USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 558 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 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 72 THR OG1 : rot -160:sc= 0 USER MOD Set 2.1: A 14 ASN : amide:sc= -1.51! K(o=-1.2!,f=0.25) USER MOD Set 2.2: A 18 GLN : amide:sc= 0.21 X(o=-1.2,f=-0.71) USER MOD Set 2.3: A 30 TYR OH : rot -113:sc= 0.143 USER MOD Set 3.1: A 24 THR OG1 : rot -79:sc= 2.24 USER MOD Set 3.2: A 26 THR OG1 : rot -94:sc= 0.977 USER MOD Set 4.1: A 11 GLN : amide:sc= -1.84! C(o=-1.4!,f=-1.3!) USER MOD Set 4.2: A 15 SER OG : rot -110:sc= 0.437 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 154:sc= -0.23 (180deg=-0.942) USER MOD Single : A 22 LYS NZ :NH3+ -106:sc= -0.754 (180deg=-2.88!) USER MOD Single : A 23 GLN : amide:sc= -5.86! C(o=-5.9!,f=-3.1!) USER MOD Single : A 27 GLN : amide:sc= -0.759 K(o=-0.76,f=-5.5!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 97:sc= 0.0487 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= -0.0323 (180deg=-0.231) USER MOD Single : A 47 HIS : no HD1:sc= -0.0398 X(o=-0.04,f=-0.04) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 81:sc= 1.18 USER MOD Single : A 58 GLN : amide:sc= -1.18 K(o=-1.2,f=0) USER MOD Single : A 60 THR OG1 : rot 170:sc= -1.84! USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 3 -5.445 -7.558 -5.236 1.00 0.57 N ATOM 32 CA GLU A 3 -4.606 -7.304 -4.081 1.00 0.47 C ATOM 33 C GLU A 3 -3.332 -8.131 -4.184 1.00 0.42 C ATOM 34 O GLU A 3 -3.268 -9.090 -4.958 1.00 0.50 O ATOM 35 CB GLU A 3 -5.339 -7.644 -2.781 1.00 0.58 C ATOM 36 CG GLU A 3 -6.578 -6.804 -2.529 1.00 0.70 C ATOM 37 CD GLU A 3 -7.169 -7.039 -1.151 1.00 1.26 C ATOM 38 OE1 GLU A 3 -7.655 -8.161 -0.895 1.00 1.35 O ATOM 39 OE2 GLU A 3 -7.170 -6.100 -0.327 1.00 1.99 O ATOM 0 HA GLU A 3 -4.357 -6.243 -4.064 1.00 0.47 H new ATOM 0 HB2 GLU A 3 -5.625 -8.696 -2.802 1.00 0.58 H new ATOM 0 HB3 GLU A 3 -4.651 -7.517 -1.945 1.00 0.58 H new ATOM 0 HG2 GLU A 3 -6.326 -5.749 -2.638 1.00 0.70 H new ATOM 0 HG3 GLU A 3 -7.328 -7.032 -3.286 1.00 0.70 H new ATOM 46 N TRP A 4 -2.331 -7.763 -3.406 1.00 0.36 N ATOM 47 CA TRP A 4 -1.065 -8.479 -3.393 1.00 0.38 C ATOM 48 C TRP A 4 -0.721 -8.876 -1.965 1.00 0.34 C ATOM 49 O TRP A 4 -1.104 -8.185 -1.019 1.00 0.34 O ATOM 50 CB TRP A 4 0.058 -7.611 -3.977 1.00 0.45 C ATOM 51 CG TRP A 4 -0.115 -7.277 -5.429 1.00 0.57 C ATOM 52 CD1 TRP A 4 0.310 -8.016 -6.498 1.00 1.00 C ATOM 53 CD2 TRP A 4 -0.748 -6.113 -5.974 1.00 0.51 C ATOM 54 NE1 TRP A 4 -0.027 -7.384 -7.670 1.00 1.17 N ATOM 55 CE2 TRP A 4 -0.675 -6.216 -7.376 1.00 0.84 C ATOM 56 CE3 TRP A 4 -1.373 -4.995 -5.415 1.00 0.53 C ATOM 57 CZ2 TRP A 4 -1.203 -5.244 -8.223 1.00 0.89 C ATOM 58 CZ3 TRP A 4 -1.895 -4.034 -6.257 1.00 0.60 C ATOM 59 CH2 TRP A 4 -1.807 -4.163 -7.648 1.00 0.65 C ATOM 0 H TRP A 4 -2.369 -6.967 -2.770 1.00 0.36 H new ATOM 0 HA TRP A 4 -1.163 -9.373 -4.009 1.00 0.38 H new ATOM 0 HB2 TRP A 4 0.119 -6.684 -3.407 1.00 0.45 H new ATOM 0 HB3 TRP A 4 1.008 -8.129 -3.846 1.00 0.45 H new ATOM 0 HD1 TRP A 4 0.834 -8.958 -6.431 1.00 1.00 H new ATOM 0 HE1 TRP A 4 0.174 -7.730 -8.608 1.00 1.17 H new ATOM 0 HE3 TRP A 4 -1.446 -4.885 -4.343 1.00 0.53 H new ATOM 0 HZ2 TRP A 4 -1.137 -5.342 -9.296 1.00 0.89 H new ATOM 0 HZ3 TRP A 4 -2.380 -3.166 -5.835 1.00 0.60 H new ATOM 0 HH2 TRP A 4 -2.225 -3.392 -8.279 1.00 0.65 H new ATOM 70 N THR A 5 -0.003 -9.979 -1.813 1.00 0.37 N ATOM 71 CA THR A 5 0.416 -10.437 -0.500 1.00 0.39 C ATOM 72 C THR A 5 1.755 -9.796 -0.156 1.00 0.35 C ATOM 73 O THR A 5 2.807 -10.241 -0.617 1.00 0.44 O ATOM 74 CB THR A 5 0.545 -11.974 -0.459 1.00 0.55 C ATOM 75 OG1 THR A 5 -0.648 -12.580 -0.979 1.00 1.13 O ATOM 76 CG2 THR A 5 0.786 -12.464 0.963 1.00 1.11 C ATOM 0 H THR A 5 0.301 -10.573 -2.585 1.00 0.37 H new ATOM 0 HA THR A 5 -0.339 -10.146 0.230 1.00 0.39 H new ATOM 0 HB THR A 5 1.399 -12.259 -1.074 1.00 0.55 H new ATOM 0 HG1 THR A 5 -0.558 -13.555 -0.951 1.00 1.13 H new ATOM 0 HG21 THR A 5 0.873 -13.551 0.964 1.00 1.11 H new ATOM 0 HG22 THR A 5 1.707 -12.026 1.348 1.00 1.11 H new ATOM 0 HG23 THR A 5 -0.049 -12.167 1.597 1.00 1.11 H new ATOM 84 N LEU A 6 1.702 -8.742 0.636 1.00 0.30 N ATOM 85 CA LEU A 6 2.868 -7.915 0.894 1.00 0.34 C ATOM 86 C LEU A 6 3.491 -8.229 2.247 1.00 0.42 C ATOM 87 O LEU A 6 2.798 -8.605 3.195 1.00 0.75 O ATOM 88 CB LEU A 6 2.471 -6.435 0.838 1.00 0.42 C ATOM 89 CG LEU A 6 1.806 -5.986 -0.465 1.00 0.47 C ATOM 90 CD1 LEU A 6 1.352 -4.540 -0.355 1.00 0.66 C ATOM 91 CD2 LEU A 6 2.757 -6.160 -1.639 1.00 0.53 C ATOM 0 H LEU A 6 0.856 -8.435 1.116 1.00 0.30 H new ATOM 0 HA LEU A 6 3.611 -8.131 0.126 1.00 0.34 H new ATOM 0 HB2 LEU A 6 1.791 -6.226 1.664 1.00 0.42 H new ATOM 0 HB3 LEU A 6 3.363 -5.830 0.999 1.00 0.42 H new ATOM 0 HG LEU A 6 0.931 -6.611 -0.640 1.00 0.47 H new ATOM 0 HD11 LEU A 6 0.881 -4.234 -1.289 1.00 0.66 H new ATOM 0 HD12 LEU A 6 0.636 -4.445 0.461 1.00 0.66 H new ATOM 0 HD13 LEU A 6 2.214 -3.902 -0.158 1.00 0.66 H new ATOM 0 HD21 LEU A 6 2.266 -5.835 -2.556 1.00 0.53 H new ATOM 0 HD22 LEU A 6 3.652 -5.560 -1.474 1.00 0.53 H new ATOM 0 HD23 LEU A 6 3.036 -7.210 -1.729 1.00 0.53 H new ATOM 103 N ASP A 7 4.803 -8.068 2.323 1.00 0.38 N ATOM 104 CA ASP A 7 5.530 -8.182 3.575 1.00 0.44 C ATOM 105 C ASP A 7 6.576 -7.088 3.618 1.00 0.39 C ATOM 106 O ASP A 7 7.576 -7.133 2.900 1.00 0.46 O ATOM 107 CB ASP A 7 6.189 -9.553 3.725 1.00 0.58 C ATOM 108 CG ASP A 7 6.955 -9.677 5.029 1.00 1.30 C ATOM 109 OD1 ASP A 7 6.313 -9.748 6.097 1.00 1.67 O ATOM 110 OD2 ASP A 7 8.205 -9.694 4.996 1.00 2.12 O ATOM 0 H ASP A 7 5.392 -7.855 1.518 1.00 0.38 H new ATOM 0 HA ASP A 7 4.830 -8.074 4.404 1.00 0.44 H new ATOM 0 HB2 ASP A 7 5.425 -10.329 3.678 1.00 0.58 H new ATOM 0 HB3 ASP A 7 6.867 -9.722 2.889 1.00 0.58 H new ATOM 115 N ILE A 8 6.318 -6.091 4.436 1.00 0.35 N ATOM 116 CA ILE A 8 7.092 -4.869 4.423 1.00 0.32 C ATOM 117 C ILE A 8 7.855 -4.685 5.733 1.00 0.30 C ATOM 118 O ILE A 8 7.267 -4.728 6.816 1.00 0.35 O ATOM 119 CB ILE A 8 6.150 -3.679 4.155 1.00 0.37 C ATOM 120 CG1 ILE A 8 5.626 -3.766 2.712 1.00 0.52 C ATOM 121 CG2 ILE A 8 6.851 -2.348 4.405 1.00 0.44 C ATOM 122 CD1 ILE A 8 4.561 -2.748 2.371 1.00 0.91 C ATOM 0 H ILE A 8 5.568 -6.104 5.127 1.00 0.35 H new ATOM 0 HA ILE A 8 7.835 -4.924 3.627 1.00 0.32 H new ATOM 0 HB ILE A 8 5.309 -3.730 4.847 1.00 0.37 H new ATOM 0 HG12 ILE A 8 6.464 -3.641 2.026 1.00 0.52 H new ATOM 0 HG13 ILE A 8 5.223 -4.765 2.544 1.00 0.52 H new ATOM 0 HG21 ILE A 8 6.159 -1.529 4.207 1.00 0.44 H new ATOM 0 HG22 ILE A 8 7.182 -2.300 5.442 1.00 0.44 H new ATOM 0 HG23 ILE A 8 7.714 -2.262 3.745 1.00 0.44 H new ATOM 0 HD11 ILE A 8 4.249 -2.881 1.335 1.00 0.91 H new ATOM 0 HD12 ILE A 8 3.703 -2.885 3.029 1.00 0.91 H new ATOM 0 HD13 ILE A 8 4.963 -1.743 2.503 1.00 0.91 H new ATOM 134 N PRO A 9 9.185 -4.494 5.631 1.00 0.26 N ATOM 135 CA PRO A 9 10.078 -4.356 6.788 1.00 0.26 C ATOM 136 C PRO A 9 9.712 -3.199 7.710 1.00 0.27 C ATOM 137 O PRO A 9 9.092 -2.218 7.295 1.00 0.32 O ATOM 138 CB PRO A 9 11.451 -4.098 6.156 1.00 0.29 C ATOM 139 CG PRO A 9 11.347 -4.657 4.784 1.00 0.35 C ATOM 140 CD PRO A 9 9.931 -4.415 4.362 1.00 0.29 C ATOM 0 HA PRO A 9 10.028 -5.242 7.421 1.00 0.26 H new ATOM 0 HB2 PRO A 9 11.682 -3.033 6.133 1.00 0.29 H new ATOM 0 HB3 PRO A 9 12.245 -4.584 6.722 1.00 0.29 H new ATOM 0 HG2 PRO A 9 12.048 -4.169 4.107 1.00 0.35 H new ATOM 0 HG3 PRO A 9 11.583 -5.721 4.774 1.00 0.35 H new ATOM 0 HD2 PRO A 9 9.813 -3.442 3.885 1.00 0.29 H new ATOM 0 HD3 PRO A 9 9.590 -5.164 3.647 1.00 0.29 H new ATOM 148 N ALA A 10 10.144 -3.317 8.957 1.00 0.30 N ATOM 149 CA ALA A 10 9.883 -2.308 9.973 1.00 0.33 C ATOM 150 C ALA A 10 11.175 -1.588 10.323 1.00 0.35 C ATOM 151 O ALA A 10 11.320 -1.008 11.395 1.00 0.43 O ATOM 152 CB ALA A 10 9.267 -2.946 11.212 1.00 0.41 C ATOM 0 H ALA A 10 10.685 -4.114 9.293 1.00 0.30 H new ATOM 0 HA ALA A 10 9.172 -1.582 9.580 1.00 0.33 H new ATOM 0 HB1 ALA A 10 9.078 -2.177 11.961 1.00 0.41 H new ATOM 0 HB2 ALA A 10 8.328 -3.429 10.944 1.00 0.41 H new ATOM 0 HB3 ALA A 10 9.954 -3.688 11.619 1.00 0.41 H new ATOM 158 N GLN A 11 12.114 -1.647 9.398 1.00 0.34 N ATOM 159 CA GLN A 11 13.396 -0.986 9.554 1.00 0.40 C ATOM 160 C GLN A 11 13.375 0.328 8.786 1.00 0.35 C ATOM 161 O GLN A 11 12.314 0.929 8.638 1.00 0.37 O ATOM 162 CB GLN A 11 14.510 -1.911 9.057 1.00 0.53 C ATOM 163 CG GLN A 11 14.383 -2.305 7.591 1.00 0.96 C ATOM 164 CD GLN A 11 15.207 -3.530 7.246 1.00 0.90 C ATOM 165 OE1 GLN A 11 15.403 -4.413 8.076 1.00 1.61 O ATOM 166 NE2 GLN A 11 15.706 -3.585 6.024 1.00 0.90 N ATOM 0 H GLN A 11 12.010 -2.153 8.519 1.00 0.34 H new ATOM 0 HA GLN A 11 13.586 -0.766 10.604 1.00 0.40 H new ATOM 0 HB2 GLN A 11 15.471 -1.419 9.208 1.00 0.53 H new ATOM 0 HB3 GLN A 11 14.516 -2.815 9.666 1.00 0.53 H new ATOM 0 HG2 GLN A 11 13.336 -2.499 7.359 1.00 0.96 H new ATOM 0 HG3 GLN A 11 14.699 -1.470 6.965 1.00 0.96 H new ATOM 0 HE21 GLN A 11 15.520 -2.831 5.363 1.00 0.90 H new ATOM 0 HE22 GLN A 11 16.277 -4.382 5.742 1.00 0.90 H new ATOM 175 N SER A 12 14.530 0.775 8.308 1.00 0.38 N ATOM 176 CA SER A 12 14.611 2.005 7.529 1.00 0.40 C ATOM 177 C SER A 12 13.592 1.997 6.386 1.00 0.36 C ATOM 178 O SER A 12 13.466 1.014 5.649 1.00 0.34 O ATOM 179 CB SER A 12 16.024 2.183 6.967 1.00 0.50 C ATOM 180 OG SER A 12 16.157 3.414 6.273 1.00 1.30 O ATOM 0 H SER A 12 15.424 0.304 8.446 1.00 0.38 H new ATOM 0 HA SER A 12 14.381 2.841 8.190 1.00 0.40 H new ATOM 0 HB2 SER A 12 16.748 2.143 7.781 1.00 0.50 H new ATOM 0 HB3 SER A 12 16.255 1.358 6.294 1.00 0.50 H new ATOM 0 HG SER A 12 17.070 3.498 5.928 1.00 1.30 H new ATOM 186 N MET A 13 12.862 3.110 6.275 1.00 0.42 N ATOM 187 CA MET A 13 11.856 3.318 5.231 1.00 0.46 C ATOM 188 C MET A 13 12.431 3.011 3.853 1.00 0.42 C ATOM 189 O MET A 13 11.708 2.628 2.934 1.00 0.45 O ATOM 190 CB MET A 13 11.368 4.771 5.269 1.00 0.61 C ATOM 191 CG MET A 13 10.272 5.089 4.260 1.00 0.68 C ATOM 192 SD MET A 13 8.658 4.465 4.763 1.00 1.29 S ATOM 193 CE MET A 13 8.358 5.472 6.214 1.00 1.00 C ATOM 0 H MET A 13 12.954 3.900 6.914 1.00 0.42 H new ATOM 0 HA MET A 13 11.022 2.642 5.417 1.00 0.46 H new ATOM 0 HB2 MET A 13 10.999 4.992 6.271 1.00 0.61 H new ATOM 0 HB3 MET A 13 12.216 5.432 5.088 1.00 0.61 H new ATOM 0 HG2 MET A 13 10.213 6.169 4.123 1.00 0.68 H new ATOM 0 HG3 MET A 13 10.538 4.659 3.294 1.00 0.68 H new ATOM 0 HE1 MET A 13 7.284 5.566 6.376 1.00 1.00 H new ATOM 0 HE2 MET A 13 8.816 5.002 7.084 1.00 1.00 H new ATOM 0 HE3 MET A 13 8.791 6.461 6.066 1.00 1.00 H new ATOM 203 N ASN A 14 13.743 3.197 3.724 1.00 0.41 N ATOM 204 CA ASN A 14 14.463 2.904 2.491 1.00 0.45 C ATOM 205 C ASN A 14 14.201 1.474 2.023 1.00 0.41 C ATOM 206 O ASN A 14 13.961 1.238 0.837 1.00 0.47 O ATOM 207 CB ASN A 14 15.967 3.118 2.706 1.00 0.52 C ATOM 208 CG ASN A 14 16.810 2.698 1.513 1.00 1.32 C ATOM 209 OD1 ASN A 14 17.250 1.553 1.420 1.00 2.26 O ATOM 210 ND2 ASN A 14 17.053 3.626 0.603 1.00 1.85 N ATOM 0 H ASN A 14 14.335 3.555 4.473 1.00 0.41 H new ATOM 0 HA ASN A 14 14.105 3.583 1.717 1.00 0.45 H new ATOM 0 HB2 ASN A 14 16.150 4.171 2.919 1.00 0.52 H new ATOM 0 HB3 ASN A 14 16.285 2.555 3.583 1.00 0.52 H new ATOM 0 HD21 ASN A 14 17.624 3.403 -0.213 1.00 1.85 H new ATOM 0 HD22 ASN A 14 16.670 4.564 0.717 1.00 1.85 H new ATOM 217 N SER A 15 14.208 0.531 2.962 1.00 0.36 N ATOM 218 CA SER A 15 14.046 -0.878 2.630 1.00 0.36 C ATOM 219 C SER A 15 12.583 -1.200 2.364 1.00 0.32 C ATOM 220 O SER A 15 12.261 -1.972 1.461 1.00 0.32 O ATOM 221 CB SER A 15 14.558 -1.754 3.773 1.00 0.38 C ATOM 222 OG SER A 15 15.838 -1.331 4.213 1.00 1.20 O ATOM 0 H SER A 15 14.324 0.719 3.958 1.00 0.36 H new ATOM 0 HA SER A 15 14.625 -1.083 1.730 1.00 0.36 H new ATOM 0 HB2 SER A 15 13.855 -1.718 4.605 1.00 0.38 H new ATOM 0 HB3 SER A 15 14.609 -2.792 3.444 1.00 0.38 H new ATOM 0 HG SER A 15 16.509 -1.998 3.956 1.00 1.20 H new ATOM 228 N ALA A 16 11.704 -0.601 3.159 1.00 0.31 N ATOM 229 CA ALA A 16 10.272 -0.848 3.045 1.00 0.32 C ATOM 230 C ALA A 16 9.758 -0.484 1.660 1.00 0.30 C ATOM 231 O ALA A 16 9.009 -1.244 1.045 1.00 0.29 O ATOM 232 CB ALA A 16 9.524 -0.063 4.107 1.00 0.38 C ATOM 0 H ALA A 16 11.959 0.061 3.892 1.00 0.31 H new ATOM 0 HA ALA A 16 10.097 -1.913 3.197 1.00 0.32 H new ATOM 0 HB1 ALA A 16 8.455 -0.253 4.015 1.00 0.38 H new ATOM 0 HB2 ALA A 16 9.864 -0.373 5.095 1.00 0.38 H new ATOM 0 HB3 ALA A 16 9.716 1.002 3.975 1.00 0.38 H new ATOM 238 N LEU A 17 10.178 0.672 1.167 1.00 0.31 N ATOM 239 CA LEU A 17 9.745 1.139 -0.139 1.00 0.33 C ATOM 240 C LEU A 17 10.264 0.224 -1.247 1.00 0.32 C ATOM 241 O LEU A 17 9.536 -0.098 -2.182 1.00 0.35 O ATOM 242 CB LEU A 17 10.205 2.581 -0.368 1.00 0.38 C ATOM 243 CG LEU A 17 9.623 3.605 0.612 1.00 0.46 C ATOM 244 CD1 LEU A 17 10.127 5.001 0.289 1.00 0.92 C ATOM 245 CD2 LEU A 17 8.101 3.570 0.587 1.00 0.73 C ATOM 0 H LEU A 17 10.817 1.302 1.652 1.00 0.31 H new ATOM 0 HA LEU A 17 8.656 1.114 -0.167 1.00 0.33 H new ATOM 0 HB2 LEU A 17 11.293 2.615 -0.304 1.00 0.38 H new ATOM 0 HB3 LEU A 17 9.936 2.876 -1.382 1.00 0.38 H new ATOM 0 HG LEU A 17 9.956 3.342 1.616 1.00 0.46 H new ATOM 0 HD11 LEU A 17 9.702 5.714 0.996 1.00 0.92 H new ATOM 0 HD12 LEU A 17 11.214 5.021 0.362 1.00 0.92 H new ATOM 0 HD13 LEU A 17 9.826 5.271 -0.723 1.00 0.92 H new ATOM 0 HD21 LEU A 17 7.709 4.305 1.290 1.00 0.73 H new ATOM 0 HD22 LEU A 17 7.748 3.804 -0.417 1.00 0.73 H new ATOM 0 HD23 LEU A 17 7.755 2.576 0.870 1.00 0.73 H new ATOM 257 N GLN A 18 11.516 -0.211 -1.124 1.00 0.34 N ATOM 258 CA GLN A 18 12.108 -1.116 -2.107 1.00 0.39 C ATOM 259 C GLN A 18 11.406 -2.472 -2.098 1.00 0.33 C ATOM 260 O GLN A 18 11.214 -3.087 -3.148 1.00 0.34 O ATOM 261 CB GLN A 18 13.603 -1.294 -1.843 1.00 0.49 C ATOM 262 CG GLN A 18 14.428 -0.070 -2.195 1.00 1.07 C ATOM 263 CD GLN A 18 15.895 -0.236 -1.854 1.00 1.51 C ATOM 264 OE1 GLN A 18 16.428 -1.346 -1.858 1.00 2.06 O ATOM 265 NE2 GLN A 18 16.563 0.872 -1.564 1.00 2.19 N ATOM 0 H GLN A 18 12.138 0.047 -0.358 1.00 0.34 H new ATOM 0 HA GLN A 18 11.977 -0.670 -3.093 1.00 0.39 H new ATOM 0 HB2 GLN A 18 13.752 -1.533 -0.790 1.00 0.49 H new ATOM 0 HB3 GLN A 18 13.967 -2.146 -2.418 1.00 0.49 H new ATOM 0 HG2 GLN A 18 14.328 0.136 -3.261 1.00 1.07 H new ATOM 0 HG3 GLN A 18 14.031 0.795 -1.664 1.00 1.07 H new ATOM 0 HE21 GLN A 18 16.085 1.773 -1.572 1.00 2.19 H new ATOM 0 HE22 GLN A 18 17.555 0.824 -1.333 1.00 2.19 H new ATOM 274 N ALA A 19 11.018 -2.930 -0.913 1.00 0.29 N ATOM 275 CA ALA A 19 10.305 -4.193 -0.785 1.00 0.28 C ATOM 276 C ALA A 19 8.936 -4.107 -1.444 1.00 0.26 C ATOM 277 O ALA A 19 8.516 -5.025 -2.147 1.00 0.28 O ATOM 278 CB ALA A 19 10.171 -4.584 0.676 1.00 0.31 C ATOM 0 H ALA A 19 11.185 -2.446 -0.031 1.00 0.29 H new ATOM 0 HA ALA A 19 10.882 -4.964 -1.296 1.00 0.28 H new ATOM 0 HB1 ALA A 19 9.635 -5.530 0.752 1.00 0.31 H new ATOM 0 HB2 ALA A 19 11.162 -4.692 1.116 1.00 0.31 H new ATOM 0 HB3 ALA A 19 9.619 -3.811 1.210 1.00 0.31 H new ATOM 284 N LEU A 20 8.258 -2.983 -1.239 1.00 0.27 N ATOM 285 CA LEU A 20 6.937 -2.767 -1.813 1.00 0.32 C ATOM 286 C LEU A 20 7.030 -2.697 -3.333 1.00 0.33 C ATOM 287 O LEU A 20 6.143 -3.172 -4.045 1.00 0.36 O ATOM 288 CB LEU A 20 6.328 -1.475 -1.256 1.00 0.38 C ATOM 289 CG LEU A 20 4.944 -1.107 -1.800 1.00 0.58 C ATOM 290 CD1 LEU A 20 3.921 -2.175 -1.443 1.00 1.03 C ATOM 291 CD2 LEU A 20 4.510 0.251 -1.267 1.00 0.95 C ATOM 0 H LEU A 20 8.604 -2.205 -0.677 1.00 0.27 H new ATOM 0 HA LEU A 20 6.292 -3.603 -1.542 1.00 0.32 H new ATOM 0 HB2 LEU A 20 6.260 -1.564 -0.172 1.00 0.38 H new ATOM 0 HB3 LEU A 20 7.012 -0.652 -1.466 1.00 0.38 H new ATOM 0 HG LEU A 20 5.007 -1.049 -2.887 1.00 0.58 H new ATOM 0 HD11 LEU A 20 2.946 -1.892 -1.840 1.00 1.03 H new ATOM 0 HD12 LEU A 20 4.225 -3.129 -1.874 1.00 1.03 H new ATOM 0 HD13 LEU A 20 3.858 -2.270 -0.359 1.00 1.03 H new ATOM 0 HD21 LEU A 20 3.525 0.499 -1.662 1.00 0.95 H new ATOM 0 HD22 LEU A 20 4.466 0.218 -0.178 1.00 0.95 H new ATOM 0 HD23 LEU A 20 5.227 1.010 -1.578 1.00 0.95 H new ATOM 303 N ALA A 21 8.132 -2.127 -3.807 1.00 0.33 N ATOM 304 CA ALA A 21 8.348 -1.908 -5.229 1.00 0.39 C ATOM 305 C ALA A 21 8.380 -3.229 -5.987 1.00 0.38 C ATOM 306 O ALA A 21 7.583 -3.458 -6.893 1.00 0.44 O ATOM 307 CB ALA A 21 9.638 -1.135 -5.456 1.00 0.44 C ATOM 0 H ALA A 21 8.898 -1.805 -3.216 1.00 0.33 H new ATOM 0 HA ALA A 21 7.514 -1.319 -5.611 1.00 0.39 H new ATOM 0 HB1 ALA A 21 9.786 -0.979 -6.525 1.00 0.44 H new ATOM 0 HB2 ALA A 21 9.577 -0.170 -4.954 1.00 0.44 H new ATOM 0 HB3 ALA A 21 10.477 -1.701 -5.053 1.00 0.44 H new ATOM 313 N LYS A 22 9.303 -4.103 -5.595 1.00 0.36 N ATOM 314 CA LYS A 22 9.496 -5.380 -6.278 1.00 0.42 C ATOM 315 C LYS A 22 8.286 -6.299 -6.127 1.00 0.37 C ATOM 316 O LYS A 22 8.088 -7.209 -6.931 1.00 0.47 O ATOM 317 CB LYS A 22 10.746 -6.085 -5.752 1.00 0.53 C ATOM 318 CG LYS A 22 12.025 -5.282 -5.930 1.00 1.22 C ATOM 319 CD LYS A 22 13.281 -6.127 -5.720 1.00 1.84 C ATOM 320 CE LYS A 22 13.436 -6.638 -4.290 1.00 2.65 C ATOM 321 NZ LYS A 22 12.533 -7.780 -3.988 1.00 3.41 N ATOM 0 H LYS A 22 9.931 -3.950 -4.806 1.00 0.36 H new ATOM 0 HA LYS A 22 9.620 -5.160 -7.338 1.00 0.42 H new ATOM 0 HB2 LYS A 22 10.610 -6.303 -4.693 1.00 0.53 H new ATOM 0 HB3 LYS A 22 10.855 -7.041 -6.263 1.00 0.53 H new ATOM 0 HG2 LYS A 22 12.044 -4.852 -6.931 1.00 1.22 H new ATOM 0 HG3 LYS A 22 12.029 -4.450 -5.226 1.00 1.22 H new ATOM 0 HD2 LYS A 22 13.256 -6.978 -6.401 1.00 1.84 H new ATOM 0 HD3 LYS A 22 14.157 -5.534 -5.983 1.00 1.84 H new ATOM 0 HE2 LYS A 22 14.469 -6.945 -4.128 1.00 2.65 H new ATOM 0 HE3 LYS A 22 13.232 -5.825 -3.594 1.00 2.65 H new ATOM 0 HZ1 LYS A 22 11.755 -7.456 -3.379 1.00 3.41 H new ATOM 0 HZ2 LYS A 22 12.144 -8.159 -4.875 1.00 3.41 H new ATOM 0 HZ3 LYS A 22 13.068 -8.526 -3.499 1.00 3.41 H new ATOM 335 N GLN A 23 7.475 -6.070 -5.100 1.00 0.33 N ATOM 336 CA GLN A 23 6.311 -6.919 -4.868 1.00 0.39 C ATOM 337 C GLN A 23 5.118 -6.487 -5.716 1.00 0.40 C ATOM 338 O GLN A 23 4.221 -7.285 -5.979 1.00 0.49 O ATOM 339 CB GLN A 23 5.918 -6.938 -3.389 1.00 0.52 C ATOM 340 CG GLN A 23 6.957 -7.595 -2.497 1.00 0.76 C ATOM 341 CD GLN A 23 6.377 -8.110 -1.193 1.00 0.78 C ATOM 342 OE1 GLN A 23 7.036 -8.104 -0.156 1.00 1.52 O ATOM 343 NE2 GLN A 23 5.144 -8.586 -1.247 1.00 1.29 N ATOM 0 H GLN A 23 7.598 -5.316 -4.424 1.00 0.33 H new ATOM 0 HA GLN A 23 6.596 -7.928 -5.166 1.00 0.39 H new ATOM 0 HB2 GLN A 23 5.755 -5.915 -3.051 1.00 0.52 H new ATOM 0 HB3 GLN A 23 4.970 -7.465 -3.279 1.00 0.52 H new ATOM 0 HG2 GLN A 23 7.419 -8.423 -3.035 1.00 0.76 H new ATOM 0 HG3 GLN A 23 7.747 -6.877 -2.278 1.00 0.76 H new ATOM 0 HE21 GLN A 23 4.630 -8.573 -2.128 1.00 1.29 H new ATOM 0 HE22 GLN A 23 4.707 -8.966 -0.408 1.00 1.29 H new ATOM 352 N THR A 24 5.104 -5.233 -6.149 1.00 0.38 N ATOM 353 CA THR A 24 3.988 -4.730 -6.940 1.00 0.47 C ATOM 354 C THR A 24 4.424 -4.327 -8.349 1.00 0.48 C ATOM 355 O THR A 24 3.609 -3.866 -9.152 1.00 0.76 O ATOM 356 CB THR A 24 3.313 -3.524 -6.255 1.00 0.54 C ATOM 357 OG1 THR A 24 4.304 -2.553 -5.889 1.00 0.62 O ATOM 358 CG2 THR A 24 2.544 -3.960 -5.019 1.00 0.62 C ATOM 0 H THR A 24 5.843 -4.553 -5.969 1.00 0.38 H new ATOM 0 HA THR A 24 3.272 -5.548 -7.016 1.00 0.47 H new ATOM 0 HB THR A 24 2.610 -3.081 -6.960 1.00 0.54 H new ATOM 0 HG1 THR A 24 4.751 -2.836 -5.064 1.00 0.62 H new ATOM 0 HG21 THR A 24 2.078 -3.091 -4.555 1.00 0.62 H new ATOM 0 HG22 THR A 24 1.773 -4.676 -5.304 1.00 0.62 H new ATOM 0 HG23 THR A 24 3.228 -4.426 -4.310 1.00 0.62 H new ATOM 366 N ASP A 25 5.713 -4.526 -8.630 1.00 0.41 N ATOM 367 CA ASP A 25 6.320 -4.162 -9.914 1.00 0.49 C ATOM 368 C ASP A 25 6.124 -2.671 -10.191 1.00 0.49 C ATOM 369 O ASP A 25 5.719 -2.265 -11.281 1.00 0.72 O ATOM 370 CB ASP A 25 5.743 -5.014 -11.055 1.00 0.68 C ATOM 371 CG ASP A 25 6.442 -4.778 -12.381 1.00 1.29 C ATOM 372 OD1 ASP A 25 7.680 -4.944 -12.447 1.00 1.57 O ATOM 373 OD2 ASP A 25 5.750 -4.450 -13.371 1.00 2.11 O ATOM 0 H ASP A 25 6.369 -4.946 -7.971 1.00 0.41 H new ATOM 0 HA ASP A 25 7.390 -4.363 -9.858 1.00 0.49 H new ATOM 0 HB2 ASP A 25 5.823 -6.068 -10.791 1.00 0.68 H new ATOM 0 HB3 ASP A 25 4.681 -4.793 -11.165 1.00 0.68 H new ATOM 378 N THR A 26 6.406 -1.857 -9.186 1.00 0.34 N ATOM 379 CA THR A 26 6.249 -0.420 -9.303 1.00 0.40 C ATOM 380 C THR A 26 7.598 0.283 -9.214 1.00 0.38 C ATOM 381 O THR A 26 8.561 -0.266 -8.675 1.00 0.40 O ATOM 382 CB THR A 26 5.311 0.115 -8.207 1.00 0.46 C ATOM 383 OG1 THR A 26 5.691 -0.428 -6.934 1.00 0.76 O ATOM 384 CG2 THR A 26 3.863 -0.245 -8.510 1.00 0.72 C ATOM 0 H THR A 26 6.746 -2.171 -8.277 1.00 0.34 H new ATOM 0 HA THR A 26 5.809 -0.212 -10.278 1.00 0.40 H new ATOM 0 HB THR A 26 5.397 1.201 -8.180 1.00 0.46 H new ATOM 0 HG1 THR A 26 5.163 -1.233 -6.751 1.00 0.76 H new ATOM 0 HG21 THR A 26 3.219 0.144 -7.721 1.00 0.72 H new ATOM 0 HG22 THR A 26 3.572 0.192 -9.465 1.00 0.72 H new ATOM 0 HG23 THR A 26 3.761 -1.329 -8.561 1.00 0.72 H new ATOM 392 N GLN A 27 7.671 1.480 -9.772 1.00 0.41 N ATOM 393 CA GLN A 27 8.880 2.289 -9.705 1.00 0.44 C ATOM 394 C GLN A 27 8.694 3.400 -8.686 1.00 0.46 C ATOM 395 O GLN A 27 7.800 4.225 -8.821 1.00 0.47 O ATOM 396 CB GLN A 27 9.192 2.879 -11.084 1.00 0.50 C ATOM 397 CG GLN A 27 10.300 3.927 -11.085 1.00 1.05 C ATOM 398 CD GLN A 27 11.670 3.366 -10.747 1.00 1.67 C ATOM 399 OE1 GLN A 27 11.800 2.401 -9.998 1.00 2.39 O ATOM 400 NE2 GLN A 27 12.704 3.976 -11.307 1.00 2.31 N ATOM 0 H GLN A 27 6.902 1.917 -10.280 1.00 0.41 H new ATOM 0 HA GLN A 27 9.717 1.662 -9.397 1.00 0.44 H new ATOM 0 HB2 GLN A 27 9.474 2.069 -11.757 1.00 0.50 H new ATOM 0 HB3 GLN A 27 8.284 3.327 -11.488 1.00 0.50 H new ATOM 0 HG2 GLN A 27 10.342 4.398 -12.067 1.00 1.05 H new ATOM 0 HG3 GLN A 27 10.050 4.708 -10.367 1.00 1.05 H new ATOM 0 HE21 GLN A 27 12.553 4.774 -11.923 1.00 2.31 H new ATOM 0 HE22 GLN A 27 13.652 3.647 -11.122 1.00 2.31 H new ATOM 409 N LEU A 28 9.539 3.424 -7.668 1.00 0.51 N ATOM 410 CA LEU A 28 9.399 4.398 -6.597 1.00 0.55 C ATOM 411 C LEU A 28 10.523 5.422 -6.643 1.00 0.58 C ATOM 412 O LEU A 28 11.699 5.073 -6.738 1.00 0.71 O ATOM 413 CB LEU A 28 9.360 3.716 -5.223 1.00 0.69 C ATOM 414 CG LEU A 28 8.005 3.120 -4.816 1.00 0.78 C ATOM 415 CD1 LEU A 28 7.638 1.933 -5.693 1.00 1.51 C ATOM 416 CD2 LEU A 28 8.026 2.715 -3.349 1.00 1.30 C ATOM 0 H LEU A 28 10.326 2.784 -7.560 1.00 0.51 H new ATOM 0 HA LEU A 28 8.451 4.914 -6.748 1.00 0.55 H new ATOM 0 HB2 LEU A 28 10.105 2.920 -5.211 1.00 0.69 H new ATOM 0 HB3 LEU A 28 9.658 4.443 -4.468 1.00 0.69 H new ATOM 0 HG LEU A 28 7.243 3.886 -4.958 1.00 0.78 H new ATOM 0 HD11 LEU A 28 6.674 1.533 -5.380 1.00 1.51 H new ATOM 0 HD12 LEU A 28 7.577 2.254 -6.733 1.00 1.51 H new ATOM 0 HD13 LEU A 28 8.400 1.160 -5.596 1.00 1.51 H new ATOM 0 HD21 LEU A 28 7.059 2.294 -3.074 1.00 1.30 H new ATOM 0 HD22 LEU A 28 8.805 1.970 -3.188 1.00 1.30 H new ATOM 0 HD23 LEU A 28 8.229 3.591 -2.733 1.00 1.30 H new ATOM 428 N LEU A 29 10.145 6.686 -6.584 1.00 0.53 N ATOM 429 CA LEU A 29 11.094 7.780 -6.598 1.00 0.60 C ATOM 430 C LEU A 29 11.079 8.481 -5.248 1.00 0.63 C ATOM 431 O LEU A 29 10.090 9.124 -4.884 1.00 0.66 O ATOM 432 CB LEU A 29 10.745 8.771 -7.714 1.00 0.65 C ATOM 433 CG LEU A 29 11.704 9.956 -7.862 1.00 1.17 C ATOM 434 CD1 LEU A 29 13.110 9.473 -8.192 1.00 1.90 C ATOM 435 CD2 LEU A 29 11.197 10.910 -8.932 1.00 2.03 C ATOM 0 H LEU A 29 9.170 6.981 -6.525 1.00 0.53 H new ATOM 0 HA LEU A 29 12.093 7.386 -6.787 1.00 0.60 H new ATOM 0 HB2 LEU A 29 10.713 8.231 -8.660 1.00 0.65 H new ATOM 0 HB3 LEU A 29 9.742 9.157 -7.534 1.00 0.65 H new ATOM 0 HG LEU A 29 11.746 10.490 -6.913 1.00 1.17 H new ATOM 0 HD11 LEU A 29 13.775 10.331 -8.293 1.00 1.90 H new ATOM 0 HD12 LEU A 29 13.470 8.827 -7.391 1.00 1.90 H new ATOM 0 HD13 LEU A 29 13.093 8.915 -9.128 1.00 1.90 H new ATOM 0 HD21 LEU A 29 11.887 11.748 -9.028 1.00 2.03 H new ATOM 0 HD22 LEU A 29 11.129 10.385 -9.885 1.00 2.03 H new ATOM 0 HD23 LEU A 29 10.212 11.281 -8.651 1.00 2.03 H new ATOM 447 N TYR A 30 12.162 8.345 -4.504 1.00 0.65 N ATOM 448 CA TYR A 30 12.262 8.944 -3.186 1.00 0.72 C ATOM 449 C TYR A 30 13.716 9.243 -2.855 1.00 0.77 C ATOM 450 O TYR A 30 14.621 8.562 -3.340 1.00 0.82 O ATOM 451 CB TYR A 30 11.657 8.016 -2.122 1.00 0.72 C ATOM 452 CG TYR A 30 12.389 6.698 -1.945 1.00 0.69 C ATOM 453 CD1 TYR A 30 12.199 5.644 -2.832 1.00 0.65 C ATOM 454 CD2 TYR A 30 13.263 6.507 -0.879 1.00 0.80 C ATOM 455 CE1 TYR A 30 12.860 4.440 -2.663 1.00 0.71 C ATOM 456 CE2 TYR A 30 13.928 5.309 -0.705 1.00 0.88 C ATOM 457 CZ TYR A 30 13.725 4.279 -1.599 1.00 0.83 C ATOM 458 OH TYR A 30 14.382 3.081 -1.425 1.00 0.96 O ATOM 0 H TYR A 30 12.989 7.822 -4.793 1.00 0.65 H new ATOM 0 HA TYR A 30 11.700 9.878 -3.188 1.00 0.72 H new ATOM 0 HB2 TYR A 30 11.643 8.540 -1.167 1.00 0.72 H new ATOM 0 HB3 TYR A 30 10.620 7.808 -2.387 1.00 0.72 H new ATOM 0 HD1 TYR A 30 11.525 5.767 -3.666 1.00 0.65 H new ATOM 0 HD2 TYR A 30 13.424 7.310 -0.175 1.00 0.80 H new ATOM 0 HE1 TYR A 30 12.700 3.631 -3.360 1.00 0.71 H new ATOM 0 HE2 TYR A 30 14.604 5.180 0.127 1.00 0.88 H new ATOM 0 HH TYR A 30 14.058 2.646 -0.609 1.00 0.96 H new ATOM 468 N SER A 31 13.937 10.254 -2.037 1.00 0.85 N ATOM 469 CA SER A 31 15.274 10.599 -1.598 1.00 0.97 C ATOM 470 C SER A 31 15.544 9.959 -0.234 1.00 0.88 C ATOM 471 O SER A 31 14.990 10.378 0.781 1.00 0.85 O ATOM 472 CB SER A 31 15.426 12.121 -1.535 1.00 1.20 C ATOM 473 OG SER A 31 15.177 12.715 -2.802 1.00 1.78 O ATOM 0 H SER A 31 13.202 10.854 -1.661 1.00 0.85 H new ATOM 0 HA SER A 31 16.006 10.217 -2.310 1.00 0.97 H new ATOM 0 HB2 SER A 31 14.734 12.528 -0.797 1.00 1.20 H new ATOM 0 HB3 SER A 31 16.432 12.375 -1.203 1.00 1.20 H new ATOM 0 HG SER A 31 15.279 13.687 -2.733 1.00 1.78 H new ATOM 479 N PRO A 32 16.393 8.916 -0.211 1.00 0.96 N ATOM 480 CA PRO A 32 16.635 8.090 0.984 1.00 0.99 C ATOM 481 C PRO A 32 17.178 8.878 2.173 1.00 1.01 C ATOM 482 O PRO A 32 16.841 8.593 3.322 1.00 1.05 O ATOM 483 CB PRO A 32 17.674 7.065 0.510 1.00 1.23 C ATOM 484 CG PRO A 32 17.570 7.062 -0.975 1.00 1.37 C ATOM 485 CD PRO A 32 17.194 8.460 -1.359 1.00 1.12 C ATOM 0 HA PRO A 32 15.706 7.652 1.349 1.00 0.99 H new ATOM 0 HB2 PRO A 32 18.677 7.342 0.834 1.00 1.23 H new ATOM 0 HB3 PRO A 32 17.468 6.077 0.921 1.00 1.23 H new ATOM 0 HG2 PRO A 32 18.515 6.771 -1.433 1.00 1.37 H new ATOM 0 HG3 PRO A 32 16.819 6.348 -1.313 1.00 1.37 H new ATOM 0 HD2 PRO A 32 18.073 9.086 -1.512 1.00 1.12 H new ATOM 0 HD3 PRO A 32 16.621 8.483 -2.286 1.00 1.12 H new ATOM 493 N GLU A 33 18.032 9.849 1.905 1.00 1.09 N ATOM 494 CA GLU A 33 18.632 10.643 2.966 1.00 1.26 C ATOM 495 C GLU A 33 17.651 11.710 3.458 1.00 1.23 C ATOM 496 O GLU A 33 17.747 12.197 4.586 1.00 1.39 O ATOM 497 CB GLU A 33 19.928 11.283 2.467 1.00 1.48 C ATOM 498 CG GLU A 33 20.818 11.807 3.578 1.00 1.99 C ATOM 499 CD GLU A 33 22.097 12.421 3.054 1.00 2.43 C ATOM 500 OE1 GLU A 33 22.921 11.679 2.481 1.00 2.83 O ATOM 501 OE2 GLU A 33 22.279 13.651 3.204 1.00 2.96 O ATOM 0 H GLU A 33 18.327 10.108 0.963 1.00 1.09 H new ATOM 0 HA GLU A 33 18.868 9.991 3.807 1.00 1.26 H new ATOM 0 HB2 GLU A 33 20.484 10.549 1.884 1.00 1.48 H new ATOM 0 HB3 GLU A 33 19.681 12.104 1.794 1.00 1.48 H new ATOM 0 HG2 GLU A 33 20.271 12.552 4.156 1.00 1.99 H new ATOM 0 HG3 GLU A 33 21.062 10.991 4.259 1.00 1.99 H new ATOM 508 N ASP A 34 16.691 12.050 2.604 1.00 1.12 N ATOM 509 CA ASP A 34 15.750 13.133 2.891 1.00 1.23 C ATOM 510 C ASP A 34 14.620 12.647 3.793 1.00 1.17 C ATOM 511 O ASP A 34 13.908 13.443 4.403 1.00 1.38 O ATOM 512 CB ASP A 34 15.181 13.700 1.591 1.00 1.33 C ATOM 513 CG ASP A 34 14.358 14.957 1.807 1.00 1.71 C ATOM 514 OD1 ASP A 34 14.932 15.980 2.234 1.00 2.14 O ATOM 515 OD2 ASP A 34 13.141 14.936 1.527 1.00 2.22 O ATOM 0 H ASP A 34 16.542 11.592 1.705 1.00 1.12 H new ATOM 0 HA ASP A 34 16.290 13.923 3.414 1.00 1.23 H new ATOM 0 HB2 ASP A 34 16.001 13.921 0.907 1.00 1.33 H new ATOM 0 HB3 ASP A 34 14.561 12.943 1.111 1.00 1.33 H new ATOM 520 N ILE A 35 14.479 11.333 3.898 1.00 0.97 N ATOM 521 CA ILE A 35 13.471 10.742 4.770 1.00 0.97 C ATOM 522 C ILE A 35 14.104 10.345 6.099 1.00 1.02 C ATOM 523 O ILE A 35 13.529 9.587 6.876 1.00 1.09 O ATOM 524 CB ILE A 35 12.800 9.512 4.118 1.00 0.88 C ATOM 525 CG1 ILE A 35 13.843 8.442 3.770 1.00 0.78 C ATOM 526 CG2 ILE A 35 12.024 9.937 2.876 1.00 0.95 C ATOM 527 CD1 ILE A 35 13.264 7.215 3.099 1.00 0.82 C ATOM 0 H ILE A 35 15.049 10.656 3.391 1.00 0.97 H new ATOM 0 HA ILE A 35 12.698 11.491 4.941 1.00 0.97 H new ATOM 0 HB ILE A 35 12.102 9.077 4.833 1.00 0.88 H new ATOM 0 HG12 ILE A 35 14.595 8.881 3.115 1.00 0.78 H new ATOM 0 HG13 ILE A 35 14.355 8.137 4.683 1.00 0.78 H new ATOM 0 HG21 ILE A 35 11.555 9.063 2.424 1.00 0.95 H new ATOM 0 HG22 ILE A 35 11.256 10.658 3.156 1.00 0.95 H new ATOM 0 HG23 ILE A 35 12.706 10.394 2.159 1.00 0.95 H new ATOM 0 HD11 ILE A 35 14.064 6.506 2.885 1.00 0.82 H new ATOM 0 HD12 ILE A 35 12.533 6.749 3.760 1.00 0.82 H new ATOM 0 HD13 ILE A 35 12.777 7.505 2.168 1.00 0.82 H new ATOM 539 N GLY A 36 15.317 10.848 6.332 1.00 1.08 N ATOM 540 CA GLY A 36 15.973 10.691 7.622 1.00 1.25 C ATOM 541 C GLY A 36 16.487 9.288 7.893 1.00 1.17 C ATOM 542 O GLY A 36 17.320 9.092 8.777 1.00 1.40 O ATOM 0 H GLY A 36 15.861 11.366 5.642 1.00 1.08 H new ATOM 0 HA2 GLY A 36 16.808 11.389 7.680 1.00 1.25 H new ATOM 0 HA3 GLY A 36 15.272 10.967 8.409 1.00 1.25 H new ATOM 546 N GLY A 37 16.005 8.311 7.142 1.00 0.97 N ATOM 547 CA GLY A 37 16.352 6.934 7.429 1.00 0.96 C ATOM 548 C GLY A 37 15.621 6.431 8.656 1.00 0.88 C ATOM 549 O GLY A 37 16.174 5.679 9.460 1.00 1.05 O ATOM 0 H GLY A 37 15.384 8.444 6.344 1.00 0.97 H new ATOM 0 HA2 GLY A 37 16.104 6.307 6.572 1.00 0.96 H new ATOM 0 HA3 GLY A 37 17.428 6.852 7.584 1.00 0.96 H new ATOM 553 N LEU A 38 14.372 6.856 8.791 1.00 0.77 N ATOM 554 CA LEU A 38 13.548 6.486 9.931 1.00 0.83 C ATOM 555 C LEU A 38 12.889 5.139 9.667 1.00 0.66 C ATOM 556 O LEU A 38 12.823 4.701 8.517 1.00 0.67 O ATOM 557 CB LEU A 38 12.501 7.583 10.190 1.00 1.06 C ATOM 558 CG LEU A 38 11.652 8.007 8.982 1.00 1.05 C ATOM 559 CD1 LEU A 38 10.464 7.076 8.792 1.00 1.72 C ATOM 560 CD2 LEU A 38 11.183 9.447 9.135 1.00 1.20 C ATOM 0 H LEU A 38 13.905 7.463 8.117 1.00 0.77 H new ATOM 0 HA LEU A 38 14.167 6.392 10.823 1.00 0.83 H new ATOM 0 HB2 LEU A 38 11.830 7.238 10.976 1.00 1.06 H new ATOM 0 HB3 LEU A 38 13.015 8.464 10.574 1.00 1.06 H new ATOM 0 HG LEU A 38 12.278 7.939 8.092 1.00 1.05 H new ATOM 0 HD11 LEU A 38 9.881 7.401 7.930 1.00 1.72 H new ATOM 0 HD12 LEU A 38 10.821 6.060 8.627 1.00 1.72 H new ATOM 0 HD13 LEU A 38 9.837 7.100 9.683 1.00 1.72 H new ATOM 0 HD21 LEU A 38 10.583 9.728 8.269 1.00 1.20 H new ATOM 0 HD22 LEU A 38 10.581 9.539 10.039 1.00 1.20 H new ATOM 0 HD23 LEU A 38 12.048 10.106 9.206 1.00 1.20 H new ATOM 572 N ARG A 39 12.413 4.479 10.717 1.00 0.68 N ATOM 573 CA ARG A 39 11.822 3.156 10.557 1.00 0.59 C ATOM 574 C ARG A 39 10.386 3.255 10.067 1.00 0.52 C ATOM 575 O ARG A 39 9.636 4.155 10.459 1.00 0.62 O ATOM 576 CB ARG A 39 11.867 2.332 11.852 1.00 0.66 C ATOM 577 CG ARG A 39 10.937 2.820 12.949 1.00 0.76 C ATOM 578 CD ARG A 39 10.608 1.699 13.921 1.00 1.12 C ATOM 579 NE ARG A 39 11.808 1.115 14.523 1.00 2.00 N ATOM 580 CZ ARG A 39 12.004 -0.195 14.684 1.00 2.70 C ATOM 581 NH1 ARG A 39 11.042 -1.061 14.378 1.00 2.71 N ATOM 582 NH2 ARG A 39 13.158 -0.638 15.169 1.00 3.77 N ATOM 0 H ARG A 39 12.424 4.832 11.674 1.00 0.68 H new ATOM 0 HA ARG A 39 12.425 2.640 9.810 1.00 0.59 H new ATOM 0 HB2 ARG A 39 11.617 1.297 11.617 1.00 0.66 H new ATOM 0 HB3 ARG A 39 12.888 2.335 12.233 1.00 0.66 H new ATOM 0 HG2 ARG A 39 11.403 3.646 13.485 1.00 0.76 H new ATOM 0 HG3 ARG A 39 10.018 3.205 12.507 1.00 0.76 H new ATOM 0 HD2 ARG A 39 9.959 2.083 14.708 1.00 1.12 H new ATOM 0 HD3 ARG A 39 10.050 0.921 13.400 1.00 1.12 H new ATOM 0 HE ARG A 39 12.541 1.750 14.839 1.00 2.00 H new ATOM 0 HH11 ARG A 39 10.149 -0.725 14.018 1.00 2.71 H new ATOM 0 HH12 ARG A 39 11.198 -2.061 14.503 1.00 2.71 H new ATOM 0 HH21 ARG A 39 13.894 0.023 15.418 1.00 3.77 H new ATOM 0 HH22 ARG A 39 13.309 -1.639 15.292 1.00 3.77 H new ATOM 596 N SER A 40 10.023 2.328 9.203 1.00 0.45 N ATOM 597 CA SER A 40 8.683 2.248 8.665 1.00 0.50 C ATOM 598 C SER A 40 7.805 1.367 9.545 1.00 0.49 C ATOM 599 O SER A 40 8.303 0.558 10.327 1.00 0.48 O ATOM 600 CB SER A 40 8.750 1.687 7.244 1.00 0.56 C ATOM 601 OG SER A 40 9.630 0.576 7.182 1.00 0.50 O ATOM 0 H SER A 40 10.654 1.606 8.854 1.00 0.45 H new ATOM 0 HA SER A 40 8.242 3.244 8.642 1.00 0.50 H new ATOM 0 HB2 SER A 40 7.754 1.386 6.920 1.00 0.56 H new ATOM 0 HB3 SER A 40 9.088 2.463 6.557 1.00 0.56 H new ATOM 0 HG SER A 40 9.114 -0.254 7.252 1.00 0.50 H new ATOM 607 N SER A 41 6.498 1.528 9.415 1.00 0.59 N ATOM 608 CA SER A 41 5.564 0.694 10.142 1.00 0.68 C ATOM 609 C SER A 41 5.281 -0.559 9.331 1.00 0.65 C ATOM 610 O SER A 41 4.903 -0.476 8.160 1.00 0.66 O ATOM 611 CB SER A 41 4.266 1.461 10.415 1.00 0.85 C ATOM 612 OG SER A 41 3.408 0.730 11.273 1.00 1.54 O ATOM 0 H SER A 41 6.064 2.228 8.813 1.00 0.59 H new ATOM 0 HA SER A 41 5.998 0.412 11.101 1.00 0.68 H new ATOM 0 HB2 SER A 41 4.499 2.426 10.866 1.00 0.85 H new ATOM 0 HB3 SER A 41 3.756 1.664 9.473 1.00 0.85 H new ATOM 0 HG SER A 41 2.589 1.244 11.431 1.00 1.54 H new ATOM 618 N ALA A 42 5.504 -1.714 9.952 1.00 0.69 N ATOM 619 CA ALA A 42 5.337 -2.999 9.285 1.00 0.72 C ATOM 620 C ALA A 42 3.928 -3.157 8.725 1.00 0.63 C ATOM 621 O ALA A 42 2.962 -3.314 9.476 1.00 0.66 O ATOM 622 CB ALA A 42 5.662 -4.135 10.245 1.00 0.84 C ATOM 0 H ALA A 42 5.803 -1.784 10.925 1.00 0.69 H new ATOM 0 HA ALA A 42 6.031 -3.036 8.446 1.00 0.72 H new ATOM 0 HB1 ALA A 42 5.534 -5.090 9.735 1.00 0.84 H new ATOM 0 HB2 ALA A 42 6.693 -4.041 10.584 1.00 0.84 H new ATOM 0 HB3 ALA A 42 4.992 -4.089 11.103 1.00 0.84 H new ATOM 628 N LEU A 43 3.821 -3.101 7.407 1.00 0.59 N ATOM 629 CA LEU A 43 2.552 -3.291 6.732 1.00 0.54 C ATOM 630 C LEU A 43 2.575 -4.602 5.960 1.00 0.45 C ATOM 631 O LEU A 43 2.932 -4.648 4.786 1.00 0.51 O ATOM 632 CB LEU A 43 2.260 -2.120 5.789 1.00 0.65 C ATOM 633 CG LEU A 43 0.906 -2.184 5.079 1.00 0.83 C ATOM 634 CD1 LEU A 43 -0.228 -2.248 6.092 1.00 1.42 C ATOM 635 CD2 LEU A 43 0.737 -0.987 4.160 1.00 1.42 C ATOM 0 H LEU A 43 4.607 -2.924 6.781 1.00 0.59 H new ATOM 0 HA LEU A 43 1.758 -3.330 7.478 1.00 0.54 H new ATOM 0 HB2 LEU A 43 2.311 -1.192 6.359 1.00 0.65 H new ATOM 0 HB3 LEU A 43 3.047 -2.075 5.036 1.00 0.65 H new ATOM 0 HG LEU A 43 0.873 -3.091 4.475 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -1.182 -2.293 5.567 1.00 1.42 H new ATOM 0 HD12 LEU A 43 -0.112 -3.137 6.712 1.00 1.42 H new ATOM 0 HD13 LEU A 43 -0.202 -1.360 6.723 1.00 1.42 H new ATOM 0 HD21 LEU A 43 -0.230 -1.045 3.661 1.00 1.42 H new ATOM 0 HD22 LEU A 43 0.789 -0.069 4.745 1.00 1.42 H new ATOM 0 HD23 LEU A 43 1.531 -0.987 3.413 1.00 1.42 H new ATOM 647 N LYS A 44 2.215 -5.673 6.642 1.00 0.43 N ATOM 648 CA LYS A 44 2.236 -6.994 6.048 1.00 0.43 C ATOM 649 C LYS A 44 0.827 -7.569 5.972 1.00 0.41 C ATOM 650 O LYS A 44 0.157 -7.744 6.986 1.00 0.50 O ATOM 651 CB LYS A 44 3.182 -7.902 6.843 1.00 0.61 C ATOM 652 CG LYS A 44 2.977 -7.839 8.354 1.00 0.88 C ATOM 653 CD LYS A 44 4.011 -8.667 9.104 1.00 1.15 C ATOM 654 CE LYS A 44 3.775 -10.162 8.941 1.00 1.77 C ATOM 655 NZ LYS A 44 2.506 -10.600 9.582 1.00 2.43 N ATOM 0 H LYS A 44 1.903 -5.652 7.613 1.00 0.43 H new ATOM 0 HA LYS A 44 2.611 -6.927 5.027 1.00 0.43 H new ATOM 0 HB2 LYS A 44 3.046 -8.931 6.511 1.00 0.61 H new ATOM 0 HB3 LYS A 44 4.211 -7.626 6.614 1.00 0.61 H new ATOM 0 HG2 LYS A 44 3.034 -6.802 8.685 1.00 0.88 H new ATOM 0 HG3 LYS A 44 1.978 -8.198 8.600 1.00 0.88 H new ATOM 0 HD2 LYS A 44 5.008 -8.416 8.741 1.00 1.15 H new ATOM 0 HD3 LYS A 44 3.983 -8.409 10.163 1.00 1.15 H new ATOM 0 HE2 LYS A 44 3.750 -10.411 7.880 1.00 1.77 H new ATOM 0 HE3 LYS A 44 4.610 -10.710 9.378 1.00 1.77 H new ATOM 0 HZ1 LYS A 44 2.503 -11.636 9.674 1.00 2.43 H new ATOM 0 HZ2 LYS A 44 2.426 -10.169 10.525 1.00 2.43 H new ATOM 0 HZ3 LYS A 44 1.700 -10.302 8.996 1.00 2.43 H new ATOM 669 N GLY A 45 0.375 -7.815 4.756 1.00 0.37 N ATOM 670 CA GLY A 45 -0.955 -8.344 4.540 1.00 0.37 C ATOM 671 C GLY A 45 -1.292 -8.391 3.068 1.00 0.33 C ATOM 672 O GLY A 45 -0.400 -8.280 2.229 1.00 0.34 O ATOM 0 H GLY A 45 0.912 -7.656 3.903 1.00 0.37 H new ATOM 0 HA2 GLY A 45 -1.024 -9.346 4.964 1.00 0.37 H new ATOM 0 HA3 GLY A 45 -1.685 -7.726 5.063 1.00 0.37 H new ATOM 676 N ARG A 46 -2.566 -8.531 2.739 1.00 0.35 N ATOM 677 CA ARG A 46 -2.982 -8.578 1.343 1.00 0.36 C ATOM 678 C ARG A 46 -3.858 -7.377 1.027 1.00 0.34 C ATOM 679 O ARG A 46 -5.025 -7.341 1.407 1.00 0.48 O ATOM 680 CB ARG A 46 -3.753 -9.864 1.037 1.00 0.49 C ATOM 681 CG ARG A 46 -3.951 -10.099 -0.453 1.00 0.97 C ATOM 682 CD ARG A 46 -5.070 -11.088 -0.720 1.00 1.13 C ATOM 683 NE ARG A 46 -6.383 -10.519 -0.421 1.00 1.77 N ATOM 684 CZ ARG A 46 -7.408 -11.208 0.066 1.00 2.26 C ATOM 685 NH1 ARG A 46 -7.275 -12.495 0.375 1.00 2.15 N ATOM 686 NH2 ARG A 46 -8.569 -10.593 0.253 1.00 3.27 N ATOM 0 H ARG A 46 -3.327 -8.614 3.413 1.00 0.35 H new ATOM 0 HA ARG A 46 -2.086 -8.558 0.723 1.00 0.36 H new ATOM 0 HB2 ARG A 46 -3.218 -10.712 1.465 1.00 0.49 H new ATOM 0 HB3 ARG A 46 -4.727 -9.822 1.525 1.00 0.49 H new ATOM 0 HG2 ARG A 46 -4.177 -9.152 -0.944 1.00 0.97 H new ATOM 0 HG3 ARG A 46 -3.024 -10.471 -0.889 1.00 0.97 H new ATOM 0 HD2 ARG A 46 -5.038 -11.399 -1.764 1.00 1.13 H new ATOM 0 HD3 ARG A 46 -4.916 -11.982 -0.116 1.00 1.13 H new ATOM 0 HE ARG A 46 -6.521 -9.524 -0.599 1.00 1.77 H new ATOM 0 HH11 ARG A 46 -6.379 -12.962 0.238 1.00 2.15 H new ATOM 0 HH12 ARG A 46 -8.069 -13.015 0.749 1.00 2.15 H new ATOM 0 HH21 ARG A 46 -8.665 -9.604 0.023 1.00 3.27 H new ATOM 0 HH22 ARG A 46 -9.365 -11.109 0.626 1.00 3.27 H new ATOM 700 N HIS A 47 -3.295 -6.388 0.353 1.00 0.32 N ATOM 701 CA HIS A 47 -4.039 -5.175 0.038 1.00 0.45 C ATOM 702 C HIS A 47 -3.674 -4.649 -1.342 1.00 0.43 C ATOM 703 O HIS A 47 -2.745 -5.145 -1.981 1.00 0.46 O ATOM 704 CB HIS A 47 -3.791 -4.081 1.084 1.00 0.68 C ATOM 705 CG HIS A 47 -4.340 -4.395 2.440 1.00 1.01 C ATOM 706 ND1 HIS A 47 -5.687 -4.546 2.691 1.00 1.79 N ATOM 707 CD2 HIS A 47 -3.714 -4.590 3.626 1.00 1.21 C ATOM 708 CE1 HIS A 47 -5.865 -4.818 3.971 1.00 1.98 C ATOM 709 NE2 HIS A 47 -4.685 -4.849 4.557 1.00 1.57 N ATOM 0 H HIS A 47 -2.333 -6.398 0.015 1.00 0.32 H new ATOM 0 HA HIS A 47 -5.097 -5.438 0.048 1.00 0.45 H new ATOM 0 HB2 HIS A 47 -2.718 -3.912 1.169 1.00 0.68 H new ATOM 0 HB3 HIS A 47 -4.234 -3.149 0.732 1.00 0.68 H new ATOM 0 HD2 HIS A 47 -2.650 -4.549 3.804 1.00 1.21 H new ATOM 0 HE1 HIS A 47 -6.816 -4.986 4.455 1.00 1.98 H new ATOM 0 HE2 HIS A 47 -4.521 -5.036 5.546 1.00 1.57 H new ATOM 718 N ASP A 48 -4.421 -3.648 -1.787 1.00 0.47 N ATOM 719 CA ASP A 48 -4.158 -2.990 -3.061 1.00 0.55 C ATOM 720 C ASP A 48 -2.909 -2.127 -2.960 1.00 0.48 C ATOM 721 O ASP A 48 -2.454 -1.824 -1.855 1.00 0.44 O ATOM 722 CB ASP A 48 -5.337 -2.099 -3.469 1.00 0.70 C ATOM 723 CG ASP A 48 -6.634 -2.856 -3.639 1.00 1.20 C ATOM 724 OD1 ASP A 48 -6.900 -3.343 -4.759 1.00 1.80 O ATOM 725 OD2 ASP A 48 -7.384 -2.980 -2.651 1.00 1.86 O ATOM 0 H ASP A 48 -5.221 -3.271 -1.280 1.00 0.47 H new ATOM 0 HA ASP A 48 -4.015 -3.767 -3.812 1.00 0.55 H new ATOM 0 HB2 ASP A 48 -5.474 -1.324 -2.715 1.00 0.70 H new ATOM 0 HB3 ASP A 48 -5.094 -1.595 -4.404 1.00 0.70 H new ATOM 730 N LEU A 49 -2.366 -1.720 -4.095 1.00 0.50 N ATOM 731 CA LEU A 49 -1.215 -0.827 -4.105 1.00 0.51 C ATOM 732 C LEU A 49 -1.569 0.487 -3.421 1.00 0.42 C ATOM 733 O LEU A 49 -0.954 0.872 -2.423 1.00 0.43 O ATOM 734 CB LEU A 49 -0.758 -0.561 -5.543 1.00 0.61 C ATOM 735 CG LEU A 49 0.410 0.419 -5.687 1.00 0.73 C ATOM 736 CD1 LEU A 49 1.670 -0.143 -5.049 1.00 1.16 C ATOM 737 CD2 LEU A 49 0.651 0.746 -7.151 1.00 1.18 C ATOM 0 H LEU A 49 -2.701 -1.991 -5.019 1.00 0.50 H new ATOM 0 HA LEU A 49 -0.399 -1.304 -3.561 1.00 0.51 H new ATOM 0 HB2 LEU A 49 -0.473 -1.510 -5.998 1.00 0.61 H new ATOM 0 HB3 LEU A 49 -1.605 -0.177 -6.111 1.00 0.61 H new ATOM 0 HG LEU A 49 0.149 1.340 -5.166 1.00 0.73 H new ATOM 0 HD11 LEU A 49 2.486 0.571 -5.164 1.00 1.16 H new ATOM 0 HD12 LEU A 49 1.492 -0.323 -3.989 1.00 1.16 H new ATOM 0 HD13 LEU A 49 1.937 -1.081 -5.536 1.00 1.16 H new ATOM 0 HD21 LEU A 49 1.484 1.444 -7.236 1.00 1.18 H new ATOM 0 HD22 LEU A 49 0.887 -0.169 -7.694 1.00 1.18 H new ATOM 0 HD23 LEU A 49 -0.245 1.198 -7.575 1.00 1.18 H new ATOM 749 N GLN A 50 -2.589 1.149 -3.952 1.00 0.41 N ATOM 750 CA GLN A 50 -3.047 2.430 -3.424 1.00 0.42 C ATOM 751 C GLN A 50 -3.533 2.291 -1.985 1.00 0.39 C ATOM 752 O GLN A 50 -3.370 3.205 -1.174 1.00 0.41 O ATOM 753 CB GLN A 50 -4.164 2.986 -4.304 1.00 0.52 C ATOM 754 CG GLN A 50 -3.717 3.287 -5.725 1.00 1.21 C ATOM 755 CD GLN A 50 -4.881 3.561 -6.652 1.00 1.67 C ATOM 756 OE1 GLN A 50 -5.930 4.045 -6.226 1.00 2.15 O ATOM 757 NE2 GLN A 50 -4.705 3.250 -7.924 1.00 2.39 N ATOM 0 H GLN A 50 -3.120 0.816 -4.757 1.00 0.41 H new ATOM 0 HA GLN A 50 -2.205 3.122 -3.430 1.00 0.42 H new ATOM 0 HB2 GLN A 50 -4.985 2.269 -4.333 1.00 0.52 H new ATOM 0 HB3 GLN A 50 -4.553 3.898 -3.852 1.00 0.52 H new ATOM 0 HG2 GLN A 50 -3.051 4.150 -5.718 1.00 1.21 H new ATOM 0 HG3 GLN A 50 -3.142 2.444 -6.108 1.00 1.21 H new ATOM 0 HE21 GLN A 50 -3.819 2.851 -8.234 1.00 2.39 H new ATOM 0 HE22 GLN A 50 -5.455 3.409 -8.596 1.00 2.39 H new ATOM 766 N SER A 51 -4.130 1.148 -1.675 1.00 0.41 N ATOM 767 CA SER A 51 -4.595 0.865 -0.326 1.00 0.46 C ATOM 768 C SER A 51 -3.416 0.846 0.647 1.00 0.41 C ATOM 769 O SER A 51 -3.445 1.508 1.684 1.00 0.43 O ATOM 770 CB SER A 51 -5.342 -0.474 -0.305 1.00 0.57 C ATOM 771 OG SER A 51 -5.838 -0.790 0.983 1.00 1.33 O ATOM 0 H SER A 51 -4.304 0.398 -2.345 1.00 0.41 H new ATOM 0 HA SER A 51 -5.281 1.651 -0.011 1.00 0.46 H new ATOM 0 HB2 SER A 51 -6.170 -0.437 -1.012 1.00 0.57 H new ATOM 0 HB3 SER A 51 -4.673 -1.267 -0.639 1.00 0.57 H new ATOM 0 HG SER A 51 -6.308 -1.649 0.951 1.00 1.33 H new ATOM 777 N SER A 52 -2.376 0.100 0.292 1.00 0.40 N ATOM 778 CA SER A 52 -1.175 0.013 1.108 1.00 0.43 C ATOM 779 C SER A 52 -0.506 1.381 1.251 1.00 0.41 C ATOM 780 O SER A 52 -0.067 1.753 2.341 1.00 0.45 O ATOM 781 CB SER A 52 -0.208 -0.997 0.497 1.00 0.49 C ATOM 782 OG SER A 52 -0.856 -2.244 0.298 1.00 1.21 O ATOM 0 H SER A 52 -2.343 -0.456 -0.562 1.00 0.40 H new ATOM 0 HA SER A 52 -1.457 -0.323 2.106 1.00 0.43 H new ATOM 0 HB2 SER A 52 0.169 -0.620 -0.454 1.00 0.49 H new ATOM 0 HB3 SER A 52 0.653 -1.128 1.152 1.00 0.49 H new ATOM 0 HG SER A 52 -1.375 -2.214 -0.533 1.00 1.21 H new ATOM 788 N LEU A 53 -0.442 2.131 0.148 1.00 0.39 N ATOM 789 CA LEU A 53 0.129 3.477 0.163 1.00 0.41 C ATOM 790 C LEU A 53 -0.592 4.359 1.177 1.00 0.40 C ATOM 791 O LEU A 53 0.039 5.085 1.943 1.00 0.46 O ATOM 792 CB LEU A 53 0.041 4.119 -1.226 1.00 0.44 C ATOM 793 CG LEU A 53 0.859 3.435 -2.326 1.00 0.51 C ATOM 794 CD1 LEU A 53 0.585 4.092 -3.669 1.00 0.70 C ATOM 795 CD2 LEU A 53 2.344 3.489 -2.005 1.00 0.56 C ATOM 0 H LEU A 53 -0.779 1.828 -0.766 1.00 0.39 H new ATOM 0 HA LEU A 53 1.177 3.390 0.449 1.00 0.41 H new ATOM 0 HB2 LEU A 53 -1.005 4.135 -1.533 1.00 0.44 H new ATOM 0 HB3 LEU A 53 0.367 5.156 -1.148 1.00 0.44 H new ATOM 0 HG LEU A 53 0.558 2.389 -2.378 1.00 0.51 H new ATOM 0 HD11 LEU A 53 1.172 3.597 -4.443 1.00 0.70 H new ATOM 0 HD12 LEU A 53 -0.475 4.005 -3.907 1.00 0.70 H new ATOM 0 HD13 LEU A 53 0.861 5.145 -3.622 1.00 0.70 H new ATOM 0 HD21 LEU A 53 2.906 2.998 -2.799 1.00 0.56 H new ATOM 0 HD22 LEU A 53 2.662 4.529 -1.926 1.00 0.56 H new ATOM 0 HD23 LEU A 53 2.531 2.979 -1.060 1.00 0.56 H new ATOM 807 N ARG A 54 -1.916 4.278 1.180 1.00 0.38 N ATOM 808 CA ARG A 54 -2.734 5.056 2.099 1.00 0.43 C ATOM 809 C ARG A 54 -2.403 4.720 3.550 1.00 0.42 C ATOM 810 O ARG A 54 -2.216 5.613 4.370 1.00 0.48 O ATOM 811 CB ARG A 54 -4.221 4.810 1.824 1.00 0.51 C ATOM 812 CG ARG A 54 -5.153 5.463 2.836 1.00 1.10 C ATOM 813 CD ARG A 54 -6.614 5.289 2.446 1.00 1.31 C ATOM 814 NE ARG A 54 -6.991 3.879 2.290 1.00 1.87 N ATOM 815 CZ ARG A 54 -7.771 3.426 1.307 1.00 2.48 C ATOM 816 NH1 ARG A 54 -8.228 4.262 0.376 1.00 2.70 N ATOM 817 NH2 ARG A 54 -8.092 2.136 1.251 1.00 3.38 N ATOM 0 H ARG A 54 -2.449 3.677 0.551 1.00 0.38 H new ATOM 0 HA ARG A 54 -2.513 6.111 1.937 1.00 0.43 H new ATOM 0 HB2 ARG A 54 -4.463 5.183 0.829 1.00 0.51 H new ATOM 0 HB3 ARG A 54 -4.406 3.736 1.815 1.00 0.51 H new ATOM 0 HG2 ARG A 54 -4.984 5.027 3.821 1.00 1.10 H new ATOM 0 HG3 ARG A 54 -4.920 6.525 2.913 1.00 1.10 H new ATOM 0 HD2 ARG A 54 -7.246 5.749 3.205 1.00 1.31 H new ATOM 0 HD3 ARG A 54 -6.803 5.818 1.512 1.00 1.31 H new ATOM 0 HE ARG A 54 -6.637 3.208 2.971 1.00 1.87 H new ATOM 0 HH11 ARG A 54 -7.982 5.251 0.414 1.00 2.70 H new ATOM 0 HH12 ARG A 54 -8.824 3.913 -0.374 1.00 2.70 H new ATOM 0 HH21 ARG A 54 -7.742 1.492 1.960 1.00 3.38 H new ATOM 0 HH22 ARG A 54 -8.688 1.791 0.499 1.00 3.38 H new ATOM 831 N ILE A 55 -2.327 3.432 3.857 1.00 0.42 N ATOM 832 CA ILE A 55 -2.048 2.988 5.217 1.00 0.47 C ATOM 833 C ILE A 55 -0.655 3.421 5.673 1.00 0.49 C ATOM 834 O ILE A 55 -0.489 3.956 6.768 1.00 0.59 O ATOM 835 CB ILE A 55 -2.167 1.453 5.341 1.00 0.56 C ATOM 836 CG1 ILE A 55 -3.544 0.984 4.858 1.00 0.59 C ATOM 837 CG2 ILE A 55 -1.935 1.017 6.785 1.00 0.66 C ATOM 838 CD1 ILE A 55 -3.681 -0.522 4.778 1.00 1.24 C ATOM 0 H ILE A 55 -2.454 2.676 3.184 1.00 0.42 H new ATOM 0 HA ILE A 55 -2.793 3.458 5.859 1.00 0.47 H new ATOM 0 HB ILE A 55 -1.404 0.994 4.713 1.00 0.56 H new ATOM 0 HG12 ILE A 55 -4.307 1.374 5.531 1.00 0.59 H new ATOM 0 HG13 ILE A 55 -3.739 1.410 3.874 1.00 0.59 H new ATOM 0 HG21 ILE A 55 -2.022 -0.067 6.856 1.00 0.66 H new ATOM 0 HG22 ILE A 55 -0.938 1.322 7.102 1.00 0.66 H new ATOM 0 HG23 ILE A 55 -2.679 1.484 7.430 1.00 0.66 H new ATOM 0 HD11 ILE A 55 -4.681 -0.778 4.429 1.00 1.24 H new ATOM 0 HD12 ILE A 55 -2.941 -0.918 4.082 1.00 1.24 H new ATOM 0 HD13 ILE A 55 -3.519 -0.955 5.765 1.00 1.24 H new ATOM 850 N LEU A 56 0.339 3.202 4.826 1.00 0.45 N ATOM 851 CA LEU A 56 1.723 3.494 5.181 1.00 0.52 C ATOM 852 C LEU A 56 1.953 5.005 5.288 1.00 0.53 C ATOM 853 O LEU A 56 2.719 5.471 6.135 1.00 0.65 O ATOM 854 CB LEU A 56 2.666 2.883 4.137 1.00 0.57 C ATOM 855 CG LEU A 56 3.934 2.219 4.693 1.00 0.75 C ATOM 856 CD1 LEU A 56 4.707 1.540 3.576 1.00 1.04 C ATOM 857 CD2 LEU A 56 4.826 3.230 5.399 1.00 1.63 C ATOM 0 H LEU A 56 0.215 2.823 3.887 1.00 0.45 H new ATOM 0 HA LEU A 56 1.933 3.052 6.155 1.00 0.52 H new ATOM 0 HB2 LEU A 56 2.111 2.141 3.563 1.00 0.57 H new ATOM 0 HB3 LEU A 56 2.964 3.667 3.441 1.00 0.57 H new ATOM 0 HG LEU A 56 3.624 1.471 5.423 1.00 0.75 H new ATOM 0 HD11 LEU A 56 5.603 1.074 3.985 1.00 1.04 H new ATOM 0 HD12 LEU A 56 4.081 0.778 3.112 1.00 1.04 H new ATOM 0 HD13 LEU A 56 4.992 2.280 2.829 1.00 1.04 H new ATOM 0 HD21 LEU A 56 5.715 2.727 5.781 1.00 1.63 H new ATOM 0 HD22 LEU A 56 5.123 4.007 4.695 1.00 1.63 H new ATOM 0 HD23 LEU A 56 4.280 3.681 6.228 1.00 1.63 H new ATOM 869 N LEU A 57 1.282 5.773 4.437 1.00 0.51 N ATOM 870 CA LEU A 57 1.466 7.220 4.415 1.00 0.63 C ATOM 871 C LEU A 57 0.268 7.947 5.023 1.00 0.72 C ATOM 872 O LEU A 57 0.051 9.126 4.749 1.00 1.16 O ATOM 873 CB LEU A 57 1.710 7.720 2.984 1.00 0.80 C ATOM 874 CG LEU A 57 3.105 7.444 2.399 1.00 1.29 C ATOM 875 CD1 LEU A 57 3.308 5.964 2.110 1.00 1.68 C ATOM 876 CD2 LEU A 57 3.319 8.260 1.133 1.00 2.17 C ATOM 0 H LEU A 57 0.609 5.421 3.756 1.00 0.51 H new ATOM 0 HA LEU A 57 2.344 7.442 5.021 1.00 0.63 H new ATOM 0 HB2 LEU A 57 0.967 7.263 2.330 1.00 0.80 H new ATOM 0 HB3 LEU A 57 1.536 8.796 2.962 1.00 0.80 H new ATOM 0 HG LEU A 57 3.841 7.743 3.145 1.00 1.29 H new ATOM 0 HD11 LEU A 57 4.305 5.807 1.698 1.00 1.68 H new ATOM 0 HD12 LEU A 57 3.204 5.395 3.034 1.00 1.68 H new ATOM 0 HD13 LEU A 57 2.561 5.628 1.391 1.00 1.68 H new ATOM 0 HD21 LEU A 57 4.311 8.054 0.731 1.00 2.17 H new ATOM 0 HD22 LEU A 57 2.564 7.990 0.394 1.00 2.17 H new ATOM 0 HD23 LEU A 57 3.235 9.322 1.366 1.00 2.17 H new ATOM 888 N GLN A 58 -0.511 7.235 5.835 1.00 0.61 N ATOM 889 CA GLN A 58 -1.668 7.818 6.522 1.00 0.79 C ATOM 890 C GLN A 58 -1.306 9.092 7.294 1.00 1.05 C ATOM 891 O GLN A 58 -2.086 10.045 7.327 1.00 2.03 O ATOM 892 CB GLN A 58 -2.304 6.793 7.470 1.00 0.90 C ATOM 893 CG GLN A 58 -1.378 6.312 8.581 1.00 1.29 C ATOM 894 CD GLN A 58 -2.044 5.320 9.517 1.00 1.60 C ATOM 895 OE1 GLN A 58 -1.385 4.460 10.096 1.00 2.30 O ATOM 896 NE2 GLN A 58 -3.354 5.433 9.672 1.00 1.85 N ATOM 0 H GLN A 58 -0.362 6.246 6.036 1.00 0.61 H new ATOM 0 HA GLN A 58 -2.388 8.095 5.752 1.00 0.79 H new ATOM 0 HB2 GLN A 58 -3.194 7.233 7.919 1.00 0.90 H new ATOM 0 HB3 GLN A 58 -2.633 5.932 6.888 1.00 0.90 H new ATOM 0 HG2 GLN A 58 -0.496 5.850 8.137 1.00 1.29 H new ATOM 0 HG3 GLN A 58 -1.032 7.171 9.156 1.00 1.29 H new ATOM 0 HE21 GLN A 58 -3.866 6.161 9.173 1.00 1.85 H new ATOM 0 HE22 GLN A 58 -3.852 4.792 10.290 1.00 1.85 H new ATOM 905 N GLY A 59 -0.134 9.101 7.916 1.00 0.97 N ATOM 906 CA GLY A 59 0.287 10.257 8.683 1.00 1.28 C ATOM 907 C GLY A 59 1.769 10.236 8.987 1.00 1.13 C ATOM 908 O GLY A 59 2.199 10.699 10.045 1.00 1.42 O ATOM 0 H GLY A 59 0.532 8.329 7.903 1.00 0.97 H new ATOM 0 HA2 GLY A 59 0.045 11.165 8.130 1.00 1.28 H new ATOM 0 HA3 GLY A 59 -0.273 10.294 9.618 1.00 1.28 H new ATOM 912 N THR A 60 2.551 9.705 8.061 1.00 0.95 N ATOM 913 CA THR A 60 3.992 9.615 8.235 1.00 0.99 C ATOM 914 C THR A 60 4.695 10.873 7.741 1.00 1.06 C ATOM 915 O THR A 60 5.918 10.982 7.812 1.00 1.25 O ATOM 916 CB THR A 60 4.545 8.393 7.486 1.00 1.04 C ATOM 917 OG1 THR A 60 3.848 8.238 6.241 1.00 0.99 O ATOM 918 CG2 THR A 60 4.398 7.133 8.321 1.00 1.21 C ATOM 0 H THR A 60 2.210 9.328 7.177 1.00 0.95 H new ATOM 0 HA THR A 60 4.186 9.509 9.302 1.00 0.99 H new ATOM 0 HB THR A 60 5.606 8.553 7.295 1.00 1.04 H new ATOM 0 HG1 THR A 60 4.302 7.564 5.693 1.00 0.99 H new ATOM 0 HG21 THR A 60 4.797 6.282 7.769 1.00 1.21 H new ATOM 0 HG22 THR A 60 4.948 7.249 9.255 1.00 1.21 H new ATOM 0 HG23 THR A 60 3.344 6.962 8.539 1.00 1.21 H new ATOM 926 N GLY A 61 3.914 11.818 7.237 1.00 1.08 N ATOM 927 CA GLY A 61 4.471 13.074 6.782 1.00 1.32 C ATOM 928 C GLY A 61 4.947 12.999 5.350 1.00 1.26 C ATOM 929 O GLY A 61 5.486 13.969 4.810 1.00 1.35 O ATOM 0 H GLY A 61 2.902 11.736 7.135 1.00 1.08 H new ATOM 0 HA2 GLY A 61 3.719 13.858 6.873 1.00 1.32 H new ATOM 0 HA3 GLY A 61 5.304 13.355 7.426 1.00 1.32 H new ATOM 933 N LEU A 62 4.753 11.842 4.732 1.00 1.16 N ATOM 934 CA LEU A 62 5.132 11.646 3.347 1.00 1.11 C ATOM 935 C LEU A 62 3.910 11.782 2.451 1.00 1.07 C ATOM 936 O LEU A 62 2.789 11.489 2.867 1.00 1.14 O ATOM 937 CB LEU A 62 5.751 10.258 3.157 1.00 1.10 C ATOM 938 CG LEU A 62 6.978 9.960 4.021 1.00 1.19 C ATOM 939 CD1 LEU A 62 7.435 8.526 3.815 1.00 1.23 C ATOM 940 CD2 LEU A 62 8.106 10.926 3.700 1.00 1.28 C ATOM 0 H LEU A 62 4.333 11.024 5.174 1.00 1.16 H new ATOM 0 HA LEU A 62 5.867 12.404 3.077 1.00 1.11 H new ATOM 0 HB2 LEU A 62 4.989 9.508 3.368 1.00 1.10 H new ATOM 0 HB3 LEU A 62 6.030 10.144 2.109 1.00 1.10 H new ATOM 0 HG LEU A 62 6.701 10.090 5.067 1.00 1.19 H new ATOM 0 HD11 LEU A 62 8.309 8.330 4.437 1.00 1.23 H new ATOM 0 HD12 LEU A 62 6.631 7.844 4.093 1.00 1.23 H new ATOM 0 HD13 LEU A 62 7.694 8.373 2.767 1.00 1.23 H new ATOM 0 HD21 LEU A 62 8.969 10.698 4.325 1.00 1.28 H new ATOM 0 HD22 LEU A 62 8.382 10.828 2.650 1.00 1.28 H new ATOM 0 HD23 LEU A 62 7.777 11.947 3.895 1.00 1.28 H new ATOM 952 N ARG A 63 4.132 12.229 1.233 1.00 1.01 N ATOM 953 CA ARG A 63 3.064 12.352 0.254 1.00 1.03 C ATOM 954 C ARG A 63 3.343 11.448 -0.931 1.00 0.92 C ATOM 955 O ARG A 63 4.483 11.355 -1.390 1.00 0.87 O ATOM 956 CB ARG A 63 2.938 13.794 -0.226 1.00 1.15 C ATOM 957 CG ARG A 63 2.453 14.765 0.834 1.00 1.51 C ATOM 958 CD ARG A 63 2.596 16.199 0.356 1.00 1.78 C ATOM 959 NE ARG A 63 1.968 16.407 -0.948 1.00 2.51 N ATOM 960 CZ ARG A 63 2.520 17.119 -1.932 1.00 3.28 C ATOM 961 NH1 ARG A 63 3.696 17.712 -1.750 1.00 3.53 N ATOM 962 NH2 ARG A 63 1.899 17.228 -3.099 1.00 4.21 N ATOM 0 H ARG A 63 5.049 12.516 0.892 1.00 1.01 H new ATOM 0 HA ARG A 63 2.128 12.056 0.728 1.00 1.03 H new ATOM 0 HB2 ARG A 63 3.909 14.129 -0.592 1.00 1.15 H new ATOM 0 HB3 ARG A 63 2.251 13.824 -1.072 1.00 1.15 H new ATOM 0 HG2 ARG A 63 1.410 14.559 1.073 1.00 1.51 H new ATOM 0 HG3 ARG A 63 3.024 14.624 1.752 1.00 1.51 H new ATOM 0 HD2 ARG A 63 2.146 16.871 1.086 1.00 1.78 H new ATOM 0 HD3 ARG A 63 3.653 16.457 0.294 1.00 1.78 H new ATOM 0 HE ARG A 63 1.055 15.983 -1.115 1.00 2.51 H new ATOM 0 HH11 ARG A 63 4.179 17.623 -0.856 1.00 3.53 H new ATOM 0 HH12 ARG A 63 4.115 18.256 -2.504 1.00 3.53 H new ATOM 0 HH21 ARG A 63 1.000 16.768 -3.243 1.00 4.21 H new ATOM 0 HH22 ARG A 63 2.320 17.772 -3.852 1.00 4.21 H new ATOM 976 N TYR A 64 2.310 10.783 -1.422 1.00 0.96 N ATOM 977 CA TYR A 64 2.469 9.899 -2.565 1.00 0.91 C ATOM 978 C TYR A 64 1.938 10.548 -3.837 1.00 0.89 C ATOM 979 O TYR A 64 0.758 10.885 -3.944 1.00 0.94 O ATOM 980 CB TYR A 64 1.807 8.529 -2.322 1.00 0.92 C ATOM 981 CG TYR A 64 0.332 8.575 -1.969 1.00 0.97 C ATOM 982 CD1 TYR A 64 -0.086 8.832 -0.669 1.00 1.02 C ATOM 983 CD2 TYR A 64 -0.639 8.346 -2.937 1.00 1.06 C ATOM 984 CE1 TYR A 64 -1.429 8.860 -0.346 1.00 1.14 C ATOM 985 CE2 TYR A 64 -1.983 8.376 -2.621 1.00 1.18 C ATOM 986 CZ TYR A 64 -2.372 8.635 -1.325 1.00 1.20 C ATOM 987 OH TYR A 64 -3.711 8.661 -1.008 1.00 1.37 O ATOM 0 H TYR A 64 1.361 10.837 -1.051 1.00 0.96 H new ATOM 0 HA TYR A 64 3.537 9.725 -2.696 1.00 0.91 H new ATOM 0 HB2 TYR A 64 1.931 7.920 -3.218 1.00 0.92 H new ATOM 0 HB3 TYR A 64 2.341 8.024 -1.517 1.00 0.92 H new ATOM 0 HD1 TYR A 64 0.650 9.013 0.100 1.00 1.02 H new ATOM 0 HD2 TYR A 64 -0.337 8.141 -3.954 1.00 1.06 H new ATOM 0 HE1 TYR A 64 -1.738 9.057 0.670 1.00 1.14 H new ATOM 0 HE2 TYR A 64 -2.725 8.197 -3.385 1.00 1.18 H new ATOM 0 HH TYR A 64 -4.241 8.484 -1.813 1.00 1.37 H new ATOM 997 N GLN A 65 2.835 10.756 -4.781 1.00 0.90 N ATOM 998 CA GLN A 65 2.476 11.247 -6.100 1.00 0.93 C ATOM 999 C GLN A 65 2.618 10.122 -7.115 1.00 0.87 C ATOM 1000 O GLN A 65 3.723 9.648 -7.371 1.00 0.86 O ATOM 1001 CB GLN A 65 3.373 12.428 -6.476 1.00 1.03 C ATOM 1002 CG GLN A 65 3.202 12.914 -7.905 1.00 1.59 C ATOM 1003 CD GLN A 65 4.154 14.042 -8.247 1.00 2.07 C ATOM 1004 OE1 GLN A 65 3.829 15.216 -8.079 1.00 2.64 O ATOM 1005 NE2 GLN A 65 5.340 13.691 -8.721 1.00 2.63 N ATOM 0 H GLN A 65 3.834 10.590 -4.657 1.00 0.90 H new ATOM 0 HA GLN A 65 1.441 11.588 -6.095 1.00 0.93 H new ATOM 0 HB2 GLN A 65 3.168 13.255 -5.797 1.00 1.03 H new ATOM 0 HB3 GLN A 65 4.414 12.141 -6.324 1.00 1.03 H new ATOM 0 HG2 GLN A 65 3.366 12.083 -8.591 1.00 1.59 H new ATOM 0 HG3 GLN A 65 2.176 13.251 -8.051 1.00 1.59 H new ATOM 0 HE21 GLN A 65 5.568 12.705 -8.845 1.00 2.63 H new ATOM 0 HE22 GLN A 65 6.025 14.407 -8.962 1.00 2.63 H new ATOM 1014 N ILE A 66 1.508 9.685 -7.680 1.00 0.88 N ATOM 1015 CA ILE A 66 1.537 8.573 -8.613 1.00 0.86 C ATOM 1016 C ILE A 66 1.493 9.080 -10.053 1.00 0.98 C ATOM 1017 O ILE A 66 0.630 9.878 -10.428 1.00 1.11 O ATOM 1018 CB ILE A 66 0.391 7.564 -8.345 1.00 0.92 C ATOM 1019 CG1 ILE A 66 0.517 6.354 -9.278 1.00 1.02 C ATOM 1020 CG2 ILE A 66 -0.975 8.228 -8.488 1.00 1.28 C ATOM 1021 CD1 ILE A 66 -0.504 5.269 -9.017 1.00 1.13 C ATOM 0 H ILE A 66 0.582 10.079 -7.512 1.00 0.88 H new ATOM 0 HA ILE A 66 2.476 8.040 -8.461 1.00 0.86 H new ATOM 0 HB ILE A 66 0.478 7.215 -7.316 1.00 0.92 H new ATOM 0 HG12 ILE A 66 0.418 6.691 -10.310 1.00 1.02 H new ATOM 0 HG13 ILE A 66 1.516 5.931 -9.175 1.00 1.02 H new ATOM 0 HG21 ILE A 66 -1.758 7.495 -8.294 1.00 1.28 H new ATOM 0 HG22 ILE A 66 -1.059 9.046 -7.773 1.00 1.28 H new ATOM 0 HG23 ILE A 66 -1.086 8.618 -9.500 1.00 1.28 H new ATOM 0 HD11 ILE A 66 -0.349 4.448 -9.717 1.00 1.13 H new ATOM 0 HD12 ILE A 66 -0.392 4.902 -7.997 1.00 1.13 H new ATOM 0 HD13 ILE A 66 -1.507 5.674 -9.149 1.00 1.13 H new ATOM 1033 N ASP A 67 2.460 8.641 -10.838 1.00 1.04 N ATOM 1034 CA ASP A 67 2.580 9.049 -12.228 1.00 1.25 C ATOM 1035 C ASP A 67 2.851 7.833 -13.099 1.00 1.20 C ATOM 1036 O ASP A 67 3.975 7.337 -13.153 1.00 1.13 O ATOM 1037 CB ASP A 67 3.711 10.070 -12.382 1.00 1.45 C ATOM 1038 CG ASP A 67 3.899 10.517 -13.817 1.00 1.82 C ATOM 1039 OD1 ASP A 67 3.149 11.407 -14.275 1.00 2.29 O ATOM 1040 OD2 ASP A 67 4.788 9.975 -14.500 1.00 2.28 O ATOM 0 H ASP A 67 3.185 7.992 -10.531 1.00 1.04 H new ATOM 0 HA ASP A 67 1.646 9.513 -12.545 1.00 1.25 H new ATOM 0 HB2 ASP A 67 3.499 10.939 -11.759 1.00 1.45 H new ATOM 0 HB3 ASP A 67 4.641 9.635 -12.016 1.00 1.45 H new ATOM 1045 N GLY A 68 1.816 7.357 -13.775 1.00 1.28 N ATOM 1046 CA GLY A 68 1.935 6.146 -14.565 1.00 1.30 C ATOM 1047 C GLY A 68 2.328 4.947 -13.727 1.00 1.14 C ATOM 1048 O GLY A 68 1.512 4.412 -12.976 1.00 1.18 O ATOM 0 H GLY A 68 0.892 7.789 -13.791 1.00 1.28 H new ATOM 0 HA2 GLY A 68 0.986 5.944 -15.061 1.00 1.30 H new ATOM 0 HA3 GLY A 68 2.678 6.298 -15.348 1.00 1.30 H new ATOM 1052 N ASN A 69 3.582 4.532 -13.852 1.00 1.03 N ATOM 1053 CA ASN A 69 4.092 3.393 -13.096 1.00 0.94 C ATOM 1054 C ASN A 69 5.085 3.860 -12.043 1.00 0.75 C ATOM 1055 O ASN A 69 5.756 3.050 -11.398 1.00 0.69 O ATOM 1056 CB ASN A 69 4.772 2.385 -14.030 1.00 1.06 C ATOM 1057 CG ASN A 69 3.834 1.831 -15.085 1.00 1.67 C ATOM 1058 OD1 ASN A 69 3.706 2.390 -16.176 1.00 2.35 O ATOM 1059 ND2 ASN A 69 3.182 0.723 -14.771 1.00 2.29 N ATOM 0 H ASN A 69 4.266 4.967 -14.471 1.00 1.03 H new ATOM 0 HA ASN A 69 3.249 2.907 -12.605 1.00 0.94 H new ATOM 0 HB2 ASN A 69 5.619 2.866 -14.520 1.00 1.06 H new ATOM 0 HB3 ASN A 69 5.172 1.562 -13.438 1.00 1.06 H new ATOM 0 HD21 ASN A 69 2.544 0.299 -15.444 1.00 2.29 H new ATOM 0 HD22 ASN A 69 3.318 0.293 -13.856 1.00 2.29 H new ATOM 1066 N THR A 70 5.165 5.169 -11.867 1.00 0.74 N ATOM 1067 CA THR A 70 6.099 5.759 -10.927 1.00 0.68 C ATOM 1068 C THR A 70 5.373 6.312 -9.704 1.00 0.63 C ATOM 1069 O THR A 70 4.346 6.983 -9.819 1.00 0.71 O ATOM 1070 CB THR A 70 6.916 6.891 -11.588 1.00 0.85 C ATOM 1071 OG1 THR A 70 7.548 6.405 -12.780 1.00 0.97 O ATOM 1072 CG2 THR A 70 7.979 7.430 -10.638 1.00 0.89 C ATOM 0 H THR A 70 4.589 5.846 -12.368 1.00 0.74 H new ATOM 0 HA THR A 70 6.778 4.967 -10.611 1.00 0.68 H new ATOM 0 HB THR A 70 6.229 7.700 -11.836 1.00 0.85 H new ATOM 0 HG1 THR A 70 8.063 7.128 -13.195 1.00 0.97 H new ATOM 0 HG21 THR A 70 8.538 8.225 -11.131 1.00 0.89 H new ATOM 0 HG22 THR A 70 7.500 7.825 -9.742 1.00 0.89 H new ATOM 0 HG23 THR A 70 8.661 6.626 -10.361 1.00 0.89 H new ATOM 1080 N VAL A 71 5.913 6.013 -8.536 1.00 0.56 N ATOM 1081 CA VAL A 71 5.398 6.530 -7.285 1.00 0.58 C ATOM 1082 C VAL A 71 6.422 7.482 -6.691 1.00 0.57 C ATOM 1083 O VAL A 71 7.508 7.069 -6.295 1.00 0.57 O ATOM 1084 CB VAL A 71 5.097 5.400 -6.277 1.00 0.60 C ATOM 1085 CG1 VAL A 71 4.451 5.958 -5.017 1.00 0.68 C ATOM 1086 CG2 VAL A 71 4.215 4.331 -6.911 1.00 0.65 C ATOM 0 H VAL A 71 6.723 5.403 -8.430 1.00 0.56 H new ATOM 0 HA VAL A 71 4.461 7.049 -7.487 1.00 0.58 H new ATOM 0 HB VAL A 71 6.042 4.936 -5.995 1.00 0.60 H new ATOM 0 HG11 VAL A 71 4.248 5.144 -4.321 1.00 0.68 H new ATOM 0 HG12 VAL A 71 5.125 6.675 -4.549 1.00 0.68 H new ATOM 0 HG13 VAL A 71 3.516 6.455 -5.277 1.00 0.68 H new ATOM 0 HG21 VAL A 71 4.016 3.545 -6.183 1.00 0.65 H new ATOM 0 HG22 VAL A 71 3.273 4.778 -7.229 1.00 0.65 H new ATOM 0 HG23 VAL A 71 4.724 3.904 -7.775 1.00 0.65 H new ATOM 1096 N THR A 72 6.084 8.754 -6.635 1.00 0.63 N ATOM 1097 CA THR A 72 7.010 9.764 -6.167 1.00 0.66 C ATOM 1098 C THR A 72 6.687 10.142 -4.730 1.00 0.70 C ATOM 1099 O THR A 72 5.602 10.644 -4.440 1.00 0.78 O ATOM 1100 CB THR A 72 6.941 11.021 -7.052 1.00 0.75 C ATOM 1101 OG1 THR A 72 6.962 10.639 -8.434 1.00 0.76 O ATOM 1102 CG2 THR A 72 8.106 11.959 -6.761 1.00 0.80 C ATOM 0 H THR A 72 5.170 9.114 -6.909 1.00 0.63 H new ATOM 0 HA THR A 72 8.017 9.351 -6.219 1.00 0.66 H new ATOM 0 HB THR A 72 6.013 11.548 -6.829 1.00 0.75 H new ATOM 0 HG1 THR A 72 7.235 11.405 -8.981 1.00 0.76 H new ATOM 0 HG21 THR A 72 8.033 12.839 -7.400 1.00 0.80 H new ATOM 0 HG22 THR A 72 8.074 12.266 -5.716 1.00 0.80 H new ATOM 0 HG23 THR A 72 9.046 11.444 -6.959 1.00 0.80 H new ATOM 1110 N VAL A 73 7.623 9.877 -3.837 1.00 0.70 N ATOM 1111 CA VAL A 73 7.428 10.153 -2.426 1.00 0.76 C ATOM 1112 C VAL A 73 8.092 11.470 -2.055 1.00 0.90 C ATOM 1113 O VAL A 73 9.317 11.600 -2.106 1.00 1.01 O ATOM 1114 CB VAL A 73 7.998 9.020 -1.544 1.00 0.79 C ATOM 1115 CG1 VAL A 73 7.720 9.284 -0.069 1.00 0.89 C ATOM 1116 CG2 VAL A 73 7.431 7.673 -1.965 1.00 0.75 C ATOM 0 H VAL A 73 8.530 9.469 -4.066 1.00 0.70 H new ATOM 0 HA VAL A 73 6.355 10.219 -2.246 1.00 0.76 H new ATOM 0 HB VAL A 73 9.079 8.995 -1.684 1.00 0.79 H new ATOM 0 HG11 VAL A 73 8.132 8.472 0.530 1.00 0.89 H new ATOM 0 HG12 VAL A 73 8.185 10.224 0.226 1.00 0.89 H new ATOM 0 HG13 VAL A 73 6.644 9.345 0.093 1.00 0.89 H new ATOM 0 HG21 VAL A 73 7.846 6.889 -1.331 1.00 0.75 H new ATOM 0 HG22 VAL A 73 6.346 7.687 -1.862 1.00 0.75 H new ATOM 0 HG23 VAL A 73 7.694 7.476 -3.004 1.00 0.75 H new ATOM 1126 N THR A 74 7.279 12.452 -1.713 1.00 0.97 N ATOM 1127 CA THR A 74 7.783 13.740 -1.277 1.00 1.15 C ATOM 1128 C THR A 74 7.507 13.929 0.213 1.00 1.11 C ATOM 1129 O THR A 74 6.395 13.688 0.686 1.00 0.99 O ATOM 1130 CB THR A 74 7.169 14.899 -2.103 1.00 1.38 C ATOM 1131 OG1 THR A 74 7.488 16.167 -1.513 1.00 1.87 O ATOM 1132 CG2 THR A 74 5.659 14.758 -2.223 1.00 1.47 C ATOM 0 H THR A 74 6.262 12.381 -1.729 1.00 0.97 H new ATOM 0 HA THR A 74 8.860 13.759 -1.443 1.00 1.15 H new ATOM 0 HB THR A 74 7.601 14.849 -3.102 1.00 1.38 H new ATOM 0 HG1 THR A 74 7.093 16.886 -2.049 1.00 1.87 H new ATOM 0 HG21 THR A 74 5.261 15.587 -2.808 1.00 1.47 H new ATOM 0 HG22 THR A 74 5.420 13.817 -2.718 1.00 1.47 H new ATOM 0 HG23 THR A 74 5.212 14.769 -1.229 1.00 1.47 H new