4.093 1.00 0.00 C ATOM 1485 O ALA A 104 4.353 10.687 4.641 1.00 0.00 O ATOM 1486 CB ALA A 104 7.379 11.751 3.078 1.00 0.00 C ATOM 0 H ALA A 104 8.298 10.591 5.086 1.00 0.00 H new ATOM 0 HA ALA A 104 6.151 12.474 4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.716 12.115 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.160 12.488 3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.834 10.812 2.762 1.00 0.00 H new ATOM 1492 N THR A 105 5.744 9.535 3.283 1.00 0.00 N ATOM 1493 CA THR A 105 4.762 8.572 2.814 1.00 0.00 C ATOM 1494 C THR A 105 5.367 7.773 1.657 1.00 0.00 C ATOM 1495 O THR A 105 5.368 8.184 0.496 1.00 0.00 O ATOM 1496 CB THR A 105 3.447 9.249 2.369 1.00 0.00 C ATOM 1497 OG1 THR A 105 2.523 8.277 1.857 1.00 0.00 O ATOM 1498 CG2 THR A 105 3.732 10.303 1.324 1.00 0.00 C ATOM 0 H THR A 105 6.686 9.363 2.931 1.00 0.00 H new ATOM 0 HA THR A 105 4.510 7.908 3.641 1.00 0.00 H new ATOM 0 HB THR A 105 2.994 9.727 3.238 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.696 8.725 1.582 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.798 10.774 1.018 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.399 11.058 1.741 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.205 9.839 0.459 1.00 0.00 H new ATOM 1506 N GLY A 106 5.944 6.657 2.001 1.00 0.00 N ATOM 1507 CA GLY A 106 6.626 5.842 1.024 1.00 0.00 C ATOM 1508 C GLY A 106 7.854 5.234 1.632 1.00 0.00 C ATOM 1509 O GLY A 106 8.488 4.364 1.041 1.00 0.00 O ATOM 0 H GLY A 106 5.958 6.286 2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 106 5.961 5.057 0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.899 6.448 0.160 1.00 0.00 H new ATOM 1513 N SER A 107 8.185 5.755 2.814 1.00 0.00 N ATOM 1514 CA SER A 107 9.269 5.258 3.664 1.00 0.00 C ATOM 1515 C SER A 107 10.628 5.673 3.115 1.00 0.00 C ATOM 1516 O SER A 107 10.747 6.140 1.981 1.00 0.00 O ATOM 1517 CB SER A 107 9.198 3.731 3.883 1.00 0.00 C ATOM 1518 OG SER A 107 9.688 3.001 2.775 1.00 0.00 O ATOM 0 H SER A 107 7.695 6.554 3.217 1.00 0.00 H new ATOM 0 HA SER A 107 9.139 5.720 4.643 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.773 3.467 4.771 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.165 3.443 4.076 1.00 0.00 H new ATOM 0 HG SER A 107 9.588 3.537 1.960 1.00 0.00 H new ATOM 1524 N VAL A 108 11.645 5.538 3.944 1.00 0.00 N ATOM 1525 CA VAL A 108 12.988 5.935 3.569 1.00 0.00 C ATOM 1526 C VAL A 108 13.628 4.908 2.633 1.00 0.00 C ATOM 1527 O VAL A 108 14.194 3.898 3.061 1.00 0.00 O ATOM 1528 CB VAL A 108 13.873 6.195 4.812 1.00 0.00 C ATOM 1529 CG1 VAL A 108 13.797 5.040 5.802 1.00 0.00 C ATOM 1530 CG2 VAL A 108 15.311 6.473 4.404 1.00 0.00 C ATOM 0 H VAL A 108 11.566 5.155 4.886 1.00 0.00 H new ATOM 0 HA VAL A 108 12.911 6.876 3.024 1.00 0.00 H new ATOM 0 HB VAL A 108 13.486 7.082 5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.430 5.256 6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.766 4.912 6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.140 4.124 5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 108 15.914 6.653 5.294 1.00 0.00 H new ATOM 0 HG22 VAL A 108 15.709 5.614 3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 108 15.343 7.352 3.761 1.00 0.00 H new ATOM 1540 N ASP A 109 13.479 5.170 1.344 1.00 0.00 N ATOM 1541 CA ASP A 109 14.060 4.330 0.299 1.00 0.00 C ATOM 1542 C ASP A 109 15.585 4.312 0.390 1.00 0.00 C ATOM 1543 O ASP A 109 16.210 5.296 0.793 1.00 0.00 O ATOM 1544 CB ASP A 109 13.617 4.816 -1.085 1.00 0.00 C ATOM 1545 CG ASP A 109 14.275 4.037 -2.204 1.00 0.00 C ATOM 1546 OD1 ASP A 109 13.920 2.861 -2.410 1.00 0.00 O ATOM 1547 OD2 ASP A 109 15.168 4.592 -2.870 1.00 0.00 O ATOM 0 H ASP A 109 12.953 5.969 0.989 1.00 0.00 H new ATOM 0 HA ASP A 109 13.700 3.312 0.448 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.534 4.726 -1.170 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.858 5.874 -1.191 1.00 0.00 H new ATOM 1552 N ASN A 110 16.175 3.189 0.002 1.00 0.00 N ATOM 1553 CA ASN A 110 17.609 2.971 0.170 1.00 0.00 C ATOM 1554 C ASN A 110 18.406 3.473 -1.033 1.00 0.00 C ATOM 1555 O ASN A 110 19.613 3.687 -0.935 1.00 0.00 O ATOM 1556 CB ASN A 110 17.892 1.480 0.408 1.00 0.00 C ATOM 1557 CG ASN A 110 17.441 0.598 -0.745 1.00 0.00 C ATOM 1558 OD1 ASN A 110 18.199 0.329 -1.674 1.00 0.00 O ATOM 1559 ND2 ASN A 110 16.204 0.124 -0.684 1.00 0.00 N ATOM 0 H ASN A 110 15.681 2.410 -0.434 1.00 0.00 H new ATOM 0 HA ASN A 110 17.930 3.544 1.040 1.00 0.00 H new ATOM 0 HB2 ASN A 110 18.961 1.340 0.569 1.00 0.00 H new ATOM 0 HB3 ASN A 110 17.388 1.161 1.321 1.00 0.00 H new ATOM 0 HD21 ASN A 110 15.854 -0.485 -1.424 1.00 0.00 H new ATOM 0 HD22 ASN A 110 15.602 0.368 0.103 1.00 0.00 H new ATOM 1566 N ALA A 111 17.735 3.679 -2.158 1.00 0.00 N ATOM 1567 CA ALA A 111 18.411 4.106 -3.376 1.00 0.00 C ATOM 1568 C ALA A 111 18.372 5.621 -3.517 1.00 0.00 C ATOM 1569 O ALA A 111 19.400 6.253 -3.740 1.00 0.00 O ATOM 1570 CB ALA A 111 17.783 3.442 -4.595 1.00 0.00 C ATOM 0 H ALA A 111 16.727 3.558 -2.253 1.00 0.00 H new ATOM 0 HA ALA A 111 19.454 3.798 -3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 111 18.300 3.772 -5.496 1.00 0.00 H new ATOM 0 HB2 ALA A 111 17.868 2.359 -4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.731 3.719 -4.659 1.00 0.00 H new ATOM 1576 N PHE A 112 17.183 6.195 -3.369 1.00 0.00 N ATOM 1577 CA PHE A 112 16.990 7.636 -3.493 1.00 0.00 C ATOM 1578 C PHE A 112 17.886 8.397 -2.520 1.00 0.00 C ATOM 1579 O PHE A 112 18.560 9.355 -2.904 1.00 0.00 O ATOM 1580 CB PHE A 112 15.522 7.993 -3.243 1.00 0.00 C ATOM 1581 CG PHE A 112 15.250 9.473 -3.254 1.00 0.00 C ATOM 1582 CD1 PHE A 112 15.090 10.152 -4.449 1.00 0.00 C ATOM 1583 CD2 PHE A 112 15.162 10.186 -2.066 1.00 0.00 C ATOM 1584 CE1 PHE A 112 14.849 11.512 -4.461 1.00 0.00 C ATOM 1585 CE2 PHE A 112 14.922 11.544 -2.074 1.00 0.00 C ATOM 1586 CZ PHE A 112 14.762 12.207 -3.273 1.00 0.00 C ATOM 0 H PHE A 112 16.329 5.678 -3.161 1.00 0.00 H new ATOM 0 HA PHE A 112 17.264 7.929 -4.507 1.00 0.00 H new ATOM 0 HB2 PHE A 112 14.906 7.513 -4.004 1.00 0.00 H new ATOM 0 HB3 PHE A 112 15.216 7.583 -2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.154 9.613 -5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.283 9.671 -1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.729 12.031 -5.400 1.00 0.00 H new ATOM 0 HE2 PHE A 112 14.859 12.088 -1.143 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.569 13.270 -3.281 1.00 0.00 H new ATOM 1596 N THR A 113 17.888 7.963 -1.266 1.00 0.00 N ATOM 1597 CA THR A 113 18.717 8.582 -0.244 1.00 0.00 C ATOM 1598 C THR A 113 20.191 8.492 -0.624 1.00 0.00 C ATOM 1599 O THR A 113 20.919 9.484 -0.588 1.00 0.00 O ATOM 1600 CB THR A 113 18.494 7.910 1.124 1.00 0.00 C ATOM 1601 OG1 THR A 113 18.586 6.485 0.985 1.00 0.00 O ATOM 1602 CG2 THR A 113 17.135 8.281 1.698 1.00 0.00 C ATOM 0 H THR A 113 17.322 7.182 -0.933 1.00 0.00 H new ATOM 0 HA THR A 113 18.430 9.631 -0.171 1.00 0.00 H new ATOM 0 HB THR A 113 19.265 8.263 1.809 1.00 0.00 H new ATOM 0 HG1 THR A 113 17.704 6.121 0.761 1.00 0.00 H new ATOM 0 HG21 THR A 113 17.003 7.794 2.664 1.00 0.00 H new ATOM 0 HG22 THR A 113 17.077 9.362 1.826 1.00 0.00 H new ATOM 0 HG23 THR A 113 16.350 7.954 1.016 1.00 0.00 H new ATOM 1610 N ASN A 114 20.606 7.291 -1.007 1.00 0.00 N ATOM 1611 CA ASN A 114 21.968 7.031 -1.457 1.00 0.00 C ATOM 1612 C ASN A 114 22.340 7.923 -2.637 1.00 0.00 C ATOM 1613 O ASN A 114 23.416 8.521 -2.659 1.00 0.00 O ATOM 1614 CB ASN A 114 22.093 5.551 -1.839 1.00 0.00 C ATOM 1615 CG ASN A 114 23.326 5.234 -2.660 1.00 0.00 C ATOM 1616 OD1 ASN A 114 24.413 5.014 -2.123 1.00 0.00 O ATOM 1617 ND2 ASN A 114 23.152 5.168 -3.971 1.00 0.00 N ATOM 0 H ASN A 114 20.005 6.467 -1.014 1.00 0.00 H new ATOM 0 HA ASN A 114 22.659 7.260 -0.646 1.00 0.00 H new ATOM 0 HB2 ASN A 114 22.109 4.951 -0.929 1.00 0.00 H new ATOM 0 HB3 ASN A 114 21.207 5.254 -2.401 1.00 0.00 H new ATOM 0 HD21 ASN A 114 23.936 4.927 -4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 114 22.234 5.358 -4.374 1.00 0.00 H new ATOM 1624 N GLU A 115 21.437 8.022 -3.605 1.00 0.00 N ATOM 1625 CA GLU A 115 21.668 8.802 -4.794 1.00 0.00 C ATOM 1626 C GLU A 115 21.849 10.281 -4.472 1.00 0.00 C ATOM 1627 O GLU A 115 22.846 10.884 -4.865 1.00 0.00 O ATOM 1628 CB GLU A 115 20.506 8.609 -5.759 1.00 0.00 C ATOM 1629 CG GLU A 115 20.522 7.274 -6.483 1.00 0.00 C ATOM 1630 CD GLU A 115 19.549 7.236 -7.643 1.00 0.00 C ATOM 1631 OE1 GLU A 115 18.349 6.980 -7.416 1.00 0.00 O ATOM 1632 OE2 GLU A 115 19.988 7.468 -8.790 1.00 0.00 O ATOM 0 H GLU A 115 20.528 7.561 -3.579 1.00 0.00 H new ATOM 0 HA GLU A 115 22.592 8.455 -5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 115 19.570 8.701 -5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 115 20.522 9.411 -6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 115 21.529 7.075 -6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 115 20.276 6.479 -5.779 1.00 0.00 H new ATOM 1639 N VAL A 116 20.900 10.862 -3.747 1.00 0.00 N ATOM 1640 CA VAL A 116 20.965 12.285 -3.442 1.00 0.00 C ATOM 1641 C VAL A 116 22.167 12.587 -2.546 1.00 0.00 C ATOM 1642 O VAL A 116 22.816 13.616 -2.702 1.00 0.00 O ATOM 1643 CB VAL A 116 19.654 12.814 -2.801 1.00 0.00 C ATOM 1644 CG1 VAL A 116 19.531 12.427 -1.339 1.00 0.00 C ATOM 1645 CG2 VAL A 116 19.542 14.320 -2.958 1.00 0.00 C ATOM 0 H VAL A 116 20.088 10.378 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 116 21.089 12.811 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 116 18.830 12.341 -3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 116 18.598 12.820 -0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 116 19.536 11.341 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 116 20.370 12.842 -0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 116 18.615 14.666 -2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 116 20.389 14.801 -2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 116 19.541 14.576 -4.017 1.00 0.00 H new ATOM 1655 N MET A 117 22.478 11.671 -1.633 1.00 0.00 N ATOM 1656 CA MET A 117 23.670 11.798 -0.799 1.00 0.00 C ATOM 1657 C MET A 117 24.920 11.838 -1.664 1.00 0.00 C ATOM 1658 O MET A 117 25.733 12.753 -1.549 1.00 0.00 O ATOM 1659 CB MET A 117 23.758 10.641 0.199 1.00 0.00 C ATOM 1660 CG MET A 117 22.937 10.837 1.471 1.00 0.00 C ATOM 1661 SD MET A 117 23.764 11.855 2.717 1.00 0.00 S ATOM 1662 CE MET A 117 23.574 13.513 2.058 1.00 0.00 C ATOM 0 H MET A 117 21.923 10.835 -1.452 1.00 0.00 H new ATOM 0 HA MET A 117 23.598 12.732 -0.241 1.00 0.00 H new ATOM 0 HB2 MET A 117 23.427 9.727 -0.294 1.00 0.00 H new ATOM 0 HB3 MET A 117 24.802 10.495 0.475 1.00 0.00 H new ATOM 0 HG2 MET A 117 21.984 11.298 1.211 1.00 0.00 H new ATOM 0 HG3 MET A 117 22.712 9.862 1.902 1.00 0.00 H new ATOM 0 HE1 MET A 117 23.530 14.228 2.879 1.00 0.00 H new ATOM 0 HE2 MET A 117 24.423 13.749 1.417 1.00 0.00 H new ATOM 0 HE3 MET A 117 22.654 13.570 1.477 1.00 0.00 H new ATOM 1672 N GLN A 118 25.052 10.849 -2.539 1.00 0.00 N ATOM 1673 CA GLN A 118 26.177 10.780 -3.464 1.00 0.00 C ATOM 1674 C GLN A 118 26.282 12.063 -4.280 1.00 0.00 C ATOM 1675 O GLN A 118 27.354 12.656 -4.387 1.00 0.00 O ATOM 1676 CB GLN A 118 26.004 9.577 -4.398 1.00 0.00 C ATOM 1677 CG GLN A 118 27.057 9.480 -5.491 1.00 0.00 C ATOM 1678 CD GLN A 118 26.791 8.336 -6.448 1.00 0.00 C ATOM 1679 OE1 GLN A 118 25.643 7.952 -6.676 1.00 0.00 O ATOM 1680 NE2 GLN A 118 27.848 7.782 -7.013 1.00 0.00 N ATOM 0 H GLN A 118 24.389 10.079 -2.628 1.00 0.00 H new ATOM 0 HA GLN A 118 27.096 10.663 -2.889 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.028 8.664 -3.804 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.019 9.630 -4.862 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.087 10.417 -6.048 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.039 9.349 -5.036 1.00 0.00 H new ATOM 0 HE21 GLN A 118 28.782 8.130 -6.798 1.00 0.00 H new ATOM 0 HE22 GLN A 118 27.730 7.006 -7.665 1.00 0.00 H new ATOM 1689 N LEU A 119 25.155 12.496 -4.823 1.00 0.00 N ATOM 1690 CA LEU A 119 25.114 13.666 -5.684 1.00 0.00 C ATOM 1691 C LEU A 119 25.442 14.953 -4.927 1.00 0.00 C ATOM 1692 O LEU A 119 26.255 15.743 -5.392 1.00 0.00 O ATOM 1693 CB LEU A 119 23.750 13.759 -6.360 1.00 0.00 C ATOM 1694 CG LEU A 119 23.538 12.754 -7.496 1.00 0.00 C ATOM 1695 CD1 LEU A 119 22.062 12.427 -7.659 1.00 0.00 C ATOM 1696 CD2 LEU A 119 24.102 13.306 -8.795 1.00 0.00 C ATOM 0 H LEU A 119 24.249 12.049 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 119 25.885 13.550 -6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 119 22.975 13.609 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 119 23.621 14.767 -6.754 1.00 0.00 H new ATOM 0 HG LEU A 119 24.066 11.834 -7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 119 21.935 11.711 -8.471 1.00 0.00 H new ATOM 0 HD12 LEU A 119 21.680 11.996 -6.733 1.00 0.00 H new ATOM 0 HD13 LEU A 119 21.511 13.339 -7.889 1.00 0.00 H new ATOM 0 HD21 LEU A 119 23.946 12.583 -9.596 1.00 0.00 H new ATOM 0 HD22 LEU A 119 23.596 14.239 -9.044 1.00 0.00 H new ATOM 0 HD23 LEU A 119 25.170 13.493 -8.678 1.00 0.00 H new ATOM 1708 N VAL A 120 24.830 15.159 -3.762 1.00 0.00 N ATOM 1709 CA VAL A 120 25.102 16.356 -2.960 1.00 0.00 C ATOM 1710 C VAL A 120 26.594 16.473 -2.654 1.00 0.00 C ATOM 1711 O VAL A 120 27.189 17.543 -2.787 1.00 0.00 O ATOM 1712 CB VAL A 120 24.313 16.359 -1.624 1.00 0.00 C ATOM 1713 CG1 VAL A 120 24.804 17.469 -0.703 1.00 0.00 C ATOM 1714 CG2 VAL A 120 22.824 16.522 -1.874 1.00 0.00 C ATOM 0 H VAL A 120 24.148 14.520 -3.353 1.00 0.00 H new ATOM 0 HA VAL A 120 24.775 17.209 -3.555 1.00 0.00 H new ATOM 0 HB VAL A 120 24.485 15.398 -1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 120 24.235 17.449 0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 120 25.861 17.319 -0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 120 24.668 18.434 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 120 22.293 16.521 -0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 120 22.643 17.465 -2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 120 22.466 15.697 -2.490 1.00 0.00 H new ATOM 1724 N LYS A 121 27.193 15.357 -2.269 1.00 0.00 N ATOM 1725 CA LYS A 121 28.599 15.329 -1.893 1.00 0.00 C ATOM 1726 C LYS A 121 29.496 15.506 -3.114 1.00 0.00 C ATOM 1727 O LYS A 121 30.443 16.294 -3.097 1.00 0.00 O ATOM 1728 CB LYS A 121 28.910 14.011 -1.185 1.00 0.00 C ATOM 1729 CG LYS A 121 28.051 13.782 0.049 1.00 0.00 C ATOM 1730 CD LYS A 121 28.218 12.378 0.609 1.00 0.00 C ATOM 1731 CE LYS A 121 29.573 12.202 1.275 1.00 0.00 C ATOM 1732 NZ LYS A 121 29.751 10.833 1.825 1.00 0.00 N ATOM 0 H LYS A 121 26.724 14.453 -2.208 1.00 0.00 H new ATOM 0 HA LYS A 121 28.798 16.158 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 121 28.761 13.187 -1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 121 29.961 13.999 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 121 28.315 14.511 0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 121 27.004 13.949 -0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 121 27.427 12.177 1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 121 28.109 11.649 -0.194 1.00 0.00 H new ATOM 0 HE2 LYS A 121 30.362 12.407 0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 121 29.680 12.932 2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 30.688 10.757 2.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 29.014 10.646 2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 29.675 10.137 1.056 1.00 0.00 H new ATOM 1746 N MET A 122 29.182 14.786 -4.179 1.00 0.00 N ATOM 1747 CA MET A 122 29.986 14.820 -5.394 1.00 0.00 C ATOM 1748 C MET A 122 29.872 16.167 -6.109 1.00 0.00 C ATOM 1749 O MET A 122 30.818 16.617 -6.754 1.00 0.00 O ATOM 1750 CB MET A 122 29.580 13.660 -6.315 1.00 0.00 C ATOM 1751 CG MET A 122 30.172 13.724 -7.715 1.00 0.00 C ATOM 1752 SD MET A 122 29.048 14.474 -8.911 1.00 0.00 S ATOM 1753 CE MET A 122 27.731 13.256 -8.956 1.00 0.00 C ATOM 0 H MET A 122 28.372 14.168 -4.228 1.00 0.00 H new ATOM 0 HA MET A 122 31.034 14.700 -5.119 1.00 0.00 H new ATOM 0 HB2 MET A 122 29.882 12.722 -5.850 1.00 0.00 H new ATOM 0 HB3 MET A 122 28.493 13.641 -6.395 1.00 0.00 H new ATOM 0 HG2 MET A 122 31.100 14.295 -7.687 1.00 0.00 H new ATOM 0 HG3 MET A 122 30.427 12.717 -8.044 1.00 0.00 H new ATOM 0 HE1 MET A 122 27.003 13.535 -9.718 1.00 0.00 H new ATOM 0 HE2 MET A 122 28.148 12.278 -9.194 1.00 0.00 H new ATOM 0 HE3 MET A 122 27.240 13.214 -7.983 1.00 0.00 H new ATOM 1763 N LEU A 123 28.726 16.821 -5.974 1.00 0.00 N ATOM 1764 CA LEU A 123 28.506 18.111 -6.619 1.00 0.00 C ATOM 1765 C LEU A 123 29.031 19.265 -5.767 1.00 0.00 C ATOM 1766 O LEU A 123 28.948 20.425 -6.174 1.00 0.00 O ATOM 1767 CB LEU A 123 27.016 18.322 -6.907 1.00 0.00 C ATOM 1768 CG LEU A 123 26.413 17.403 -7.972 1.00 0.00 C ATOM 1769 CD1 LEU A 123 24.900 17.548 -8.003 1.00 0.00 C ATOM 1770 CD2 LEU A 123 26.999 17.714 -9.343 1.00 0.00 C ATOM 0 H LEU A 123 27.936 16.482 -5.426 1.00 0.00 H new ATOM 0 HA LEU A 123 29.059 18.101 -7.558 1.00 0.00 H new ATOM 0 HB2 LEU A 123 26.462 18.185 -5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 123 26.867 19.356 -7.218 1.00 0.00 H new ATOM 0 HG LEU A 123 26.661 16.373 -7.715 1.00 0.00 H new ATOM 0 HD11 LEU A 123 24.487 16.888 -8.766 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.489 17.280 -7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 123 24.638 18.580 -8.236 1.00 0.00 H new ATOM 0 HD21 LEU A 123 26.558 17.050 -10.086 1.00 0.00 H new ATOM 0 HD22 LEU A 123 26.781 18.749 -9.606 1.00 0.00 H new ATOM 0 HD23 LEU A 123 28.079 17.566 -9.319 1.00 0.00 H new ATOM 1782 N SER A 124 29.582 18.965 -4.598 1.00 0.00 N ATOM 1783 CA SER A 124 30.062 20.018 -3.713 1.00 0.00 C ATOM 1784 C SER A 124 31.580 19.974 -3.565 1.00 0.00 C ATOM 1785 O SER A 124 32.257 20.981 -3.785 1.00 0.00 O ATOM 1786 CB SER A 124 29.381 19.928 -2.344 1.00 0.00 C ATOM 1787 OG SER A 124 29.462 18.619 -1.808 1.00 0.00 O ATOM 0 H SER A 124 29.707 18.016 -4.244 1.00 0.00 H new ATOM 0 HA SER A 124 29.801 20.975 -4.166 1.00 0.00 H new ATOM 0 HB2 SER A 124 29.849 20.633 -1.657 1.00 0.00 H new ATOM 0 HB3 SER A 124 28.335 20.220 -2.437 1.00 0.00 H new ATOM 0 HG SER A 124 28.770 18.056 -2.214 1.00 0.00 H new ATOM 1793 N ALA A 125 32.112 18.809 -3.213 1.00 0.00 N ATOM 1794 CA ALA A 125 33.533 18.663 -2.958 1.00 0.00 C ATOM 1795 C ALA A 125 33.912 17.196 -2.850 1.00 0.00 C ATOM 1796 O ALA A 125 33.266 16.427 -2.139 1.00 0.00 O ATOM 1797 CB ALA A 125 33.919 19.398 -1.682 1.00 0.00 C ATOM 0 H ALA A 125 31.574 17.950 -3.098 1.00 0.00 H new ATOM 0 HA ALA A 125 34.077 19.100 -3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 125 34.988 19.280 -1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 125 33.684 20.457 -1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 125 33.363 18.984 -0.841 1.00 0.00 H new