USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 753 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 97 THR OG1 : rot 180:sc= -4.17! USER MOD Set 1.2: A 101 TYR OH : rot 0:sc= -0.481! USER MOD Set 1.3: A 108 ASN : amide:sc= -7.95! C(o=-13!,f=-13!) USER MOD Set 2.1: A 64 GLN : amide:sc= -0.0921 K(o=-0.12,f=-0.73) USER MOD Set 2.2: A 68 MET CE :methyl -138:sc= -0.0258 (180deg=-0.537) USER MOD Set 3.1: A 20 ASN : amide:sc= -0.943 K(o=-14,f=-17) USER MOD Set 3.2: A 45 ASN : amide:sc= -10.9! C(o=-14!,f=-18!) USER MOD Set 3.3: A 48 MET CE :methyl -109:sc= -2.39 (180deg=-4.05!) USER MOD Single : A 6 ASN : amide:sc= -0.0238 X(o=-0.024,f=0) USER MOD Single : A 7 THR OG1 : rot -173:sc= -10.5! USER MOD Single : A 10 SER OG : rot -160:sc= -2.91! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -134:sc= -0.55 (180deg=-0.928) USER MOD Single : A 14 ASN : amide:sc= -0.506 K(o=-0.51,f=-1.9) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 97:sc= 1.27 USER MOD Single : A 28 ASN : amide:sc= -0.0286 K(o=-0.029,f=-1.9!) USER MOD Single : A 29 THR OG1 : rot 60:sc= 0.409 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 36 GLN : amide:sc= -2.93! C(o=-2.9!,f=-3.9!) USER MOD Single : A 37 MET CE :methyl -147:sc= -1.75 (180deg=-4.81!) USER MOD Single : A 39 ASN : amide:sc= -2.79! C(o=-2.8!,f=-3.9!) USER MOD Single : A 40 MET CE :methyl 166:sc= -3.21! (180deg=-3.72!) USER MOD Single : A 41 SER OG : rot 71:sc= 0.0955 USER MOD Single : A 46 THR OG1 : rot 175:sc= 0.0407 USER MOD Single : A 51 MET CE :methyl 180:sc= -0.0693 (180deg=-0.0693) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -55:sc= 0.656 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 80 SER OG : rot -18:sc= 0.203 USER MOD Single : A 81 GLN :FLIP amide:sc= -5.47! C(o=-9.3!,f=-5.5!) USER MOD Single : A 88 THR OG1 : rot 80:sc= -3.01! USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.55) USER MOD Single : A 103 THR OG1 : rot -74:sc= 0.426 USER MOD Single : A 104 THR OG1 : rot -50:sc= -3.82! USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 104:sc= 0.909 USER MOD Single : A 117 SER OG : rot 76:sc= 0.285 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N ASN A 6 -14.319 7.662 -5.236 1.00 0.00 N ATOM 62 CA ASN A 6 -14.826 8.989 -4.778 1.00 0.00 C ATOM 63 C ASN A 6 -13.941 9.511 -3.642 1.00 0.00 C ATOM 64 O ASN A 6 -13.913 10.692 -3.357 1.00 0.00 O ATOM 65 CB ASN A 6 -16.263 8.838 -4.276 1.00 0.00 C ATOM 66 CG ASN A 6 -17.103 8.122 -5.337 1.00 0.00 C ATOM 67 OD1 ASN A 6 -17.786 7.161 -5.041 1.00 0.00 O ATOM 68 ND2 ASN A 6 -17.083 8.552 -6.568 1.00 0.00 N ATOM 0 HA ASN A 6 -14.802 9.694 -5.609 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -16.276 8.273 -3.344 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -16.689 9.818 -4.060 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -17.640 8.082 -7.281 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -16.510 9.358 -6.817 1.00 0.00 H new ATOM 75 N THR A 7 -13.223 8.639 -2.991 1.00 0.00 N ATOM 76 CA THR A 7 -12.342 9.079 -1.873 1.00 0.00 C ATOM 77 C THR A 7 -11.058 8.245 -1.888 1.00 0.00 C ATOM 78 O THR A 7 -11.050 7.121 -2.349 1.00 0.00 O ATOM 79 CB THR A 7 -13.077 8.879 -0.545 1.00 0.00 C ATOM 80 OG1 THR A 7 -12.204 9.184 0.530 1.00 0.00 O ATOM 81 CG2 THR A 7 -13.540 7.427 -0.427 1.00 0.00 C ATOM 0 H THR A 7 -13.208 7.638 -3.185 1.00 0.00 H new ATOM 0 HA THR A 7 -12.089 10.133 -1.989 1.00 0.00 H new ATOM 0 HB THR A 7 -13.944 9.539 -0.510 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.638 8.957 1.379 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.063 7.288 0.519 1.00 0.00 H new ATOM 0 HG22 THR A 7 -14.213 7.192 -1.252 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.675 6.765 -0.464 1.00 0.00 H new ATOM 89 N PRO A 8 -9.947 8.808 -1.382 1.00 0.00 N ATOM 90 CA PRO A 8 -8.653 8.111 -1.351 1.00 0.00 C ATOM 91 C PRO A 8 -8.665 6.876 -0.441 1.00 0.00 C ATOM 92 O PRO A 8 -8.033 5.883 -0.736 1.00 0.00 O ATOM 93 CB PRO A 8 -7.692 9.168 -0.802 1.00 0.00 C ATOM 94 CG PRO A 8 -8.567 10.098 -0.034 1.00 0.00 C ATOM 95 CD PRO A 8 -9.855 10.161 -0.802 1.00 0.00 C ATOM 0 HA PRO A 8 -8.378 7.731 -2.335 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.931 8.720 -0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.169 9.686 -1.606 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.732 9.734 0.980 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.112 11.085 0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.703 10.384 -0.154 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.831 10.932 -1.572 1.00 0.00 H new ATOM 103 N TRP A 9 -9.375 6.912 0.656 1.00 0.00 N ATOM 104 CA TRP A 9 -9.398 5.716 1.547 1.00 0.00 C ATOM 105 C TRP A 9 -10.387 4.685 1.002 1.00 0.00 C ATOM 106 O TRP A 9 -10.657 3.679 1.629 1.00 0.00 O ATOM 107 CB TRP A 9 -9.798 6.118 2.970 1.00 0.00 C ATOM 108 CG TRP A 9 -11.132 6.786 2.959 1.00 0.00 C ATOM 109 CD1 TRP A 9 -12.320 6.157 3.108 1.00 0.00 C ATOM 110 CD2 TRP A 9 -11.435 8.201 2.806 1.00 0.00 C ATOM 111 NE1 TRP A 9 -13.334 7.096 3.049 1.00 0.00 N ATOM 112 CE2 TRP A 9 -12.839 8.371 2.864 1.00 0.00 C ATOM 113 CE3 TRP A 9 -10.636 9.342 2.620 1.00 0.00 C ATOM 114 CZ2 TRP A 9 -13.428 9.631 2.742 1.00 0.00 C ATOM 115 CZ3 TRP A 9 -11.224 10.610 2.497 1.00 0.00 C ATOM 116 CH2 TRP A 9 -12.617 10.754 2.557 1.00 0.00 C ATOM 0 H TRP A 9 -9.933 7.706 0.970 1.00 0.00 H new ATOM 0 HA TRP A 9 -8.400 5.280 1.575 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -9.830 5.236 3.610 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -9.050 6.790 3.390 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -12.455 5.095 3.250 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -14.326 6.873 3.132 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -9.562 9.242 2.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -14.502 9.737 2.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -10.600 11.480 2.355 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -13.063 11.733 2.460 1.00 0.00 H new ATOM 127 N SER A 10 -10.919 4.916 -0.167 1.00 0.00 N ATOM 128 CA SER A 10 -11.874 3.936 -0.755 1.00 0.00 C ATOM 129 C SER A 10 -11.094 2.957 -1.633 1.00 0.00 C ATOM 130 O SER A 10 -11.545 1.865 -1.920 1.00 0.00 O ATOM 131 CB SER A 10 -12.911 4.675 -1.605 1.00 0.00 C ATOM 132 OG SER A 10 -14.065 4.937 -0.821 1.00 0.00 O ATOM 0 H SER A 10 -10.734 5.740 -0.739 1.00 0.00 H new ATOM 0 HA SER A 10 -12.387 3.395 0.040 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.492 5.609 -1.978 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.178 4.075 -2.475 1.00 0.00 H new ATOM 0 HG SER A 10 -14.829 5.110 -1.410 1.00 0.00 H new ATOM 138 N SER A 11 -9.919 3.341 -2.055 1.00 0.00 N ATOM 139 CA SER A 11 -9.095 2.441 -2.908 1.00 0.00 C ATOM 140 C SER A 11 -7.645 2.485 -2.421 1.00 0.00 C ATOM 141 O SER A 11 -7.159 3.509 -1.987 1.00 0.00 O ATOM 142 CB SER A 11 -9.160 2.912 -4.362 1.00 0.00 C ATOM 143 OG SER A 11 -8.959 1.804 -5.228 1.00 0.00 O ATOM 0 H SER A 11 -9.494 4.244 -1.844 1.00 0.00 H new ATOM 0 HA SER A 11 -9.476 1.422 -2.844 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.127 3.374 -4.563 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.400 3.672 -4.544 1.00 0.00 H new ATOM 0 HG SER A 11 -9.002 2.105 -6.160 1.00 0.00 H new ATOM 149 N LYS A 12 -6.950 1.383 -2.486 1.00 0.00 N ATOM 150 CA LYS A 12 -5.533 1.372 -2.020 1.00 0.00 C ATOM 151 C LYS A 12 -4.719 2.365 -2.845 1.00 0.00 C ATOM 152 O LYS A 12 -3.945 3.139 -2.319 1.00 0.00 O ATOM 153 CB LYS A 12 -4.931 -0.021 -2.208 1.00 0.00 C ATOM 154 CG LYS A 12 -5.843 -1.078 -1.586 1.00 0.00 C ATOM 155 CD LYS A 12 -5.300 -2.476 -1.906 1.00 0.00 C ATOM 156 CE LYS A 12 -4.883 -2.546 -3.380 1.00 0.00 C ATOM 157 NZ LYS A 12 -6.029 -2.140 -4.240 1.00 0.00 N ATOM 0 H LYS A 12 -7.299 0.492 -2.840 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.508 1.645 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.795 -0.226 -3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.944 -0.064 -1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.898 -0.936 -0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.856 -0.973 -1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.447 -2.700 -1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.061 -3.228 -1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.030 -1.891 -3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.566 -3.558 -3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.130 -2.815 -5.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.902 -2.133 -3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.856 -1.188 -4.622 1.00 0.00 H new ATOM 171 N ALA A 13 -4.877 2.338 -4.138 1.00 0.00 N ATOM 172 CA ALA A 13 -4.100 3.269 -5.000 1.00 0.00 C ATOM 173 C ALA A 13 -4.358 4.711 -4.556 1.00 0.00 C ATOM 174 O ALA A 13 -3.441 5.478 -4.343 1.00 0.00 O ATOM 175 CB ALA A 13 -4.533 3.098 -6.457 1.00 0.00 C ATOM 0 H ALA A 13 -5.510 1.712 -4.635 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.037 3.046 -4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.964 3.780 -7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.348 2.071 -6.773 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.596 3.320 -6.549 1.00 0.00 H new ATOM 181 N ASN A 14 -5.600 5.083 -4.416 1.00 0.00 N ATOM 182 CA ASN A 14 -5.919 6.473 -3.986 1.00 0.00 C ATOM 183 C ASN A 14 -5.574 6.645 -2.504 1.00 0.00 C ATOM 184 O ASN A 14 -5.093 7.680 -2.086 1.00 0.00 O ATOM 185 CB ASN A 14 -7.409 6.743 -4.198 1.00 0.00 C ATOM 186 CG ASN A 14 -7.806 6.333 -5.618 1.00 0.00 C ATOM 187 OD1 ASN A 14 -8.759 5.603 -5.809 1.00 0.00 O ATOM 188 ND2 ASN A 14 -7.112 6.777 -6.630 1.00 0.00 N ATOM 0 H ASN A 14 -6.409 4.484 -4.581 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.334 7.178 -4.577 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.998 6.186 -3.469 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.624 7.800 -4.040 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.369 6.511 -7.581 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.312 7.390 -6.470 1.00 0.00 H new ATOM 195 N ALA A 15 -5.823 5.644 -1.703 1.00 0.00 N ATOM 196 CA ALA A 15 -5.516 5.755 -0.248 1.00 0.00 C ATOM 197 C ALA A 15 -4.005 5.778 -0.038 1.00 0.00 C ATOM 198 O ALA A 15 -3.472 6.645 0.625 1.00 0.00 O ATOM 199 CB ALA A 15 -6.110 4.558 0.498 1.00 0.00 C ATOM 0 H ALA A 15 -6.226 4.753 -1.994 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.951 6.678 0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.883 4.643 1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.191 4.542 0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.679 3.636 0.108 1.00 0.00 H new ATOM 205 N ASP A 16 -3.311 4.828 -0.594 1.00 0.00 N ATOM 206 CA ASP A 16 -1.832 4.786 -0.422 1.00 0.00 C ATOM 207 C ASP A 16 -1.233 6.125 -0.854 1.00 0.00 C ATOM 208 O ASP A 16 -0.476 6.738 -0.127 1.00 0.00 O ATOM 209 CB ASP A 16 -1.254 3.662 -1.283 1.00 0.00 C ATOM 210 CG ASP A 16 -1.331 2.340 -0.516 1.00 0.00 C ATOM 211 OD1 ASP A 16 -2.045 2.291 0.472 1.00 0.00 O ATOM 212 OD2 ASP A 16 -0.676 1.398 -0.933 1.00 0.00 O ATOM 0 H ASP A 16 -3.703 4.077 -1.161 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.589 4.602 0.625 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.808 3.585 -2.219 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.219 3.884 -1.543 1.00 0.00 H new ATOM 217 N ALA A 17 -1.569 6.592 -2.025 1.00 0.00 N ATOM 218 CA ALA A 17 -1.020 7.897 -2.484 1.00 0.00 C ATOM 219 C ALA A 17 -1.462 8.986 -1.506 1.00 0.00 C ATOM 220 O ALA A 17 -0.707 9.872 -1.158 1.00 0.00 O ATOM 221 CB ALA A 17 -1.553 8.215 -3.883 1.00 0.00 C ATOM 0 H ALA A 17 -2.197 6.128 -2.681 1.00 0.00 H new ATOM 0 HA ALA A 17 0.068 7.850 -2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.150 9.171 -4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.248 7.430 -4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.641 8.270 -3.854 1.00 0.00 H new ATOM 227 N PHE A 18 -2.684 8.918 -1.056 1.00 0.00 N ATOM 228 CA PHE A 18 -3.192 9.933 -0.093 1.00 0.00 C ATOM 229 C PHE A 18 -2.315 9.932 1.162 1.00 0.00 C ATOM 230 O PHE A 18 -2.054 10.961 1.751 1.00 0.00 O ATOM 231 CB PHE A 18 -4.629 9.578 0.291 1.00 0.00 C ATOM 232 CG PHE A 18 -5.238 10.706 1.088 1.00 0.00 C ATOM 233 CD1 PHE A 18 -5.763 11.822 0.430 1.00 0.00 C ATOM 234 CD2 PHE A 18 -5.280 10.633 2.486 1.00 0.00 C ATOM 235 CE1 PHE A 18 -6.332 12.866 1.168 1.00 0.00 C ATOM 236 CE2 PHE A 18 -5.848 11.678 3.224 1.00 0.00 C ATOM 237 CZ PHE A 18 -6.374 12.795 2.565 1.00 0.00 C ATOM 0 H PHE A 18 -3.357 8.197 -1.316 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.164 10.922 -0.551 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.220 9.394 -0.606 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.642 8.658 0.876 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.729 11.879 -0.648 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.874 9.771 2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.739 13.727 0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.880 11.622 4.302 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.812 13.602 3.134 1.00 0.00 H new ATOM 247 N ILE A 19 -1.865 8.779 1.580 1.00 0.00 N ATOM 248 CA ILE A 19 -1.013 8.706 2.801 1.00 0.00 C ATOM 249 C ILE A 19 0.369 9.301 2.514 1.00 0.00 C ATOM 250 O ILE A 19 0.961 9.950 3.352 1.00 0.00 O ATOM 251 CB ILE A 19 -0.852 7.243 3.224 1.00 0.00 C ATOM 252 CG1 ILE A 19 -2.227 6.633 3.505 1.00 0.00 C ATOM 253 CG2 ILE A 19 0.006 7.170 4.490 1.00 0.00 C ATOM 254 CD1 ILE A 19 -3.045 7.588 4.377 1.00 0.00 C ATOM 0 H ILE A 19 -2.051 7.884 1.128 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.490 9.273 3.600 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.368 6.687 2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.750 6.443 2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.114 5.672 4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.121 6.129 4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.987 7.600 4.290 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.479 7.729 5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.024 7.151 4.576 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.524 7.756 5.320 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.170 8.538 3.858 1.00 0.00 H new ATOM 266 N ASN A 20 0.892 9.073 1.341 1.00 0.00 N ATOM 267 CA ASN A 20 2.242 9.612 1.008 1.00 0.00 C ATOM 268 C ASN A 20 2.192 11.140 0.900 1.00 0.00 C ATOM 269 O ASN A 20 2.999 11.837 1.481 1.00 0.00 O ATOM 270 CB ASN A 20 2.706 9.028 -0.327 1.00 0.00 C ATOM 271 CG ASN A 20 2.607 7.503 -0.278 1.00 0.00 C ATOM 272 OD1 ASN A 20 2.972 6.891 0.705 1.00 0.00 O ATOM 273 ND2 ASN A 20 2.123 6.859 -1.305 1.00 0.00 N ATOM 0 H ASN A 20 0.443 8.537 0.598 1.00 0.00 H new ATOM 0 HA ASN A 20 2.939 9.333 1.799 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.092 9.417 -1.139 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.733 9.330 -0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.051 5.842 -1.282 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.816 7.373 -2.131 1.00 0.00 H new ATOM 280 N SER A 21 1.261 11.663 0.152 1.00 0.00 N ATOM 281 CA SER A 21 1.172 13.144 -0.002 1.00 0.00 C ATOM 282 C SER A 21 0.918 13.800 1.357 1.00 0.00 C ATOM 283 O SER A 21 1.328 14.917 1.603 1.00 0.00 O ATOM 284 CB SER A 21 0.025 13.489 -0.954 1.00 0.00 C ATOM 285 OG SER A 21 0.281 14.743 -1.569 1.00 0.00 O ATOM 0 H SER A 21 0.558 11.130 -0.360 1.00 0.00 H new ATOM 0 HA SER A 21 2.113 13.516 -0.408 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.077 12.714 -1.713 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.917 13.526 -0.407 1.00 0.00 H new ATOM 0 HG SER A 21 -0.453 14.964 -2.180 1.00 0.00 H new ATOM 291 N PHE A 22 0.237 13.123 2.238 1.00 0.00 N ATOM 292 CA PHE A 22 -0.051 13.717 3.574 1.00 0.00 C ATOM 293 C PHE A 22 1.251 13.921 4.354 1.00 0.00 C ATOM 294 O PHE A 22 1.496 14.977 4.903 1.00 0.00 O ATOM 295 CB PHE A 22 -0.969 12.779 4.358 1.00 0.00 C ATOM 296 CG PHE A 22 -1.234 13.366 5.723 1.00 0.00 C ATOM 297 CD1 PHE A 22 -0.297 13.199 6.750 1.00 0.00 C ATOM 298 CD2 PHE A 22 -2.414 14.079 5.960 1.00 0.00 C ATOM 299 CE1 PHE A 22 -0.542 13.744 8.016 1.00 0.00 C ATOM 300 CE2 PHE A 22 -2.659 14.625 7.226 1.00 0.00 C ATOM 301 CZ PHE A 22 -1.723 14.458 8.254 1.00 0.00 C ATOM 0 H PHE A 22 -0.133 12.184 2.091 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.538 14.683 3.436 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.907 12.638 3.822 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.507 11.797 4.455 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.614 12.650 6.566 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.136 14.208 5.167 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.180 13.614 8.809 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.570 15.175 7.410 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.912 14.880 9.230 1.00 0.00 H new ATOM 311 N ILE A 23 2.081 12.917 4.422 1.00 0.00 N ATOM 312 CA ILE A 23 3.357 13.054 5.183 1.00 0.00 C ATOM 313 C ILE A 23 4.230 14.148 4.562 1.00 0.00 C ATOM 314 O ILE A 23 4.634 15.082 5.226 1.00 0.00 O ATOM 315 CB ILE A 23 4.112 11.726 5.145 1.00 0.00 C ATOM 316 CG1 ILE A 23 3.232 10.620 5.730 1.00 0.00 C ATOM 317 CG2 ILE A 23 5.395 11.848 5.970 1.00 0.00 C ATOM 318 CD1 ILE A 23 3.920 9.267 5.536 1.00 0.00 C ATOM 0 H ILE A 23 1.932 12.008 3.984 1.00 0.00 H new ATOM 0 HA ILE A 23 3.128 13.324 6.214 1.00 0.00 H new ATOM 0 HB ILE A 23 4.364 11.480 4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.056 10.802 6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.258 10.618 5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.935 10.902 5.944 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.022 12.636 5.553 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.142 12.094 7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.294 8.478 5.952 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.073 9.086 4.472 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.884 9.273 6.045 1.00 0.00 H new ATOM 330 N SER A 24 4.535 14.034 3.298 1.00 0.00 N ATOM 331 CA SER A 24 5.395 15.064 2.644 1.00 0.00 C ATOM 332 C SER A 24 4.721 16.435 2.730 1.00 0.00 C ATOM 333 O SER A 24 5.378 17.455 2.810 1.00 0.00 O ATOM 334 CB SER A 24 5.602 14.693 1.174 1.00 0.00 C ATOM 335 OG SER A 24 6.052 13.349 1.084 1.00 0.00 O ATOM 0 H SER A 24 4.227 13.275 2.690 1.00 0.00 H new ATOM 0 HA SER A 24 6.358 15.104 3.153 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.669 14.813 0.623 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.331 15.363 0.718 1.00 0.00 H new ATOM 0 HG SER A 24 6.183 13.110 0.143 1.00 0.00 H new ATOM 341 N ALA A 25 3.419 16.470 2.704 1.00 0.00 N ATOM 342 CA ALA A 25 2.707 17.776 2.773 1.00 0.00 C ATOM 343 C ALA A 25 2.691 18.291 4.215 1.00 0.00 C ATOM 344 O ALA A 25 2.925 19.456 4.467 1.00 0.00 O ATOM 345 CB ALA A 25 1.270 17.593 2.283 1.00 0.00 C ATOM 0 H ALA A 25 2.816 15.650 2.638 1.00 0.00 H new ATOM 0 HA ALA A 25 3.224 18.500 2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.745 18.547 2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.279 17.236 1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.760 16.865 2.914 1.00 0.00 H new ATOM 351 N ALA A 26 2.403 17.439 5.161 1.00 0.00 N ATOM 352 CA ALA A 26 2.357 17.890 6.583 1.00 0.00 C ATOM 353 C ALA A 26 3.768 18.214 7.082 1.00 0.00 C ATOM 354 O ALA A 26 3.952 19.043 7.951 1.00 0.00 O ATOM 355 CB ALA A 26 1.761 16.777 7.447 1.00 0.00 C ATOM 0 H ALA A 26 2.198 16.451 5.012 1.00 0.00 H new ATOM 0 HA ALA A 26 1.741 18.786 6.651 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.726 17.103 8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.752 16.551 7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.380 15.884 7.368 1.00 0.00 H new ATOM 361 N SER A 27 4.763 17.563 6.550 1.00 0.00 N ATOM 362 CA SER A 27 6.156 17.830 7.007 1.00 0.00 C ATOM 363 C SER A 27 6.558 19.267 6.661 1.00 0.00 C ATOM 364 O SER A 27 7.378 19.867 7.326 1.00 0.00 O ATOM 365 CB SER A 27 7.110 16.854 6.315 1.00 0.00 C ATOM 366 OG SER A 27 6.714 15.521 6.602 1.00 0.00 O ATOM 0 H SER A 27 4.673 16.858 5.819 1.00 0.00 H new ATOM 0 HA SER A 27 6.210 17.697 8.088 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.102 17.023 5.238 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.131 17.023 6.657 1.00 0.00 H new ATOM 0 HG SER A 27 6.168 15.176 5.865 1.00 0.00 H new ATOM 372 N ASN A 28 5.997 19.821 5.621 1.00 0.00 N ATOM 373 CA ASN A 28 6.364 21.214 5.233 1.00 0.00 C ATOM 374 C ASN A 28 5.234 22.182 5.598 1.00 0.00 C ATOM 375 O ASN A 28 5.268 23.342 5.240 1.00 0.00 O ATOM 376 CB ASN A 28 6.611 21.273 3.724 1.00 0.00 C ATOM 377 CG ASN A 28 7.893 20.510 3.384 1.00 0.00 C ATOM 378 OD1 ASN A 28 8.657 20.163 4.262 1.00 0.00 O ATOM 379 ND2 ASN A 28 8.160 20.232 2.137 1.00 0.00 N ATOM 0 H ASN A 28 5.302 19.372 5.024 1.00 0.00 H new ATOM 0 HA ASN A 28 7.268 21.503 5.769 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.765 20.840 3.190 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.696 22.310 3.399 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.011 19.723 1.899 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.518 20.524 1.401 1.00 0.00 H new ATOM 386 N THR A 29 4.232 21.724 6.296 1.00 0.00 N ATOM 387 CA THR A 29 3.112 22.639 6.657 1.00 0.00 C ATOM 388 C THR A 29 3.388 23.307 8.007 1.00 0.00 C ATOM 389 O THR A 29 3.784 24.454 8.071 1.00 0.00 O ATOM 390 CB THR A 29 1.803 21.852 6.733 1.00 0.00 C ATOM 391 OG1 THR A 29 1.656 21.067 5.561 1.00 0.00 O ATOM 392 CG2 THR A 29 0.635 22.831 6.850 1.00 0.00 C ATOM 0 H THR A 29 4.140 20.765 6.630 1.00 0.00 H new ATOM 0 HA THR A 29 3.028 23.409 5.890 1.00 0.00 H new ATOM 0 HB THR A 29 1.816 21.197 7.604 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.413 20.449 5.484 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.301 22.276 6.905 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.753 23.432 7.751 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.619 23.484 5.978 1.00 0.00 H new ATOM 400 N GLY A 30 3.172 22.607 9.088 1.00 0.00 N ATOM 401 CA GLY A 30 3.411 23.215 10.426 1.00 0.00 C ATOM 402 C GLY A 30 4.899 23.138 10.771 1.00 0.00 C ATOM 403 O GLY A 30 5.703 23.901 10.273 1.00 0.00 O ATOM 0 H GLY A 30 2.841 21.642 9.101 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.081 24.254 10.428 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.825 22.693 11.183 1.00 0.00 H new ATOM 407 N SER A 31 5.271 22.225 11.625 1.00 0.00 N ATOM 408 CA SER A 31 6.705 22.101 12.006 1.00 0.00 C ATOM 409 C SER A 31 7.135 20.638 11.900 1.00 0.00 C ATOM 410 O SER A 31 8.003 20.292 11.122 1.00 0.00 O ATOM 411 CB SER A 31 6.891 22.585 13.446 1.00 0.00 C ATOM 412 OG SER A 31 8.272 22.567 13.778 1.00 0.00 O ATOM 0 H SER A 31 4.643 21.559 12.075 1.00 0.00 H new ATOM 0 HA SER A 31 7.315 22.708 11.336 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.493 23.594 13.556 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.333 21.946 14.131 1.00 0.00 H new ATOM 0 HG SER A 31 8.391 22.879 14.699 1.00 0.00 H new ATOM 418 N PHE A 32 6.536 19.776 12.678 1.00 0.00 N ATOM 419 CA PHE A 32 6.914 18.337 12.621 1.00 0.00 C ATOM 420 C PHE A 32 8.438 18.216 12.565 1.00 0.00 C ATOM 421 O PHE A 32 9.028 18.173 11.504 1.00 0.00 O ATOM 422 CB PHE A 32 6.304 17.698 11.372 1.00 0.00 C ATOM 423 CG PHE A 32 4.872 17.302 11.653 1.00 0.00 C ATOM 424 CD1 PHE A 32 4.576 16.499 12.761 1.00 0.00 C ATOM 425 CD2 PHE A 32 3.841 17.732 10.805 1.00 0.00 C ATOM 426 CE1 PHE A 32 3.252 16.126 13.023 1.00 0.00 C ATOM 427 CE2 PHE A 32 2.518 17.358 11.067 1.00 0.00 C ATOM 428 CZ PHE A 32 2.223 16.555 12.177 1.00 0.00 C ATOM 0 H PHE A 32 5.803 20.007 13.349 1.00 0.00 H new ATOM 0 HA PHE A 32 6.540 17.826 13.508 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.341 18.398 10.538 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.883 16.822 11.079 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.369 16.167 13.414 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.068 18.352 9.950 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.025 15.507 13.878 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.724 17.688 10.414 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.202 16.267 12.379 1.00 0.00 H new ATOM 438 N SER A 33 9.082 18.169 13.700 1.00 0.00 N ATOM 439 CA SER A 33 10.568 18.058 13.709 1.00 0.00 C ATOM 440 C SER A 33 10.995 16.779 12.988 1.00 0.00 C ATOM 441 O SER A 33 10.215 15.865 12.808 1.00 0.00 O ATOM 442 CB SER A 33 11.067 18.017 15.156 1.00 0.00 C ATOM 443 OG SER A 33 10.597 19.162 15.852 1.00 0.00 O ATOM 0 H SER A 33 8.643 18.203 14.620 1.00 0.00 H new ATOM 0 HA SER A 33 10.997 18.920 13.198 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.715 17.110 15.647 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.156 17.988 15.175 1.00 0.00 H new ATOM 0 HG SER A 33 10.915 19.135 16.779 1.00 0.00 H new ATOM 449 N GLN A 34 12.230 16.707 12.572 1.00 0.00 N ATOM 450 CA GLN A 34 12.708 15.489 11.863 1.00 0.00 C ATOM 451 C GLN A 34 12.387 14.252 12.706 1.00 0.00 C ATOM 452 O GLN A 34 12.050 13.207 12.188 1.00 0.00 O ATOM 453 CB GLN A 34 14.221 15.585 11.650 1.00 0.00 C ATOM 454 CG GLN A 34 14.535 16.798 10.771 1.00 0.00 C ATOM 455 CD GLN A 34 15.994 16.732 10.312 1.00 0.00 C ATOM 456 OE1 GLN A 34 16.876 16.136 11.066 1.00 0.00 O flip ATOM 457 NE2 GLN A 34 16.334 17.230 9.257 1.00 0.00 N flip ATOM 0 H GLN A 34 12.928 17.440 12.693 1.00 0.00 H new ATOM 0 HA GLN A 34 12.210 15.409 10.897 1.00 0.00 H new ATOM 0 HB2 GLN A 34 14.729 15.676 12.610 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.591 14.675 11.178 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.871 16.816 9.907 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.359 17.719 11.327 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.644 17.696 8.667 1.00 0.00 H new ATOM 0 HE22 GLN A 34 17.309 17.182 8.961 1.00 0.00 H new ATOM 466 N ASP A 35 12.487 14.366 14.001 1.00 0.00 N ATOM 467 CA ASP A 35 12.186 13.200 14.879 1.00 0.00 C ATOM 468 C ASP A 35 10.707 12.831 14.742 1.00 0.00 C ATOM 469 O ASP A 35 10.342 11.672 14.779 1.00 0.00 O ATOM 470 CB ASP A 35 12.488 13.563 16.333 1.00 0.00 C ATOM 471 CG ASP A 35 14.000 13.712 16.518 1.00 0.00 C ATOM 472 OD1 ASP A 35 14.726 13.362 15.602 1.00 0.00 O ATOM 473 OD2 ASP A 35 14.404 14.175 17.572 1.00 0.00 O ATOM 0 H ASP A 35 12.764 15.217 14.490 1.00 0.00 H new ATOM 0 HA ASP A 35 12.803 12.352 14.582 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.985 14.493 16.599 1.00 0.00 H new ATOM 0 HB3 ASP A 35 12.104 12.791 16.999 1.00 0.00 H new ATOM 478 N GLN A 36 9.853 13.805 14.585 1.00 0.00 N ATOM 479 CA GLN A 36 8.402 13.506 14.445 1.00 0.00 C ATOM 480 C GLN A 36 8.146 12.879 13.076 1.00 0.00 C ATOM 481 O GLN A 36 7.291 12.028 12.920 1.00 0.00 O ATOM 482 CB GLN A 36 7.599 14.802 14.573 1.00 0.00 C ATOM 483 CG GLN A 36 7.861 15.429 15.944 1.00 0.00 C ATOM 484 CD GLN A 36 7.436 14.451 17.042 1.00 0.00 C ATOM 485 OE1 GLN A 36 6.354 13.902 16.997 1.00 0.00 O ATOM 486 NE2 GLN A 36 8.249 14.210 18.034 1.00 0.00 N ATOM 0 H GLN A 36 10.098 14.794 14.548 1.00 0.00 H new ATOM 0 HA GLN A 36 8.094 12.812 15.227 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.882 15.497 13.783 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.535 14.597 14.452 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.918 15.672 16.048 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.308 16.363 16.040 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.158 14.671 18.072 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.975 13.560 18.771 1.00 0.00 H new ATOM 495 N MET A 37 8.884 13.287 12.080 1.00 0.00 N ATOM 496 CA MET A 37 8.687 12.711 10.722 1.00 0.00 C ATOM 497 C MET A 37 9.020 11.220 10.754 1.00 0.00 C ATOM 498 O MET A 37 8.422 10.425 10.057 1.00 0.00 O ATOM 499 CB MET A 37 9.606 13.421 9.726 1.00 0.00 C ATOM 500 CG MET A 37 9.210 14.894 9.627 1.00 0.00 C ATOM 501 SD MET A 37 10.235 15.712 8.380 1.00 0.00 S ATOM 502 CE MET A 37 9.597 17.388 8.626 1.00 0.00 C ATOM 0 H MET A 37 9.615 13.995 12.149 1.00 0.00 H new ATOM 0 HA MET A 37 7.650 12.847 10.414 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.644 13.333 10.047 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.534 12.947 8.747 1.00 0.00 H new ATOM 0 HG2 MET A 37 8.156 14.981 9.361 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.336 15.381 10.594 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.604 17.923 7.676 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.577 17.337 9.006 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.225 17.915 9.344 1.00 0.00 H new ATOM 512 N GLU A 38 9.972 10.832 11.560 1.00 0.00 N ATOM 513 CA GLU A 38 10.338 9.391 11.637 1.00 0.00 C ATOM 514 C GLU A 38 9.110 8.582 12.061 1.00 0.00 C ATOM 515 O GLU A 38 8.788 7.571 11.470 1.00 0.00 O ATOM 516 CB GLU A 38 11.456 9.199 12.662 1.00 0.00 C ATOM 517 CG GLU A 38 11.991 7.769 12.569 1.00 0.00 C ATOM 518 CD GLU A 38 13.136 7.587 13.568 1.00 0.00 C ATOM 519 OE1 GLU A 38 13.473 8.551 14.235 1.00 0.00 O ATOM 520 OE2 GLU A 38 13.655 6.486 13.649 1.00 0.00 O ATOM 0 H GLU A 38 10.510 11.451 12.167 1.00 0.00 H new ATOM 0 HA GLU A 38 10.683 9.049 10.661 1.00 0.00 H new ATOM 0 HB2 GLU A 38 12.259 9.912 12.478 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.081 9.394 13.667 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.193 7.056 12.780 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.341 7.565 11.557 1.00 0.00 H new ATOM 527 N ASN A 39 8.419 9.023 13.077 1.00 0.00 N ATOM 528 CA ASN A 39 7.211 8.280 13.530 1.00 0.00 C ATOM 529 C ASN A 39 6.249 8.127 12.353 1.00 0.00 C ATOM 530 O ASN A 39 5.647 7.090 12.158 1.00 0.00 O ATOM 531 CB ASN A 39 6.523 9.058 14.654 1.00 0.00 C ATOM 532 CG ASN A 39 5.575 8.127 15.414 1.00 0.00 C ATOM 533 OD1 ASN A 39 5.378 6.993 15.026 1.00 0.00 O ATOM 534 ND2 ASN A 39 4.976 8.562 16.489 1.00 0.00 N ATOM 0 H ASN A 39 8.639 9.864 13.611 1.00 0.00 H new ATOM 0 HA ASN A 39 7.501 7.296 13.899 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.268 9.470 15.335 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.968 9.901 14.241 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.343 7.950 17.003 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.141 9.514 16.815 1.00 0.00 H new ATOM 541 N MET A 40 6.106 9.154 11.565 1.00 0.00 N ATOM 542 CA MET A 40 5.191 9.075 10.393 1.00 0.00 C ATOM 543 C MET A 40 5.683 7.980 9.447 1.00 0.00 C ATOM 544 O MET A 40 4.911 7.327 8.777 1.00 0.00 O ATOM 545 CB MET A 40 5.177 10.417 9.660 1.00 0.00 C ATOM 546 CG MET A 40 4.730 11.518 10.623 1.00 0.00 C ATOM 547 SD MET A 40 4.554 13.077 9.721 1.00 0.00 S ATOM 548 CE MET A 40 3.002 12.676 8.880 1.00 0.00 C ATOM 0 H MET A 40 6.584 10.047 11.682 1.00 0.00 H new ATOM 0 HA MET A 40 4.182 8.842 10.732 1.00 0.00 H new ATOM 0 HB2 MET A 40 6.170 10.641 9.270 1.00 0.00 H new ATOM 0 HB3 MET A 40 4.502 10.370 8.806 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.782 11.246 11.088 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.458 11.631 11.426 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.571 13.584 8.459 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.196 11.961 8.080 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.303 12.241 9.594 1.00 0.00 H new ATOM 558 N SER A 41 6.968 7.774 9.391 1.00 0.00 N ATOM 559 CA SER A 41 7.517 6.720 8.493 1.00 0.00 C ATOM 560 C SER A 41 7.152 5.340 9.045 1.00 0.00 C ATOM 561 O SER A 41 7.101 4.365 8.321 1.00 0.00 O ATOM 562 CB SER A 41 9.039 6.855 8.422 1.00 0.00 C ATOM 563 OG SER A 41 9.380 8.173 8.015 1.00 0.00 O ATOM 0 H SER A 41 7.664 8.291 9.929 1.00 0.00 H new ATOM 0 HA SER A 41 7.095 6.835 7.495 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.480 6.638 9.395 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.447 6.129 7.719 1.00 0.00 H new ATOM 0 HG SER A 41 9.188 8.800 8.743 1.00 0.00 H new ATOM 569 N LEU A 42 6.903 5.247 10.325 1.00 0.00 N ATOM 570 CA LEU A 42 6.548 3.927 10.921 1.00 0.00 C ATOM 571 C LEU A 42 5.030 3.732 10.890 1.00 0.00 C ATOM 572 O LEU A 42 4.539 2.621 10.924 1.00 0.00 O ATOM 573 CB LEU A 42 7.038 3.875 12.370 1.00 0.00 C ATOM 574 CG LEU A 42 8.521 3.496 12.391 1.00 0.00 C ATOM 575 CD1 LEU A 42 8.683 2.038 11.956 1.00 0.00 C ATOM 576 CD2 LEU A 42 9.290 4.403 11.428 1.00 0.00 C ATOM 0 H LEU A 42 6.930 6.027 10.982 1.00 0.00 H new ATOM 0 HA LEU A 42 7.023 3.134 10.344 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.892 4.843 12.850 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.457 3.147 12.936 1.00 0.00 H new ATOM 0 HG LEU A 42 8.913 3.619 13.401 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.739 1.769 11.971 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.134 1.391 12.640 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.292 1.914 10.946 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.346 4.135 11.441 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.897 4.279 10.419 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.175 5.442 11.737 1.00 0.00 H new ATOM 588 N ILE A 43 4.283 4.799 10.830 1.00 0.00 N ATOM 589 CA ILE A 43 2.799 4.664 10.800 1.00 0.00 C ATOM 590 C ILE A 43 2.242 5.394 9.575 1.00 0.00 C ATOM 591 O ILE A 43 2.864 6.285 9.036 1.00 0.00 O ATOM 592 CB ILE A 43 2.209 5.273 12.075 1.00 0.00 C ATOM 593 CG1 ILE A 43 2.503 4.356 13.264 1.00 0.00 C ATOM 594 CG2 ILE A 43 0.695 5.430 11.915 1.00 0.00 C ATOM 595 CD1 ILE A 43 2.094 5.057 14.561 1.00 0.00 C ATOM 0 H ILE A 43 4.634 5.756 10.800 1.00 0.00 H new ATOM 0 HA ILE A 43 2.530 3.609 10.742 1.00 0.00 H new ATOM 0 HB ILE A 43 2.659 6.250 12.250 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.958 3.418 13.157 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.564 4.107 13.291 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.276 5.864 12.823 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.484 6.085 11.070 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.245 4.453 11.738 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.303 4.405 15.409 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.659 5.983 14.668 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.028 5.284 14.532 1.00 0.00 H new ATOM 607 N GLY A 44 1.074 5.020 9.129 1.00 0.00 N ATOM 608 CA GLY A 44 0.483 5.690 7.938 1.00 0.00 C ATOM 609 C GLY A 44 0.934 4.957 6.674 1.00 0.00 C ATOM 610 O GLY A 44 0.240 4.104 6.159 1.00 0.00 O ATOM 0 H GLY A 44 0.504 4.280 9.538 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.605 5.687 8.006 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.797 6.733 7.900 1.00 0.00 H new ATOM 614 N ASN A 45 2.097 5.274 6.173 1.00 0.00 N ATOM 615 CA ASN A 45 2.588 4.583 4.949 1.00 0.00 C ATOM 616 C ASN A 45 2.755 3.094 5.251 1.00 0.00 C ATOM 617 O ASN A 45 2.539 2.249 4.405 1.00 0.00 O ATOM 618 CB ASN A 45 3.936 5.174 4.528 1.00 0.00 C ATOM 619 CG ASN A 45 3.722 6.581 3.965 1.00 0.00 C ATOM 620 OD1 ASN A 45 2.605 6.981 3.710 1.00 0.00 O ATOM 621 ND2 ASN A 45 4.754 7.353 3.760 1.00 0.00 N ATOM 0 H ASN A 45 2.726 5.979 6.557 1.00 0.00 H new ATOM 0 HA ASN A 45 1.871 4.718 4.140 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.612 5.211 5.382 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.406 4.538 3.778 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.622 8.292 3.386 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.693 7.017 3.974 1.00 0.00 H new ATOM 628 N THR A 46 3.131 2.767 6.457 1.00 0.00 N ATOM 629 CA THR A 46 3.305 1.335 6.821 1.00 0.00 C ATOM 630 C THR A 46 1.972 0.605 6.646 1.00 0.00 C ATOM 631 O THR A 46 1.928 -0.545 6.256 1.00 0.00 O ATOM 632 CB THR A 46 3.757 1.230 8.280 1.00 0.00 C ATOM 633 OG1 THR A 46 4.936 2.002 8.464 1.00 0.00 O ATOM 634 CG2 THR A 46 4.044 -0.233 8.624 1.00 0.00 C ATOM 0 H THR A 46 3.325 3.432 7.206 1.00 0.00 H new ATOM 0 HA THR A 46 4.058 0.882 6.176 1.00 0.00 H new ATOM 0 HB THR A 46 2.969 1.606 8.933 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.180 2.006 9.413 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.366 -0.306 9.663 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.140 -0.824 8.482 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.832 -0.612 7.973 1.00 0.00 H new ATOM 642 N LEU A 47 0.885 1.269 6.929 1.00 0.00 N ATOM 643 CA LEU A 47 -0.446 0.620 6.778 1.00 0.00 C ATOM 644 C LEU A 47 -0.615 0.133 5.338 1.00 0.00 C ATOM 645 O LEU A 47 -1.205 -0.900 5.086 1.00 0.00 O ATOM 646 CB LEU A 47 -1.545 1.632 7.106 1.00 0.00 C ATOM 647 CG LEU A 47 -1.384 2.108 8.551 1.00 0.00 C ATOM 648 CD1 LEU A 47 -1.853 3.561 8.665 1.00 0.00 C ATOM 649 CD2 LEU A 47 -2.226 1.227 9.475 1.00 0.00 C ATOM 0 H LEU A 47 0.862 2.234 7.259 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.517 -0.228 7.459 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.489 2.480 6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.526 1.177 6.969 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.335 2.041 8.841 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.739 3.901 9.694 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.253 4.190 8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.902 3.629 8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.111 1.566 10.505 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.275 1.294 9.185 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.893 0.192 9.394 1.00 0.00 H new ATOM 661 N MET A 48 -0.099 0.866 4.390 1.00 0.00 N ATOM 662 CA MET A 48 -0.229 0.441 2.968 1.00 0.00 C ATOM 663 C MET A 48 0.272 -0.996 2.823 1.00 0.00 C ATOM 664 O MET A 48 -0.304 -1.795 2.111 1.00 0.00 O ATOM 665 CB MET A 48 0.607 1.365 2.080 1.00 0.00 C ATOM 666 CG MET A 48 0.133 2.809 2.255 1.00 0.00 C ATOM 667 SD MET A 48 0.873 3.847 0.969 1.00 0.00 S ATOM 668 CE MET A 48 2.588 3.713 1.532 1.00 0.00 C ATOM 0 H MET A 48 0.406 1.740 4.538 1.00 0.00 H new ATOM 0 HA MET A 48 -1.274 0.496 2.664 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.662 1.283 2.343 1.00 0.00 H new ATOM 0 HB3 MET A 48 0.515 1.065 1.036 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.954 2.856 2.194 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.414 3.178 3.241 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.908 4.666 1.954 1.00 0.00 H new ATOM 0 HE2 MET A 48 2.662 2.936 2.293 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.229 3.457 0.688 1.00 0.00 H new ATOM 678 N ALA A 49 1.338 -1.333 3.496 1.00 0.00 N ATOM 679 CA ALA A 49 1.869 -2.721 3.399 1.00 0.00 C ATOM 680 C ALA A 49 0.812 -3.700 3.910 1.00 0.00 C ATOM 681 O ALA A 49 0.700 -4.813 3.435 1.00 0.00 O ATOM 682 CB ALA A 49 3.136 -2.845 4.248 1.00 0.00 C ATOM 0 H ALA A 49 1.863 -0.708 4.108 1.00 0.00 H new ATOM 0 HA ALA A 49 2.108 -2.950 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.524 -3.861 4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.887 -2.143 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.901 -2.619 5.288 1.00 0.00 H new ATOM 688 N ALA A 50 0.032 -3.291 4.873 1.00 0.00 N ATOM 689 CA ALA A 50 -1.021 -4.194 5.414 1.00 0.00 C ATOM 690 C ALA A 50 -2.034 -4.503 4.311 1.00 0.00 C ATOM 691 O ALA A 50 -2.620 -5.566 4.271 1.00 0.00 O ATOM 692 CB ALA A 50 -1.732 -3.506 6.581 1.00 0.00 C ATOM 0 H ALA A 50 0.079 -2.370 5.308 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.565 -5.121 5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.503 -4.166 6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.009 -3.280 7.365 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.191 -2.581 6.233 1.00 0.00 H new ATOM 698 N MET A 51 -2.243 -3.580 3.411 1.00 0.00 N ATOM 699 CA MET A 51 -3.216 -3.820 2.310 1.00 0.00 C ATOM 700 C MET A 51 -2.822 -5.091 1.557 1.00 0.00 C ATOM 701 O MET A 51 -3.663 -5.831 1.088 1.00 0.00 O ATOM 702 CB MET A 51 -3.201 -2.629 1.349 1.00 0.00 C ATOM 703 CG MET A 51 -3.726 -1.387 2.073 1.00 0.00 C ATOM 704 SD MET A 51 -3.849 -0.011 0.904 1.00 0.00 S ATOM 705 CE MET A 51 -4.367 1.249 2.094 1.00 0.00 C ATOM 0 H MET A 51 -1.781 -2.671 3.392 1.00 0.00 H new ATOM 0 HA MET A 51 -4.217 -3.938 2.724 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.188 -2.452 0.987 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.818 -2.843 0.477 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.703 -1.594 2.511 1.00 0.00 H new ATOM 0 HG3 MET A 51 -3.059 -1.122 2.893 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.505 2.200 1.580 1.00 0.00 H new ATOM 0 HE2 MET A 51 -5.306 0.948 2.557 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.602 1.360 2.863 1.00 0.00 H new ATOM 876 N LEU A 63 -11.881 -0.560 4.646 1.00 0.00 N ATOM 877 CA LEU A 63 -11.048 0.660 4.452 1.00 0.00 C ATOM 878 C LEU A 63 -11.577 1.780 5.347 1.00 0.00 C ATOM 879 O LEU A 63 -10.821 2.523 5.939 1.00 0.00 O ATOM 880 CB LEU A 63 -11.119 1.103 2.992 1.00 0.00 C ATOM 881 CG LEU A 63 -9.753 0.904 2.335 1.00 0.00 C ATOM 882 CD1 LEU A 63 -9.911 0.968 0.816 1.00 0.00 C ATOM 883 CD2 LEU A 63 -8.797 2.006 2.797 1.00 0.00 C ATOM 0 HA LEU A 63 -10.013 0.438 4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.877 0.527 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.415 2.150 2.932 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.348 -0.067 2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.939 0.827 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.592 0.183 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.314 1.940 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.823 1.863 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.198 2.979 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.688 1.962 3.881 1.00 0.00 H new ATOM 895 N GLN A 64 -12.870 1.903 5.453 1.00 0.00 N ATOM 896 CA GLN A 64 -13.445 2.973 6.312 1.00 0.00 C ATOM 897 C GLN A 64 -12.859 2.849 7.719 1.00 0.00 C ATOM 898 O GLN A 64 -12.536 3.831 8.357 1.00 0.00 O ATOM 899 CB GLN A 64 -14.966 2.817 6.375 1.00 0.00 C ATOM 900 CG GLN A 64 -15.565 3.971 7.182 1.00 0.00 C ATOM 901 CD GLN A 64 -15.600 5.232 6.318 1.00 0.00 C ATOM 902 OE1 GLN A 64 -16.004 5.186 5.173 1.00 0.00 O ATOM 903 NE2 GLN A 64 -15.191 6.365 6.820 1.00 0.00 N ATOM 0 H GLN A 64 -13.553 1.309 4.982 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.202 3.951 5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.383 2.808 5.368 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.226 1.864 6.836 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -16.572 3.715 7.511 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -14.972 4.148 8.079 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -14.852 6.404 7.781 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.211 7.211 6.251 1.00 0.00 H new ATOM 912 N ALA A 65 -12.710 1.647 8.202 1.00 0.00 N ATOM 913 CA ALA A 65 -12.133 1.459 9.562 1.00 0.00 C ATOM 914 C ALA A 65 -10.637 1.774 9.515 1.00 0.00 C ATOM 915 O ALA A 65 -10.072 2.302 10.452 1.00 0.00 O ATOM 916 CB ALA A 65 -12.338 0.010 10.008 1.00 0.00 C ATOM 0 H ALA A 65 -12.963 0.788 7.714 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.628 2.125 10.269 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.916 -0.128 11.003 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.404 -0.216 10.032 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.841 -0.660 9.307 1.00 0.00 H new ATOM 922 N LEU A 66 -9.992 1.457 8.424 1.00 0.00 N ATOM 923 CA LEU A 66 -8.534 1.740 8.307 1.00 0.00 C ATOM 924 C LEU A 66 -8.325 3.244 8.114 1.00 0.00 C ATOM 925 O LEU A 66 -7.491 3.851 8.755 1.00 0.00 O ATOM 926 CB LEU A 66 -7.963 0.985 7.105 1.00 0.00 C ATOM 927 CG LEU A 66 -6.453 1.215 7.027 1.00 0.00 C ATOM 928 CD1 LEU A 66 -5.724 0.019 7.641 1.00 0.00 C ATOM 929 CD2 LEU A 66 -6.037 1.371 5.563 1.00 0.00 C ATOM 0 H LEU A 66 -10.414 1.014 7.608 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.024 1.415 9.214 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.175 -0.080 7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.441 1.327 6.187 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.193 2.120 7.577 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.648 0.182 7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.021 -0.092 8.684 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.983 -0.886 7.091 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.961 1.535 5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.296 0.466 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.558 2.223 5.126 1.00 0.00 H new ATOM 941 N ASP A 67 -9.077 3.848 7.234 1.00 0.00 N ATOM 942 CA ASP A 67 -8.921 5.312 7.002 1.00 0.00 C ATOM 943 C ASP A 67 -8.899 6.048 8.343 1.00 0.00 C ATOM 944 O ASP A 67 -8.066 6.900 8.580 1.00 0.00 O ATOM 945 CB ASP A 67 -10.098 5.822 6.170 1.00 0.00 C ATOM 946 CG ASP A 67 -9.745 7.184 5.570 1.00 0.00 C ATOM 947 OD1 ASP A 67 -8.568 7.438 5.378 1.00 0.00 O ATOM 948 OD2 ASP A 67 -10.660 7.950 5.313 1.00 0.00 O ATOM 0 H ASP A 67 -9.791 3.392 6.667 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.986 5.494 6.472 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.331 5.112 5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.988 5.907 6.793 1.00 0.00 H new ATOM 953 N MET A 68 -9.813 5.732 9.219 1.00 0.00 N ATOM 954 CA MET A 68 -9.846 6.420 10.543 1.00 0.00 C ATOM 955 C MET A 68 -8.525 6.187 11.280 1.00 0.00 C ATOM 956 O MET A 68 -8.011 7.066 11.943 1.00 0.00 O ATOM 957 CB MET A 68 -10.998 5.860 11.381 1.00 0.00 C ATOM 958 CG MET A 68 -12.331 6.177 10.700 1.00 0.00 C ATOM 959 SD MET A 68 -13.690 5.597 11.747 1.00 0.00 S ATOM 960 CE MET A 68 -15.044 6.019 10.622 1.00 0.00 C ATOM 0 H MET A 68 -10.538 5.029 9.077 1.00 0.00 H new ATOM 0 HA MET A 68 -9.991 7.489 10.388 1.00 0.00 H new ATOM 0 HB2 MET A 68 -10.885 4.782 11.498 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.977 6.293 12.381 1.00 0.00 H new ATOM 0 HG2 MET A 68 -12.420 7.250 10.530 1.00 0.00 H new ATOM 0 HG3 MET A 68 -12.378 5.695 9.724 1.00 0.00 H new ATOM 0 HE1 MET A 68 -15.865 6.458 11.189 1.00 0.00 H new ATOM 0 HE2 MET A 68 -14.691 6.736 9.881 1.00 0.00 H new ATOM 0 HE3 MET A 68 -15.392 5.118 10.118 1.00 0.00 H new ATOM 970 N ALA A 69 -7.973 5.010 11.176 1.00 0.00 N ATOM 971 CA ALA A 69 -6.689 4.723 11.877 1.00 0.00 C ATOM 972 C ALA A 69 -5.638 5.754 11.461 1.00 0.00 C ATOM 973 O ALA A 69 -4.916 6.284 12.281 1.00 0.00 O ATOM 974 CB ALA A 69 -6.204 3.321 11.502 1.00 0.00 C ATOM 0 H ALA A 69 -8.355 4.234 10.636 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.845 4.777 12.954 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.265 3.112 12.015 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.952 2.586 11.799 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.049 3.266 10.424 1.00 0.00 H new ATOM 980 N PHE A 70 -5.547 6.042 10.192 1.00 0.00 N ATOM 981 CA PHE A 70 -4.542 7.039 9.725 1.00 0.00 C ATOM 982 C PHE A 70 -4.740 8.357 10.481 1.00 0.00 C ATOM 983 O PHE A 70 -3.794 9.056 10.785 1.00 0.00 O ATOM 984 CB PHE A 70 -4.723 7.279 8.225 1.00 0.00 C ATOM 985 CG PHE A 70 -3.680 8.257 7.743 1.00 0.00 C ATOM 986 CD1 PHE A 70 -2.385 7.814 7.450 1.00 0.00 C ATOM 987 CD2 PHE A 70 -4.007 9.610 7.590 1.00 0.00 C ATOM 988 CE1 PHE A 70 -1.418 8.721 7.003 1.00 0.00 C ATOM 989 CE2 PHE A 70 -3.040 10.517 7.143 1.00 0.00 C ATOM 990 CZ PHE A 70 -1.745 10.074 6.850 1.00 0.00 C ATOM 0 H PHE A 70 -6.124 5.631 9.459 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.538 6.660 9.914 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.633 6.338 7.682 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.722 7.668 8.026 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.132 6.771 7.569 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.005 9.953 7.817 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.420 8.378 6.776 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.293 11.560 7.024 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.999 10.775 6.506 1.00 0.00 H new ATOM 1000 N ALA A 71 -5.962 8.700 10.783 1.00 0.00 N ATOM 1001 CA ALA A 71 -6.221 9.973 11.515 1.00 0.00 C ATOM 1002 C ALA A 71 -5.632 9.889 12.927 1.00 0.00 C ATOM 1003 O ALA A 71 -5.118 10.856 13.452 1.00 0.00 O ATOM 1004 CB ALA A 71 -7.730 10.206 11.608 1.00 0.00 C ATOM 0 H ALA A 71 -6.793 8.154 10.555 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.753 10.799 10.979 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.922 11.136 12.143 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.151 10.271 10.605 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.194 9.377 12.143 1.00 0.00 H new ATOM 1010 N SER A 72 -5.709 8.743 13.547 1.00 0.00 N ATOM 1011 CA SER A 72 -5.159 8.604 14.926 1.00 0.00 C ATOM 1012 C SER A 72 -3.633 8.725 14.891 1.00 0.00 C ATOM 1013 O SER A 72 -3.017 9.192 15.827 1.00 0.00 O ATOM 1014 CB SER A 72 -5.545 7.236 15.491 1.00 0.00 C ATOM 1015 OG SER A 72 -6.953 7.074 15.418 1.00 0.00 O ATOM 0 H SER A 72 -6.128 7.898 13.159 1.00 0.00 H new ATOM 0 HA SER A 72 -5.569 9.392 15.557 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.048 6.445 14.929 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.212 7.151 16.525 1.00 0.00 H new ATOM 0 HG SER A 72 -7.200 6.197 15.778 1.00 0.00 H new ATOM 1021 N SER A 73 -3.018 8.300 13.822 1.00 0.00 N ATOM 1022 CA SER A 73 -1.533 8.385 13.734 1.00 0.00 C ATOM 1023 C SER A 73 -1.102 9.845 13.621 1.00 0.00 C ATOM 1024 O SER A 73 -0.222 10.302 14.322 1.00 0.00 O ATOM 1025 CB SER A 73 -1.053 7.626 12.497 1.00 0.00 C ATOM 1026 OG SER A 73 -1.535 8.273 11.329 1.00 0.00 O ATOM 0 H SER A 73 -3.479 7.898 13.006 1.00 0.00 H new ATOM 0 HA SER A 73 -1.097 7.946 14.632 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.036 7.587 12.481 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.408 6.596 12.528 1.00 0.00 H new ATOM 0 HG SER A 73 -2.510 8.354 11.379 1.00 0.00 H new ATOM 1032 N VAL A 74 -1.709 10.575 12.732 1.00 0.00 N ATOM 1033 CA VAL A 74 -1.329 12.002 12.558 1.00 0.00 C ATOM 1034 C VAL A 74 -1.570 12.770 13.860 1.00 0.00 C ATOM 1035 O VAL A 74 -0.838 13.677 14.199 1.00 0.00 O ATOM 1036 CB VAL A 74 -2.172 12.620 11.440 1.00 0.00 C ATOM 1037 CG1 VAL A 74 -1.875 11.904 10.121 1.00 0.00 C ATOM 1038 CG2 VAL A 74 -3.656 12.470 11.779 1.00 0.00 C ATOM 0 H VAL A 74 -2.453 10.245 12.117 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.272 12.061 12.298 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.926 13.677 11.342 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.475 12.344 9.325 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.818 12.011 9.879 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.120 10.846 10.218 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.257 12.910 10.983 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.902 11.413 11.877 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.868 12.980 12.718 1.00 0.00 H new ATOM 1048 N ALA A 75 -2.595 12.419 14.588 1.00 0.00 N ATOM 1049 CA ALA A 75 -2.881 13.138 15.862 1.00 0.00 C ATOM 1050 C ALA A 75 -1.862 12.728 16.927 1.00 0.00 C ATOM 1051 O ALA A 75 -1.299 13.560 17.610 1.00 0.00 O ATOM 1052 CB ALA A 75 -4.290 12.782 16.341 1.00 0.00 C ATOM 0 H ALA A 75 -3.245 11.668 14.357 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.812 14.213 15.693 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.501 13.307 17.273 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.017 13.078 15.585 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.357 11.707 16.507 1.00 0.00 H new ATOM 1058 N GLN A 76 -1.625 11.455 17.080 1.00 0.00 N ATOM 1059 CA GLN A 76 -0.647 10.996 18.108 1.00 0.00 C ATOM 1060 C GLN A 76 0.756 11.492 17.750 1.00 0.00 C ATOM 1061 O GLN A 76 1.448 12.066 18.567 1.00 0.00 O ATOM 1062 CB GLN A 76 -0.649 9.468 18.161 1.00 0.00 C ATOM 1063 CG GLN A 76 -2.006 8.976 18.669 1.00 0.00 C ATOM 1064 CD GLN A 76 -2.020 7.447 18.688 1.00 0.00 C ATOM 1065 OE1 GLN A 76 -1.188 6.812 18.071 1.00 0.00 O ATOM 1066 NE2 GLN A 76 -2.937 6.824 19.376 1.00 0.00 N ATOM 0 H GLN A 76 -2.066 10.712 16.538 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.931 11.398 19.080 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.450 9.059 17.170 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.146 9.115 18.817 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.194 9.364 19.670 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.804 9.350 18.027 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.636 7.357 19.894 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.955 5.804 19.396 1.00 0.00 H new ATOM 1075 N ILE A 77 1.186 11.271 16.538 1.00 0.00 N ATOM 1076 CA ILE A 77 2.548 11.725 16.135 1.00 0.00 C ATOM 1077 C ILE A 77 2.698 13.223 16.403 1.00 0.00 C ATOM 1078 O ILE A 77 3.649 13.662 17.019 1.00 0.00 O ATOM 1079 CB ILE A 77 2.757 11.449 14.645 1.00 0.00 C ATOM 1080 CG1 ILE A 77 2.801 9.939 14.407 1.00 0.00 C ATOM 1081 CG2 ILE A 77 4.077 12.075 14.191 1.00 0.00 C ATOM 1082 CD1 ILE A 77 2.907 9.663 12.906 1.00 0.00 C ATOM 0 H ILE A 77 0.654 10.796 15.809 1.00 0.00 H new ATOM 0 HA ILE A 77 3.293 11.182 16.716 1.00 0.00 H new ATOM 0 HB ILE A 77 1.934 11.882 14.076 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.652 9.502 14.929 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.904 9.470 14.812 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.227 11.879 13.129 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.046 13.151 14.360 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.900 11.642 14.760 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.938 8.587 12.735 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.041 10.086 12.396 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.817 10.119 12.516 1.00 0.00 H new ATOM 1094 N ALA A 78 1.771 14.009 15.940 1.00 0.00 N ATOM 1095 CA ALA A 78 1.861 15.479 16.162 1.00 0.00 C ATOM 1096 C ALA A 78 1.505 15.803 17.614 1.00 0.00 C ATOM 1097 O ALA A 78 2.237 16.483 18.306 1.00 0.00 O ATOM 1098 CB ALA A 78 0.884 16.198 15.229 1.00 0.00 C ATOM 0 H ALA A 78 0.953 13.698 15.416 1.00 0.00 H new ATOM 0 HA ALA A 78 2.878 15.812 15.954 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.950 17.274 15.392 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.137 15.972 14.193 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.132 15.861 15.437 1.00 0.00 H new ATOM 1104 N ALA A 79 0.385 15.325 18.081 1.00 0.00 N ATOM 1105 CA ALA A 79 -0.016 15.611 19.488 1.00 0.00 C ATOM 1106 C ALA A 79 1.072 15.110 20.438 1.00 0.00 C ATOM 1107 O ALA A 79 1.286 15.662 21.499 1.00 0.00 O ATOM 1108 CB ALA A 79 -1.334 14.899 19.799 1.00 0.00 C ATOM 0 H ALA A 79 -0.269 14.750 17.551 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.146 16.685 19.618 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.627 15.108 20.828 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.109 15.256 19.121 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.206 13.824 19.670 1.00 0.00 H new ATOM 1114 N SER A 80 1.764 14.068 20.065 1.00 0.00 N ATOM 1115 CA SER A 80 2.841 13.536 20.946 1.00 0.00 C ATOM 1116 C SER A 80 4.038 14.489 20.919 1.00 0.00 C ATOM 1117 O SER A 80 4.870 14.483 21.805 1.00 0.00 O ATOM 1118 CB SER A 80 3.275 12.156 20.445 1.00 0.00 C ATOM 1119 OG SER A 80 3.826 12.277 19.141 1.00 0.00 O ATOM 0 H SER A 80 1.630 13.563 19.189 1.00 0.00 H new ATOM 0 HA SER A 80 2.467 13.450 21.966 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.011 11.726 21.124 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.422 11.478 20.429 1.00 0.00 H new ATOM 0 HG SER A 80 3.551 13.132 18.748 1.00 0.00 H new ATOM 1125 N GLN A 81 4.132 15.309 19.908 1.00 0.00 N ATOM 1126 CA GLN A 81 5.274 16.263 19.820 1.00 0.00 C ATOM 1127 C GLN A 81 5.429 17.004 21.150 1.00 0.00 C ATOM 1128 O GLN A 81 6.524 17.230 21.623 1.00 0.00 O ATOM 1129 CB GLN A 81 5.010 17.276 18.702 1.00 0.00 C ATOM 1130 CG GLN A 81 4.820 16.538 17.376 1.00 0.00 C ATOM 1131 CD GLN A 81 4.406 17.538 16.293 1.00 0.00 C ATOM 1132 OE1 GLN A 81 5.085 17.595 15.179 1.00 0.00 O flip ATOM 1133 NE2 GLN A 81 3.456 18.276 16.463 1.00 0.00 N flip ATOM 0 H GLN A 81 3.466 15.359 19.137 1.00 0.00 H new ATOM 0 HA GLN A 81 6.188 15.711 19.604 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.122 17.864 18.933 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.844 17.974 18.625 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.745 16.037 17.090 1.00 0.00 H new ATOM 0 HG3 GLN A 81 4.059 15.765 17.483 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.925 18.232 17.333 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.189 18.940 15.736 1.00 0.00 H new ATOM 1142 N GLY A 82 4.339 17.384 21.753 1.00 0.00 N ATOM 1143 CA GLY A 82 4.418 18.112 23.052 1.00 0.00 C ATOM 1144 C GLY A 82 4.438 19.621 22.792 1.00 0.00 C ATOM 1145 O GLY A 82 4.593 20.414 23.700 1.00 0.00 O ATOM 0 H GLY A 82 3.395 17.222 21.403 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.565 17.852 23.679 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.315 17.814 23.594 1.00 0.00 H new ATOM 1149 N GLY A 83 4.282 20.026 21.560 1.00 0.00 N ATOM 1150 CA GLY A 83 4.294 21.483 21.247 1.00 0.00 C ATOM 1151 C GLY A 83 2.855 21.982 21.092 1.00 0.00 C ATOM 1152 O GLY A 83 1.929 21.408 21.628 1.00 0.00 O ATOM 0 H GLY A 83 4.147 19.411 20.758 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.798 22.033 22.042 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.854 21.665 20.330 1.00 0.00 H new ATOM 1156 N ASP A 84 2.663 23.047 20.363 1.00 0.00 N ATOM 1157 CA ASP A 84 1.285 23.581 20.175 1.00 0.00 C ATOM 1158 C ASP A 84 0.455 22.574 19.377 1.00 0.00 C ATOM 1159 O ASP A 84 0.619 22.430 18.182 1.00 0.00 O ATOM 1160 CB ASP A 84 1.351 24.907 19.412 1.00 0.00 C ATOM 1161 CG ASP A 84 -0.024 25.578 19.438 1.00 0.00 C ATOM 1162 OD1 ASP A 84 -0.908 25.050 20.093 1.00 0.00 O ATOM 1163 OD2 ASP A 84 -0.171 26.609 18.801 1.00 0.00 O ATOM 0 H ASP A 84 3.400 23.570 19.890 1.00 0.00 H new ATOM 0 HA ASP A 84 0.822 23.745 21.148 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.096 25.562 19.863 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.663 24.732 18.382 1.00 0.00 H new ATOM 1168 N LEU A 85 -0.434 21.875 20.027 1.00 0.00 N ATOM 1169 CA LEU A 85 -1.272 20.878 19.303 1.00 0.00 C ATOM 1170 C LEU A 85 -2.222 21.605 18.349 1.00 0.00 C ATOM 1171 O LEU A 85 -2.822 21.005 17.478 1.00 0.00 O ATOM 1172 CB LEU A 85 -2.085 20.067 20.315 1.00 0.00 C ATOM 1173 CG LEU A 85 -2.876 18.984 19.581 1.00 0.00 C ATOM 1174 CD1 LEU A 85 -1.939 18.197 18.663 1.00 0.00 C ATOM 1175 CD2 LEU A 85 -3.505 18.032 20.601 1.00 0.00 C ATOM 0 H LEU A 85 -0.616 21.951 21.028 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.629 20.208 18.732 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.421 19.612 21.050 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.764 20.722 20.861 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.660 19.451 18.985 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.505 17.425 18.141 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.490 18.873 17.935 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.154 17.731 19.258 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.069 17.260 20.078 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.720 17.567 21.197 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.175 18.590 21.255 1.00 0.00 H new ATOM 1187 N GLY A 86 -2.366 22.893 18.507 1.00 0.00 N ATOM 1188 CA GLY A 86 -3.281 23.654 17.609 1.00 0.00 C ATOM 1189 C GLY A 86 -2.669 23.741 16.208 1.00 0.00 C ATOM 1190 O GLY A 86 -3.371 23.762 15.216 1.00 0.00 O ATOM 0 H GLY A 86 -1.891 23.450 19.217 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.253 23.163 17.563 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.448 24.655 18.007 1.00 0.00 H new ATOM 1194 N VAL A 87 -1.368 23.794 16.117 1.00 0.00 N ATOM 1195 CA VAL A 87 -0.720 23.881 14.778 1.00 0.00 C ATOM 1196 C VAL A 87 -0.893 22.555 14.040 1.00 0.00 C ATOM 1197 O VAL A 87 -1.064 22.523 12.838 1.00 0.00 O ATOM 1198 CB VAL A 87 0.771 24.189 14.946 1.00 0.00 C ATOM 1199 CG1 VAL A 87 1.508 22.936 15.424 1.00 0.00 C ATOM 1200 CG2 VAL A 87 1.351 24.638 13.603 1.00 0.00 C ATOM 0 H VAL A 87 -0.727 23.781 16.910 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.188 24.679 14.201 1.00 0.00 H new ATOM 0 HB VAL A 87 0.894 24.982 15.683 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.568 23.160 15.542 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.096 22.615 16.381 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.385 22.139 14.690 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.412 24.858 13.720 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.224 23.843 12.868 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.830 25.533 13.263 1.00 0.00 H new ATOM 1210 N THR A 88 -0.854 21.457 14.745 1.00 0.00 N ATOM 1211 CA THR A 88 -1.022 20.146 14.063 1.00 0.00 C ATOM 1212 C THR A 88 -2.284 20.198 13.209 1.00 0.00 C ATOM 1213 O THR A 88 -2.364 19.591 12.160 1.00 0.00 O ATOM 1214 CB THR A 88 -1.158 19.029 15.098 1.00 0.00 C ATOM 1215 OG1 THR A 88 0.038 18.939 15.860 1.00 0.00 O ATOM 1216 CG2 THR A 88 -1.411 17.703 14.377 1.00 0.00 C ATOM 0 H THR A 88 -0.714 21.412 15.754 1.00 0.00 H new ATOM 0 HA THR A 88 -0.151 19.946 13.439 1.00 0.00 H new ATOM 0 HB THR A 88 -1.992 19.246 15.765 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.040 19.636 16.549 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.509 16.903 15.111 1.00 0.00 H new ATOM 0 HG22 THR A 88 -2.329 17.775 13.794 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.575 17.485 13.712 1.00 0.00 H new ATOM 1224 N THR A 89 -3.269 20.933 13.644 1.00 0.00 N ATOM 1225 CA THR A 89 -4.520 21.037 12.848 1.00 0.00 C ATOM 1226 C THR A 89 -4.164 21.588 11.471 1.00 0.00 C ATOM 1227 O THR A 89 -4.588 21.077 10.455 1.00 0.00 O ATOM 1228 CB THR A 89 -5.500 21.983 13.544 1.00 0.00 C ATOM 1229 OG1 THR A 89 -5.741 21.525 14.867 1.00 0.00 O ATOM 1230 CG2 THR A 89 -6.817 22.020 12.767 1.00 0.00 C ATOM 0 H THR A 89 -3.261 21.465 14.515 1.00 0.00 H new ATOM 0 HA THR A 89 -4.988 20.057 12.753 1.00 0.00 H new ATOM 0 HB THR A 89 -5.073 22.985 13.579 1.00 0.00 H new ATOM 0 HG1 THR A 89 -6.367 22.132 15.314 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.514 22.694 13.264 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.631 22.373 11.753 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.246 21.018 12.729 1.00 0.00 H new ATOM 1238 N ASN A 90 -3.373 22.625 11.433 1.00 0.00 N ATOM 1239 CA ASN A 90 -2.971 23.206 10.126 1.00 0.00 C ATOM 1240 C ASN A 90 -2.010 22.244 9.425 1.00 0.00 C ATOM 1241 O ASN A 90 -2.052 22.072 8.224 1.00 0.00 O ATOM 1242 CB ASN A 90 -2.270 24.547 10.358 1.00 0.00 C ATOM 1243 CG ASN A 90 -3.245 25.525 11.016 1.00 0.00 C ATOM 1244 OD1 ASN A 90 -4.443 25.326 10.977 1.00 0.00 O ATOM 1245 ND2 ASN A 90 -2.778 26.581 11.625 1.00 0.00 N ATOM 0 H ASN A 90 -2.988 23.094 12.253 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.854 23.362 9.506 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -1.395 24.407 10.993 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.915 24.953 9.411 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.419 27.239 12.068 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.772 26.748 11.658 1.00 0.00 H new ATOM 1252 N ALA A 91 -1.140 21.618 10.172 1.00 0.00 N ATOM 1253 CA ALA A 91 -0.168 20.667 9.562 1.00 0.00 C ATOM 1254 C ALA A 91 -0.905 19.430 9.043 1.00 0.00 C ATOM 1255 O ALA A 91 -0.807 19.078 7.885 1.00 0.00 O ATOM 1256 CB ALA A 91 0.855 20.244 10.618 1.00 0.00 C ATOM 0 H ALA A 91 -1.061 21.726 11.183 1.00 0.00 H new ATOM 0 HA ALA A 91 0.340 21.155 8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.568 19.548 10.176 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.385 21.123 10.984 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.342 19.759 11.448 1.00 0.00 H new ATOM 1262 N ILE A 92 -1.639 18.765 9.892 1.00 0.00 N ATOM 1263 CA ILE A 92 -2.374 17.547 9.448 1.00 0.00 C ATOM 1264 C ILE A 92 -3.466 17.937 8.449 1.00 0.00 C ATOM 1265 O ILE A 92 -3.652 17.291 7.436 1.00 0.00 O ATOM 1266 CB ILE A 92 -3.012 16.869 10.663 1.00 0.00 C ATOM 1267 CG1 ILE A 92 -1.915 16.347 11.593 1.00 0.00 C ATOM 1268 CG2 ILE A 92 -3.884 15.703 10.196 1.00 0.00 C ATOM 1269 CD1 ILE A 92 -2.555 15.663 12.803 1.00 0.00 C ATOM 0 H ILE A 92 -1.762 19.012 10.874 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.678 16.859 8.968 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.628 17.591 11.200 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.276 15.643 11.060 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.279 17.170 11.921 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.339 15.220 11.061 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.667 16.076 9.535 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.269 14.981 9.659 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.774 15.291 13.466 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.176 16.380 13.340 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.172 14.830 12.466 1.00 0.00 H new ATOM 1281 N ALA A 93 -4.196 18.982 8.727 1.00 0.00 N ATOM 1282 CA ALA A 93 -5.281 19.403 7.794 1.00 0.00 C ATOM 1283 C ALA A 93 -4.678 19.835 6.455 1.00 0.00 C ATOM 1284 O ALA A 93 -5.097 19.394 5.404 1.00 0.00 O ATOM 1285 CB ALA A 93 -6.051 20.576 8.403 1.00 0.00 C ATOM 0 H ALA A 93 -4.089 19.563 9.559 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.957 18.564 7.631 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.844 20.884 7.721 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.488 20.270 9.354 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -5.370 21.411 8.569 1.00 0.00 H new ATOM 1291 N ASP A 94 -3.705 20.702 6.483 1.00 0.00 N ATOM 1292 CA ASP A 94 -3.084 21.171 5.211 1.00 0.00 C ATOM 1293 C ASP A 94 -2.590 19.972 4.398 1.00 0.00 C ATOM 1294 O ASP A 94 -2.770 19.910 3.198 1.00 0.00 O ATOM 1295 CB ASP A 94 -1.904 22.087 5.531 1.00 0.00 C ATOM 1296 CG ASP A 94 -2.423 23.423 6.067 1.00 0.00 C ATOM 1297 OD1 ASP A 94 -3.624 23.632 6.015 1.00 0.00 O ATOM 1298 OD2 ASP A 94 -1.612 24.212 6.520 1.00 0.00 O ATOM 0 H ASP A 94 -3.312 21.107 7.332 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.827 21.717 4.629 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.254 21.616 6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.304 22.251 4.636 1.00 0.00 H new ATOM 1303 N ALA A 95 -1.967 19.020 5.037 1.00 0.00 N ATOM 1304 CA ALA A 95 -1.465 17.833 4.290 1.00 0.00 C ATOM 1305 C ALA A 95 -2.654 17.016 3.782 1.00 0.00 C ATOM 1306 O ALA A 95 -2.654 16.523 2.673 1.00 0.00 O ATOM 1307 CB ALA A 95 -0.612 16.968 5.221 1.00 0.00 C ATOM 0 H ALA A 95 -1.785 19.013 6.041 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.860 18.162 3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -0.244 16.099 4.675 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.233 17.551 5.587 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.217 16.637 6.065 1.00 0.00 H new ATOM 1313 N LEU A 96 -3.665 16.873 4.590 1.00 0.00 N ATOM 1314 CA LEU A 96 -4.859 16.091 4.165 1.00 0.00 C ATOM 1315 C LEU A 96 -5.623 16.858 3.083 1.00 0.00 C ATOM 1316 O LEU A 96 -6.201 16.275 2.186 1.00 0.00 O ATOM 1317 CB LEU A 96 -5.773 15.872 5.370 1.00 0.00 C ATOM 1318 CG LEU A 96 -6.239 14.417 5.394 1.00 0.00 C ATOM 1319 CD1 LEU A 96 -5.929 13.807 6.762 1.00 0.00 C ATOM 1320 CD2 LEU A 96 -7.746 14.364 5.137 1.00 0.00 C ATOM 0 H LEU A 96 -3.717 17.265 5.530 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.537 15.129 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.242 16.111 6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -6.632 16.540 5.315 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.719 13.852 4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.261 12.769 6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.855 13.848 6.944 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.450 14.369 7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.082 13.327 5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.267 14.926 5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.964 14.801 4.162 1.00 0.00 H new ATOM 1332 N THR A 97 -5.641 18.159 3.167 1.00 0.00 N ATOM 1333 CA THR A 97 -6.379 18.961 2.150 1.00 0.00 C ATOM 1334 C THR A 97 -5.687 18.846 0.788 1.00 0.00 C ATOM 1335 O THR A 97 -6.311 18.551 -0.212 1.00 0.00 O ATOM 1336 CB THR A 97 -6.409 20.427 2.589 1.00 0.00 C ATOM 1337 OG1 THR A 97 -7.173 20.546 3.781 1.00 0.00 O ATOM 1338 CG2 THR A 97 -7.042 21.280 1.489 1.00 0.00 C ATOM 0 H THR A 97 -5.177 18.702 3.895 1.00 0.00 H new ATOM 0 HA THR A 97 -7.397 18.582 2.062 1.00 0.00 H new ATOM 0 HB THR A 97 -5.391 20.772 2.772 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.192 21.484 4.065 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.062 22.323 1.804 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.456 21.188 0.575 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.060 20.937 1.303 1.00 0.00 H new ATOM 1346 N SER A 98 -4.406 19.082 0.740 1.00 0.00 N ATOM 1347 CA SER A 98 -3.677 18.993 -0.558 1.00 0.00 C ATOM 1348 C SER A 98 -3.803 17.579 -1.130 1.00 0.00 C ATOM 1349 O SER A 98 -3.883 17.390 -2.328 1.00 0.00 O ATOM 1350 CB SER A 98 -2.199 19.319 -0.332 1.00 0.00 C ATOM 1351 OG SER A 98 -1.537 19.412 -1.585 1.00 0.00 O ATOM 0 H SER A 98 -3.831 19.333 1.544 1.00 0.00 H new ATOM 0 HA SER A 98 -4.108 19.705 -1.262 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.102 20.258 0.213 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.735 18.546 0.280 1.00 0.00 H new ATOM 0 HG SER A 98 -0.591 19.622 -1.440 1.00 0.00 H new ATOM 1357 N ALA A 99 -3.816 16.586 -0.287 1.00 0.00 N ATOM 1358 CA ALA A 99 -3.929 15.188 -0.790 1.00 0.00 C ATOM 1359 C ALA A 99 -5.334 14.954 -1.356 1.00 0.00 C ATOM 1360 O ALA A 99 -5.501 14.355 -2.399 1.00 0.00 O ATOM 1361 CB ALA A 99 -3.672 14.212 0.360 1.00 0.00 C ATOM 0 H ALA A 99 -3.753 16.680 0.727 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.193 15.026 -1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.754 13.189 -0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.671 14.375 0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.408 14.376 1.148 1.00 0.00 H new ATOM 1367 N PHE A 100 -6.342 15.418 -0.673 1.00 0.00 N ATOM 1368 CA PHE A 100 -7.735 15.218 -1.167 1.00 0.00 C ATOM 1369 C PHE A 100 -7.821 15.577 -2.654 1.00 0.00 C ATOM 1370 O PHE A 100 -8.262 14.790 -3.467 1.00 0.00 O ATOM 1371 CB PHE A 100 -8.685 16.123 -0.380 1.00 0.00 C ATOM 1372 CG PHE A 100 -9.465 15.301 0.618 1.00 0.00 C ATOM 1373 CD1 PHE A 100 -10.395 14.353 0.173 1.00 0.00 C ATOM 1374 CD2 PHE A 100 -9.261 15.489 1.990 1.00 0.00 C ATOM 1375 CE1 PHE A 100 -11.121 13.595 1.100 1.00 0.00 C ATOM 1376 CE2 PHE A 100 -9.986 14.732 2.917 1.00 0.00 C ATOM 1377 CZ PHE A 100 -10.917 13.786 2.472 1.00 0.00 C ATOM 0 H PHE A 100 -6.263 15.928 0.207 1.00 0.00 H new ATOM 0 HA PHE A 100 -8.015 14.173 -1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.119 16.898 0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -9.369 16.629 -1.062 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.552 14.207 -0.885 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.543 16.219 2.334 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.838 12.864 0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -9.827 14.877 3.975 1.00 0.00 H new ATOM 0 HZ PHE A 100 -11.478 13.203 3.187 1.00 0.00 H new ATOM 1387 N TYR A 101 -7.418 16.764 -3.010 1.00 0.00 N ATOM 1388 CA TYR A 101 -7.491 17.187 -4.438 1.00 0.00 C ATOM 1389 C TYR A 101 -6.436 16.453 -5.268 1.00 0.00 C ATOM 1390 O TYR A 101 -6.638 16.165 -6.432 1.00 0.00 O ATOM 1391 CB TYR A 101 -7.259 18.695 -4.514 1.00 0.00 C ATOM 1392 CG TYR A 101 -7.998 19.358 -3.376 1.00 0.00 C ATOM 1393 CD1 TYR A 101 -9.345 19.047 -3.148 1.00 0.00 C ATOM 1394 CD2 TYR A 101 -7.342 20.276 -2.549 1.00 0.00 C ATOM 1395 CE1 TYR A 101 -10.035 19.654 -2.092 1.00 0.00 C ATOM 1396 CE2 TYR A 101 -8.032 20.884 -1.493 1.00 0.00 C ATOM 1397 CZ TYR A 101 -9.379 20.573 -1.265 1.00 0.00 C ATOM 1398 OH TYR A 101 -10.059 21.173 -0.224 1.00 0.00 O ATOM 0 H TYR A 101 -7.039 17.463 -2.371 1.00 0.00 H new ATOM 0 HA TYR A 101 -8.473 16.940 -4.841 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.194 18.917 -4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -7.611 19.083 -5.470 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -9.851 18.339 -3.787 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.304 20.516 -2.725 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -11.073 19.413 -1.916 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.526 21.593 -0.854 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.983 20.847 -0.206 1.00 0.00 H new ATOM 1408 N GLN A 102 -5.311 16.152 -4.686 1.00 0.00 N ATOM 1409 CA GLN A 102 -4.244 15.443 -5.447 1.00 0.00 C ATOM 1410 C GLN A 102 -4.602 13.963 -5.606 1.00 0.00 C ATOM 1411 O GLN A 102 -4.050 13.273 -6.440 1.00 0.00 O ATOM 1412 CB GLN A 102 -2.920 15.563 -4.693 1.00 0.00 C ATOM 1413 CG GLN A 102 -2.474 17.025 -4.669 1.00 0.00 C ATOM 1414 CD GLN A 102 -2.071 17.461 -6.080 1.00 0.00 C ATOM 1415 OE1 GLN A 102 -1.327 16.774 -6.751 1.00 0.00 O ATOM 1416 NE2 GLN A 102 -2.533 18.583 -6.558 1.00 0.00 N ATOM 0 H GLN A 102 -5.083 16.366 -3.715 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.152 15.895 -6.434 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.035 15.191 -3.675 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.159 14.948 -5.174 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.282 17.656 -4.299 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -1.634 17.149 -3.985 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.158 19.159 -5.994 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -2.270 18.885 -7.496 1.00 0.00 H new ATOM 1425 N THR A 103 -5.501 13.457 -4.805 1.00 0.00 N ATOM 1426 CA THR A 103 -5.851 12.011 -4.919 1.00 0.00 C ATOM 1427 C THR A 103 -7.212 11.827 -5.604 1.00 0.00 C ATOM 1428 O THR A 103 -7.309 11.177 -6.626 1.00 0.00 O ATOM 1429 CB THR A 103 -5.895 11.387 -3.522 1.00 0.00 C ATOM 1430 OG1 THR A 103 -6.956 11.967 -2.778 1.00 0.00 O ATOM 1431 CG2 THR A 103 -4.568 11.640 -2.804 1.00 0.00 C ATOM 0 H THR A 103 -6.003 13.975 -4.084 1.00 0.00 H new ATOM 0 HA THR A 103 -5.091 11.518 -5.525 1.00 0.00 H new ATOM 0 HB THR A 103 -6.058 10.313 -3.610 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.709 12.877 -2.510 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.602 11.195 -1.810 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.754 11.192 -3.375 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.401 12.714 -2.715 1.00 0.00 H new ATOM 1439 N THR A 104 -8.268 12.368 -5.054 1.00 0.00 N ATOM 1440 CA THR A 104 -9.605 12.179 -5.695 1.00 0.00 C ATOM 1441 C THR A 104 -10.290 13.527 -5.939 1.00 0.00 C ATOM 1442 O THR A 104 -10.873 13.753 -6.980 1.00 0.00 O ATOM 1443 CB THR A 104 -10.483 11.327 -4.780 1.00 0.00 C ATOM 1444 OG1 THR A 104 -10.863 12.093 -3.645 1.00 0.00 O ATOM 1445 CG2 THR A 104 -9.701 10.092 -4.328 1.00 0.00 C ATOM 0 H THR A 104 -8.265 12.926 -4.200 1.00 0.00 H new ATOM 0 HA THR A 104 -9.464 11.683 -6.655 1.00 0.00 H new ATOM 0 HB THR A 104 -11.376 11.011 -5.320 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.068 12.507 -3.249 1.00 0.00 H new ATOM 0 HG21 THR A 104 -10.327 9.484 -3.675 1.00 0.00 H new ATOM 0 HG22 THR A 104 -9.410 9.506 -5.200 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.808 10.405 -3.786 1.00 0.00 H new ATOM 1453 N GLY A 105 -10.233 14.424 -4.994 1.00 0.00 N ATOM 1454 CA GLY A 105 -10.893 15.746 -5.193 1.00 0.00 C ATOM 1455 C GLY A 105 -12.137 15.847 -4.307 1.00 0.00 C ATOM 1456 O GLY A 105 -13.191 16.260 -4.748 1.00 0.00 O ATOM 0 H GLY A 105 -9.761 14.301 -4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.197 16.549 -4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -11.171 15.870 -6.240 1.00 0.00 H new ATOM 1460 N VAL A 106 -12.023 15.483 -3.060 1.00 0.00 N ATOM 1461 CA VAL A 106 -13.199 15.571 -2.152 1.00 0.00 C ATOM 1462 C VAL A 106 -12.985 16.720 -1.166 1.00 0.00 C ATOM 1463 O VAL A 106 -11.925 17.311 -1.109 1.00 0.00 O ATOM 1464 CB VAL A 106 -13.353 14.260 -1.382 1.00 0.00 C ATOM 1465 CG1 VAL A 106 -14.736 14.212 -0.728 1.00 0.00 C ATOM 1466 CG2 VAL A 106 -13.205 13.083 -2.346 1.00 0.00 C ATOM 0 H VAL A 106 -11.168 15.129 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 106 -14.101 15.751 -2.738 1.00 0.00 H new ATOM 0 HB VAL A 106 -12.584 14.198 -0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -14.846 13.277 -0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -14.843 15.051 -0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -15.505 14.273 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -13.315 12.147 -1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -13.974 13.144 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -12.221 13.117 -2.813 1.00 0.00 H new ATOM 1476 N VAL A 107 -13.981 17.044 -0.389 1.00 0.00 N ATOM 1477 CA VAL A 107 -13.827 18.157 0.587 1.00 0.00 C ATOM 1478 C VAL A 107 -12.936 17.705 1.748 1.00 0.00 C ATOM 1479 O VAL A 107 -13.241 16.758 2.445 1.00 0.00 O ATOM 1480 CB VAL A 107 -15.201 18.547 1.129 1.00 0.00 C ATOM 1481 CG1 VAL A 107 -15.991 19.278 0.041 1.00 0.00 C ATOM 1482 CG2 VAL A 107 -15.953 17.281 1.548 1.00 0.00 C ATOM 0 H VAL A 107 -14.893 16.587 -0.388 1.00 0.00 H new ATOM 0 HA VAL A 107 -13.369 19.013 0.091 1.00 0.00 H new ATOM 0 HB VAL A 107 -15.084 19.205 1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -16.971 19.556 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -15.451 20.176 -0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.114 18.623 -0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.935 17.553 1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -16.072 16.626 0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -15.388 16.762 2.322 1.00 0.00 H new ATOM 1492 N ASN A 108 -11.843 18.381 1.962 1.00 0.00 N ATOM 1493 CA ASN A 108 -10.932 17.999 3.078 1.00 0.00 C ATOM 1494 C ASN A 108 -11.578 18.354 4.418 1.00 0.00 C ATOM 1495 O ASN A 108 -11.254 17.790 5.445 1.00 0.00 O ATOM 1496 CB ASN A 108 -9.613 18.758 2.934 1.00 0.00 C ATOM 1497 CG ASN A 108 -9.849 20.246 3.204 1.00 0.00 C ATOM 1498 OD1 ASN A 108 -10.011 20.651 4.338 1.00 0.00 O ATOM 1499 ND2 ASN A 108 -9.879 21.082 2.203 1.00 0.00 N ATOM 0 H ASN A 108 -11.540 19.184 1.411 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.746 16.926 3.042 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.876 18.363 3.633 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -9.209 18.619 1.931 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -10.038 22.075 2.373 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -9.743 20.743 1.251 1.00 0.00 H new ATOM 1506 N SER A 109 -12.477 19.296 4.417 1.00 0.00 N ATOM 1507 CA SER A 109 -13.135 19.708 5.689 1.00 0.00 C ATOM 1508 C SER A 109 -13.874 18.522 6.314 1.00 0.00 C ATOM 1509 O SER A 109 -14.014 18.436 7.517 1.00 0.00 O ATOM 1510 CB SER A 109 -14.132 20.832 5.402 1.00 0.00 C ATOM 1511 OG SER A 109 -13.448 21.931 4.817 1.00 0.00 O ATOM 0 H SER A 109 -12.787 19.801 3.587 1.00 0.00 H new ATOM 0 HA SER A 109 -12.372 20.056 6.386 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.914 20.477 4.731 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.621 21.143 6.325 1.00 0.00 H new ATOM 0 HG SER A 109 -14.086 22.652 4.631 1.00 0.00 H new ATOM 1517 N ARG A 110 -14.366 17.615 5.515 1.00 0.00 N ATOM 1518 CA ARG A 110 -15.109 16.455 6.086 1.00 0.00 C ATOM 1519 C ARG A 110 -14.155 15.540 6.861 1.00 0.00 C ATOM 1520 O ARG A 110 -14.373 15.244 8.019 1.00 0.00 O ATOM 1521 CB ARG A 110 -15.757 15.664 4.949 1.00 0.00 C ATOM 1522 CG ARG A 110 -16.735 14.641 5.527 1.00 0.00 C ATOM 1523 CD ARG A 110 -17.343 13.825 4.387 1.00 0.00 C ATOM 1524 NE ARG A 110 -18.089 14.734 3.472 1.00 0.00 N ATOM 1525 CZ ARG A 110 -19.390 14.671 3.409 1.00 0.00 C ATOM 1526 NH1 ARG A 110 -19.964 13.716 2.729 1.00 0.00 N ATOM 1527 NH2 ARG A 110 -20.117 15.560 4.027 1.00 0.00 N ATOM 0 H ARG A 110 -14.287 17.626 4.498 1.00 0.00 H new ATOM 0 HA ARG A 110 -15.875 16.825 6.768 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -16.280 16.341 4.274 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -14.991 15.158 4.362 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -16.220 13.983 6.226 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -17.521 15.148 6.087 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -16.558 13.303 3.839 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -18.013 13.063 4.787 1.00 0.00 H new ATOM 0 HE ARG A 110 -17.582 15.405 2.895 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -19.395 13.020 2.247 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -20.982 13.666 2.679 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -19.668 16.305 4.560 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -21.135 15.510 3.977 1.00 0.00 H new ATOM 1541 N PHE A 111 -13.101 15.087 6.237 1.00 0.00 N ATOM 1542 CA PHE A 111 -12.144 14.190 6.950 1.00 0.00 C ATOM 1543 C PHE A 111 -11.280 15.007 7.914 1.00 0.00 C ATOM 1544 O PHE A 111 -11.133 14.670 9.071 1.00 0.00 O ATOM 1545 CB PHE A 111 -11.245 13.484 5.934 1.00 0.00 C ATOM 1546 CG PHE A 111 -10.567 12.307 6.597 1.00 0.00 C ATOM 1547 CD1 PHE A 111 -11.244 11.087 6.720 1.00 0.00 C ATOM 1548 CD2 PHE A 111 -9.263 12.437 7.091 1.00 0.00 C ATOM 1549 CE1 PHE A 111 -10.617 9.997 7.337 1.00 0.00 C ATOM 1550 CE2 PHE A 111 -8.638 11.347 7.709 1.00 0.00 C ATOM 1551 CZ PHE A 111 -9.314 10.127 7.831 1.00 0.00 C ATOM 0 H PHE A 111 -12.861 15.298 5.268 1.00 0.00 H new ATOM 0 HA PHE A 111 -12.708 13.448 7.515 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -11.836 13.146 5.083 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -10.498 14.178 5.548 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -12.250 10.987 6.339 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -8.740 13.377 6.995 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -11.139 9.056 7.432 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -7.633 11.447 8.092 1.00 0.00 H new ATOM 0 HZ PHE A 111 -8.830 9.286 8.306 1.00 0.00 H new ATOM 1561 N ILE A 112 -10.693 16.070 7.436 1.00 0.00 N ATOM 1562 CA ILE A 112 -9.820 16.906 8.310 1.00 0.00 C ATOM 1563 C ILE A 112 -10.598 17.377 9.542 1.00 0.00 C ATOM 1564 O ILE A 112 -10.068 17.427 10.635 1.00 0.00 O ATOM 1565 CB ILE A 112 -9.324 18.116 7.515 1.00 0.00 C ATOM 1566 CG1 ILE A 112 -8.386 17.641 6.402 1.00 0.00 C ATOM 1567 CG2 ILE A 112 -8.567 19.069 8.443 1.00 0.00 C ATOM 1568 CD1 ILE A 112 -7.783 18.852 5.688 1.00 0.00 C ATOM 0 H ILE A 112 -10.781 16.397 6.474 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.969 16.311 8.643 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.177 18.637 7.080 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -7.593 17.021 6.821 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -8.933 17.022 5.691 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.216 19.929 7.873 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.232 19.407 9.238 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.714 18.550 8.880 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -7.116 18.512 4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -8.582 19.455 5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -7.221 19.453 6.403 1.00 0.00 H new ATOM 1580 N SER A 113 -11.844 17.728 9.383 1.00 0.00 N ATOM 1581 CA SER A 113 -12.635 18.198 10.558 1.00 0.00 C ATOM 1582 C SER A 113 -12.689 17.092 11.615 1.00 0.00 C ATOM 1583 O SER A 113 -12.616 17.350 12.800 1.00 0.00 O ATOM 1584 CB SER A 113 -14.055 18.551 10.113 1.00 0.00 C ATOM 1585 OG SER A 113 -14.039 19.788 9.417 1.00 0.00 O ATOM 0 H SER A 113 -12.348 17.711 8.496 1.00 0.00 H new ATOM 0 HA SER A 113 -12.160 19.082 10.983 1.00 0.00 H new ATOM 0 HB2 SER A 113 -14.452 17.765 9.471 1.00 0.00 H new ATOM 0 HB3 SER A 113 -14.713 18.617 10.979 1.00 0.00 H new ATOM 0 HG SER A 113 -14.119 19.623 8.454 1.00 0.00 H new ATOM 1591 N GLU A 114 -12.814 15.862 11.197 1.00 0.00 N ATOM 1592 CA GLU A 114 -12.872 14.742 12.178 1.00 0.00 C ATOM 1593 C GLU A 114 -11.515 14.605 12.875 1.00 0.00 C ATOM 1594 O GLU A 114 -11.439 14.361 14.064 1.00 0.00 O ATOM 1595 CB GLU A 114 -13.206 13.440 11.449 1.00 0.00 C ATOM 1596 CG GLU A 114 -14.600 13.547 10.826 1.00 0.00 C ATOM 1597 CD GLU A 114 -14.952 12.230 10.131 1.00 0.00 C ATOM 1598 OE1 GLU A 114 -14.072 11.395 10.006 1.00 0.00 O ATOM 1599 OE2 GLU A 114 -16.097 12.078 9.737 1.00 0.00 O ATOM 0 H GLU A 114 -12.878 15.584 10.218 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.643 14.949 12.920 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.464 13.244 10.675 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.170 12.602 12.145 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -15.338 13.772 11.596 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.627 14.367 10.109 1.00 0.00 H new ATOM 1606 N ILE A 115 -10.444 14.759 12.145 1.00 0.00 N ATOM 1607 CA ILE A 115 -9.093 14.638 12.766 1.00 0.00 C ATOM 1608 C ILE A 115 -8.838 15.844 13.671 1.00 0.00 C ATOM 1609 O ILE A 115 -8.325 15.716 14.764 1.00 0.00 O ATOM 1610 CB ILE A 115 -8.029 14.595 11.667 1.00 0.00 C ATOM 1611 CG1 ILE A 115 -8.294 13.401 10.747 1.00 0.00 C ATOM 1612 CG2 ILE A 115 -6.644 14.455 12.302 1.00 0.00 C ATOM 1613 CD1 ILE A 115 -7.356 13.469 9.540 1.00 0.00 C ATOM 0 H ILE A 115 -10.445 14.963 11.146 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.046 13.723 13.356 1.00 0.00 H new ATOM 0 HB ILE A 115 -8.069 15.516 11.086 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -8.139 12.469 11.290 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -9.332 13.407 10.415 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -5.886 14.424 11.519 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -6.456 15.306 12.956 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -6.602 13.534 12.884 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -7.544 12.619 8.884 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -7.533 14.395 8.993 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.321 13.442 9.881 1.00 0.00 H new ATOM 1625 N ARG A 116 -9.194 17.015 13.221 1.00 0.00 N ATOM 1626 CA ARG A 116 -8.973 18.233 14.050 1.00 0.00 C ATOM 1627 C ARG A 116 -9.619 18.040 15.425 1.00 0.00 C ATOM 1628 O ARG A 116 -9.049 18.379 16.443 1.00 0.00 O ATOM 1629 CB ARG A 116 -9.602 19.440 13.346 1.00 0.00 C ATOM 1630 CG ARG A 116 -9.741 20.603 14.332 1.00 0.00 C ATOM 1631 CD ARG A 116 -9.980 21.901 13.560 1.00 0.00 C ATOM 1632 NE ARG A 116 -9.839 23.060 14.485 1.00 0.00 N ATOM 1633 CZ ARG A 116 -10.713 24.028 14.453 1.00 0.00 C ATOM 1634 NH1 ARG A 116 -11.962 23.789 14.749 1.00 0.00 N ATOM 1635 NH2 ARG A 116 -10.338 25.235 14.129 1.00 0.00 N ATOM 0 H ARG A 116 -9.629 17.181 12.314 1.00 0.00 H new ATOM 0 HA ARG A 116 -7.904 18.403 14.179 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -8.985 19.741 12.500 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -10.580 19.171 12.947 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -10.569 20.417 15.016 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -8.839 20.689 14.939 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -9.266 21.987 12.741 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -10.975 21.895 13.116 1.00 0.00 H new ATOM 0 HE ARG A 116 -9.060 23.097 15.143 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -12.254 22.846 15.005 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -12.646 24.545 14.724 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -9.362 25.422 13.901 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -11.021 25.992 14.104 1.00 0.00 H new ATOM 1649 N SER A 117 -10.805 17.498 15.464 1.00 0.00 N ATOM 1650 CA SER A 117 -11.486 17.286 16.773 1.00 0.00 C ATOM 1651 C SER A 117 -10.816 16.131 17.521 1.00 0.00 C ATOM 1652 O SER A 117 -10.736 16.128 18.732 1.00 0.00 O ATOM 1653 CB SER A 117 -12.960 16.952 16.533 1.00 0.00 C ATOM 1654 OG SER A 117 -13.537 17.937 15.688 1.00 0.00 O ATOM 0 H SER A 117 -11.332 17.193 14.646 1.00 0.00 H new ATOM 0 HA SER A 117 -11.411 18.195 17.370 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.051 15.967 16.076 1.00 0.00 H new ATOM 0 HB3 SER A 117 -13.494 16.913 17.482 1.00 0.00 H new ATOM 0 HG SER A 117 -13.247 17.786 14.764 1.00 0.00 H new ATOM 1660 N LEU A 118 -10.340 15.147 16.808 1.00 0.00 N ATOM 1661 CA LEU A 118 -9.681 13.991 17.481 1.00 0.00 C ATOM 1662 C LEU A 118 -8.353 14.438 18.098 1.00 0.00 C ATOM 1663 O LEU A 118 -8.016 14.063 19.203 1.00 0.00 O ATOM 1664 CB LEU A 118 -9.420 12.888 16.455 1.00 0.00 C ATOM 1665 CG LEU A 118 -10.753 12.296 15.996 1.00 0.00 C ATOM 1666 CD1 LEU A 118 -10.594 11.704 14.593 1.00 0.00 C ATOM 1667 CD2 LEU A 118 -11.183 11.197 16.969 1.00 0.00 C ATOM 0 H LEU A 118 -10.379 15.093 15.790 1.00 0.00 H new ATOM 0 HA LEU A 118 -10.333 13.613 18.268 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -8.875 13.292 15.601 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.795 12.109 16.893 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.511 13.079 15.974 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -11.544 11.282 14.266 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -10.287 12.488 13.900 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -9.837 10.920 14.612 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -12.133 10.774 16.643 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.425 10.414 16.991 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -11.297 11.619 17.967 1.00 0.00 H new ATOM 1679 N ILE A 119 -7.594 15.231 17.393 1.00 0.00 N ATOM 1680 CA ILE A 119 -6.289 15.693 17.944 1.00 0.00 C ATOM 1681 C ILE A 119 -6.518 16.417 19.274 1.00 0.00 C ATOM 1682 O ILE A 119 -5.759 16.269 20.211 1.00 0.00 O ATOM 1683 CB ILE A 119 -5.624 16.649 16.951 1.00 0.00 C ATOM 1684 CG1 ILE A 119 -5.435 15.939 15.609 1.00 0.00 C ATOM 1685 CG2 ILE A 119 -4.261 17.082 17.495 1.00 0.00 C ATOM 1686 CD1 ILE A 119 -5.152 16.977 14.520 1.00 0.00 C ATOM 0 H ILE A 119 -7.820 15.578 16.461 1.00 0.00 H new ATOM 0 HA ILE A 119 -5.642 14.831 18.108 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.255 17.527 16.812 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -4.610 15.229 15.674 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -6.329 15.367 15.358 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -3.787 17.763 16.788 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -4.395 17.587 18.452 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -3.629 16.205 17.633 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -5.017 16.473 13.563 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -5.991 17.669 14.450 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -4.246 17.529 14.770 1.00 0.00 H new ATOM 1698 N GLY A 120 -7.558 17.199 19.364 1.00 0.00 N ATOM 1699 CA GLY A 120 -7.832 17.932 20.632 1.00 0.00 C ATOM 1700 C GLY A 120 -8.236 16.937 21.723 1.00 0.00 C ATOM 1701 O GLY A 120 -8.022 17.168 22.896 1.00 0.00 O ATOM 0 H GLY A 120 -8.230 17.362 18.614 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -6.947 18.487 20.942 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -8.627 18.661 20.478 1.00 0.00 H new ATOM 1705 N MET A 121 -8.818 15.833 21.345 1.00 0.00 N ATOM 1706 CA MET A 121 -9.237 14.826 22.362 1.00 0.00 C ATOM 1707 C MET A 121 -7.997 14.183 22.987 1.00 0.00 C ATOM 1708 O MET A 121 -7.968 13.883 24.163 1.00 0.00 O ATOM 1709 CB MET A 121 -10.088 13.748 21.691 1.00 0.00 C ATOM 1710 CG MET A 121 -10.621 12.783 22.753 1.00 0.00 C ATOM 1711 SD MET A 121 -11.514 11.432 21.948 1.00 0.00 S ATOM 1712 CE MET A 121 -12.103 10.618 23.452 1.00 0.00 C ATOM 0 H MET A 121 -9.022 15.584 20.377 1.00 0.00 H new ATOM 0 HA MET A 121 -9.821 15.318 23.140 1.00 0.00 H new ATOM 0 HB2 MET A 121 -10.917 14.207 21.153 1.00 0.00 H new ATOM 0 HB3 MET A 121 -9.493 13.205 20.957 1.00 0.00 H new ATOM 0 HG2 MET A 121 -9.797 12.386 23.345 1.00 0.00 H new ATOM 0 HG3 MET A 121 -11.282 13.311 23.440 1.00 0.00 H new ATOM 0 HE1 MET A 121 -12.690 9.740 23.184 1.00 0.00 H new ATOM 0 HE2 MET A 121 -11.250 10.313 24.059 1.00 0.00 H new ATOM 0 HE3 MET A 121 -12.724 11.310 24.021 1.00 0.00 H new ATOM 1722 N PHE A 122 -6.973 13.965 22.208 1.00 0.00 N ATOM 1723 CA PHE A 122 -5.739 13.338 22.760 1.00 0.00 C ATOM 1724 C PHE A 122 -5.114 14.268 23.802 1.00 0.00 C ATOM 1725 O PHE A 122 -4.563 13.825 24.789 1.00 0.00 O ATOM 1726 CB PHE A 122 -4.742 13.095 21.626 1.00 0.00 C ATOM 1727 CG PHE A 122 -5.257 11.991 20.734 1.00 0.00 C ATOM 1728 CD1 PHE A 122 -5.108 10.653 21.119 1.00 0.00 C ATOM 1729 CD2 PHE A 122 -5.883 12.304 19.522 1.00 0.00 C ATOM 1730 CE1 PHE A 122 -5.587 9.629 20.293 1.00 0.00 C ATOM 1731 CE2 PHE A 122 -6.363 11.280 18.696 1.00 0.00 C ATOM 1732 CZ PHE A 122 -6.215 9.942 19.081 1.00 0.00 C ATOM 0 H PHE A 122 -6.938 14.194 21.215 1.00 0.00 H new ATOM 0 HA PHE A 122 -5.993 12.388 23.231 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.602 14.009 21.048 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.769 12.823 22.035 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -4.623 10.411 22.053 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -5.996 13.336 19.224 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -5.472 8.597 20.591 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -6.847 11.522 17.762 1.00 0.00 H new ATOM 0 HZ PHE A 122 -6.585 9.152 18.444 1.00 0.00 H new ATOM 1742 N ALA A 123 -5.195 15.553 23.590 1.00 0.00 N ATOM 1743 CA ALA A 123 -4.604 16.507 24.571 1.00 0.00 C ATOM 1744 C ALA A 123 -5.329 16.373 25.912 1.00 0.00 C ATOM 1745 O ALA A 123 -4.747 16.550 26.964 1.00 0.00 O ATOM 1746 CB ALA A 123 -4.758 17.937 24.048 1.00 0.00 C ATOM 0 H ALA A 123 -5.644 15.983 22.781 1.00 0.00 H new ATOM 0 HA ALA A 123 -3.546 16.282 24.706 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -4.326 18.635 24.765 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -4.242 18.033 23.093 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -5.816 18.163 23.913 1.00 0.00 H new