USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 848 hydrogens (43 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 Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 149:sc= -0.67 (180deg=-3.17!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -1.28! C(o=-1.3!,f=-4.3!) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.433 F(o=-1.5,f=-0.43) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -42:sc= 0.886 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.61 K(o=-0.61,f=-4.7!) USER MOD Single : A 107 HIS : no HD1:sc= -0.291 K(o=-0.29,f=-1) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= 0.0341 K(o=0.034,f=-5.3!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 ASN :FLIP amide:sc= -1.57! C(o=-3!,f=-1.6!) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HD1:sc= -7.89! C(o=-7.9!,f=-9.3!) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 122:sc= 1.92 USER MOD Single : A 143 ASN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 144 GLN : amide:sc= -0.398 X(o=-0.4,f=0) USER MOD Single : A 145 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 153 GLN : amide:sc= -0.099 X(o=-0.099,f=-0.015) USER MOD Single : A 156 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 159 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 60 1.089 -1.490 -0.196 1.00 3.24 N ATOM 2 CA TRP A 60 1.804 -1.292 -1.451 1.00 62.25 C ATOM 3 C TRP A 60 2.257 -2.626 -2.036 1.00 13.30 C ATOM 4 O TRP A 60 2.792 -2.679 -3.143 1.00 62.43 O ATOM 5 CB TRP A 60 3.012 -0.379 -1.236 1.00 25.40 C ATOM 6 CG TRP A 60 3.663 -0.561 0.102 1.00 13.42 C ATOM 7 CD1 TRP A 60 3.637 0.314 1.151 1.00 62.11 C ATOM 8 CD2 TRP A 60 4.436 -1.685 0.534 1.00 61.41 C ATOM 9 NE1 TRP A 60 4.348 -0.200 2.209 1.00 43.44 N ATOM 10 CE2 TRP A 60 4.848 -1.425 1.856 1.00 74.42 C ATOM 11 CE3 TRP A 60 4.819 -2.888 -0.066 1.00 42.35 C ATOM 12 CZ2 TRP A 60 5.623 -2.324 2.584 1.00 44.52 C ATOM 13 CZ3 TRP A 60 5.589 -3.778 0.657 1.00 5.13 C ATOM 14 CH2 TRP A 60 5.984 -3.493 1.971 1.00 3.32 C ATOM 0 HA TRP A 60 1.122 -0.819 -2.158 1.00 62.25 H new ATOM 0 HB2 TRP A 60 3.746 -0.570 -2.018 1.00 25.40 H new ATOM 0 HB3 TRP A 60 2.697 0.659 -1.341 1.00 25.40 H new ATOM 0 HD1 TRP A 60 3.132 1.269 1.149 1.00 62.11 H new ATOM 0 HE1 TRP A 60 4.482 0.257 3.111 1.00 43.44 H new ATOM 0 HE3 TRP A 60 4.518 -3.118 -1.077 1.00 42.35 H new ATOM 0 HZ2 TRP A 60 5.928 -2.106 3.597 1.00 44.52 H new ATOM 0 HZ3 TRP A 60 5.892 -4.709 0.202 1.00 5.13 H new ATOM 0 HH2 TRP A 60 6.585 -4.210 2.510 1.00 3.32 H new ATOM 25 N PHE A 61 2.038 -3.700 -1.286 1.00 23.45 N ATOM 26 CA PHE A 61 2.425 -5.034 -1.730 1.00 32.52 C ATOM 27 C PHE A 61 1.292 -5.698 -2.508 1.00 44.34 C ATOM 28 O PHE A 61 0.117 -5.515 -2.193 1.00 15.05 O ATOM 29 CB PHE A 61 2.811 -5.903 -0.531 1.00 0.45 C ATOM 30 CG PHE A 61 2.542 -7.366 -0.738 1.00 44.32 C ATOM 31 CD1 PHE A 61 3.159 -8.058 -1.768 1.00 5.41 C ATOM 32 CD2 PHE A 61 1.672 -8.049 0.096 1.00 42.01 C ATOM 33 CE1 PHE A 61 2.915 -9.404 -1.962 1.00 33.14 C ATOM 34 CE2 PHE A 61 1.424 -9.395 -0.093 1.00 31.43 C ATOM 35 CZ PHE A 61 2.045 -10.074 -1.123 1.00 51.54 C ATOM 0 H PHE A 61 1.595 -3.673 -0.368 1.00 23.45 H new ATOM 0 HA PHE A 61 3.287 -4.934 -2.390 1.00 32.52 H new ATOM 0 HB2 PHE A 61 3.871 -5.764 -0.318 1.00 0.45 H new ATOM 0 HB3 PHE A 61 2.262 -5.562 0.346 1.00 0.45 H new ATOM 0 HD1 PHE A 61 3.839 -7.539 -2.427 1.00 5.41 H new ATOM 0 HD2 PHE A 61 1.182 -7.524 0.903 1.00 42.01 H new ATOM 0 HE1 PHE A 61 3.403 -9.932 -2.768 1.00 33.14 H new ATOM 0 HE2 PHE A 61 0.744 -9.916 0.565 1.00 31.43 H new ATOM 0 HZ PHE A 61 1.851 -11.126 -1.272 1.00 51.54 H new ATOM 45 N PHE A 62 1.656 -6.468 -3.528 1.00 72.33 N ATOM 46 CA PHE A 62 0.671 -7.158 -4.354 1.00 24.11 C ATOM 47 C PHE A 62 1.066 -8.617 -4.566 1.00 14.13 C ATOM 48 O PHE A 62 2.222 -8.924 -4.851 1.00 4.25 O ATOM 49 CB PHE A 62 0.526 -6.456 -5.706 1.00 3.14 C ATOM 50 CG PHE A 62 -0.639 -5.510 -5.768 1.00 31.41 C ATOM 51 CD1 PHE A 62 -0.523 -4.214 -5.292 1.00 20.54 C ATOM 52 CD2 PHE A 62 -1.851 -5.918 -6.302 1.00 41.33 C ATOM 53 CE1 PHE A 62 -1.593 -3.342 -5.348 1.00 13.33 C ATOM 54 CE2 PHE A 62 -2.924 -5.049 -6.361 1.00 74.34 C ATOM 55 CZ PHE A 62 -2.796 -3.760 -5.882 1.00 61.24 C ATOM 0 H PHE A 62 2.625 -6.630 -3.803 1.00 72.33 H new ATOM 0 HA PHE A 62 -0.286 -7.130 -3.834 1.00 24.11 H new ATOM 0 HB2 PHE A 62 1.442 -5.906 -5.921 1.00 3.14 H new ATOM 0 HB3 PHE A 62 0.415 -7.208 -6.487 1.00 3.14 H new ATOM 0 HD1 PHE A 62 0.415 -3.882 -4.872 1.00 20.54 H new ATOM 0 HD2 PHE A 62 -1.958 -6.926 -6.676 1.00 41.33 H new ATOM 0 HE1 PHE A 62 -1.489 -2.334 -4.974 1.00 13.33 H new ATOM 0 HE2 PHE A 62 -3.863 -5.378 -6.782 1.00 74.34 H new ATOM 0 HZ PHE A 62 -3.635 -3.081 -5.925 1.00 61.24 H new ATOM 65 N GLY A 63 0.094 -9.513 -4.423 1.00 74.14 N ATOM 66 CA GLY A 63 0.358 -10.929 -4.602 1.00 2.14 C ATOM 67 C GLY A 63 1.139 -11.218 -5.869 1.00 13.15 C ATOM 68 O GLY A 63 2.363 -11.091 -5.895 1.00 40.24 O ATOM 0 H GLY A 63 -0.871 -9.284 -4.186 1.00 74.14 H new ATOM 0 HA2 GLY A 63 0.914 -11.303 -3.743 1.00 2.14 H new ATOM 0 HA3 GLY A 63 -0.587 -11.471 -4.630 1.00 2.14 H new ATOM 72 N LYS A 64 0.430 -11.610 -6.922 1.00 12.42 N ATOM 73 CA LYS A 64 1.063 -11.919 -8.199 1.00 13.54 C ATOM 74 C LYS A 64 0.470 -11.070 -9.319 1.00 2.31 C ATOM 75 O LYS A 64 -0.669 -11.283 -9.735 1.00 42.34 O ATOM 76 CB LYS A 64 0.897 -13.404 -8.527 1.00 53.14 C ATOM 77 CG LYS A 64 1.386 -14.329 -7.427 1.00 3.13 C ATOM 78 CD LYS A 64 0.300 -15.295 -6.986 1.00 34.12 C ATOM 79 CE LYS A 64 -0.545 -14.710 -5.865 1.00 13.33 C ATOM 80 NZ LYS A 64 -1.945 -15.216 -5.903 1.00 13.10 N ATOM 0 H LYS A 64 -0.584 -11.721 -6.916 1.00 12.42 H new ATOM 0 HA LYS A 64 2.125 -11.688 -8.116 1.00 13.54 H new ATOM 0 HB2 LYS A 64 -0.156 -13.609 -8.721 1.00 53.14 H new ATOM 0 HB3 LYS A 64 1.440 -13.627 -9.446 1.00 53.14 H new ATOM 0 HG2 LYS A 64 2.251 -14.890 -7.780 1.00 3.13 H new ATOM 0 HG3 LYS A 64 1.716 -13.737 -6.573 1.00 3.13 H new ATOM 0 HD2 LYS A 64 -0.339 -15.538 -7.835 1.00 34.12 H new ATOM 0 HD3 LYS A 64 0.755 -16.227 -6.652 1.00 34.12 H new ATOM 0 HE2 LYS A 64 -0.095 -14.958 -4.904 1.00 13.33 H new ATOM 0 HE3 LYS A 64 -0.550 -13.623 -5.943 1.00 13.33 H new ATOM 0 HZ1 LYS A 64 -2.488 -14.794 -5.123 1.00 13.10 H new ATOM 0 HZ2 LYS A 64 -2.383 -14.957 -6.810 1.00 13.10 H new ATOM 0 HZ3 LYS A 64 -1.943 -16.251 -5.803 1.00 13.10 H new ATOM 94 N ILE A 65 1.250 -10.109 -9.803 1.00 63.20 N ATOM 95 CA ILE A 65 0.803 -9.231 -10.877 1.00 12.12 C ATOM 96 C ILE A 65 1.926 -8.965 -11.874 1.00 32.23 C ATOM 97 O ILE A 65 3.087 -8.787 -11.506 1.00 0.24 O ATOM 98 CB ILE A 65 0.290 -7.886 -10.328 1.00 23.43 C ATOM 99 CG1 ILE A 65 1.377 -7.203 -9.496 1.00 3.41 C ATOM 100 CG2 ILE A 65 -0.966 -8.098 -9.496 1.00 70.21 C ATOM 101 CD1 ILE A 65 1.952 -5.966 -10.151 1.00 74.22 C ATOM 0 H ILE A 65 2.195 -9.919 -9.468 1.00 63.20 H new ATOM 0 HA ILE A 65 -0.015 -9.744 -11.383 1.00 12.12 H new ATOM 0 HB ILE A 65 0.041 -7.238 -11.168 1.00 23.43 H new ATOM 0 HG12 ILE A 65 0.963 -6.931 -8.525 1.00 3.41 H new ATOM 0 HG13 ILE A 65 2.182 -7.914 -9.311 1.00 3.41 H new ATOM 0 HG21 ILE A 65 -1.316 -7.139 -9.115 1.00 70.21 H new ATOM 0 HG22 ILE A 65 -1.742 -8.547 -10.116 1.00 70.21 H new ATOM 0 HG23 ILE A 65 -0.741 -8.760 -8.660 1.00 70.21 H new ATOM 0 HD11 ILE A 65 2.716 -5.534 -9.505 1.00 74.22 H new ATOM 0 HD12 ILE A 65 2.396 -6.235 -11.109 1.00 74.22 H new ATOM 0 HD13 ILE A 65 1.158 -5.237 -10.311 1.00 74.22 H new ATOM 113 N PRO A 66 1.574 -8.936 -13.168 1.00 14.04 N ATOM 114 CA PRO A 66 2.537 -8.690 -14.245 1.00 10.02 C ATOM 115 C PRO A 66 3.046 -7.253 -14.250 1.00 5.22 C ATOM 116 O PRO A 66 2.306 -6.321 -13.936 1.00 51.33 O ATOM 117 CB PRO A 66 1.730 -8.976 -15.514 1.00 45.10 C ATOM 118 CG PRO A 66 0.313 -8.738 -15.124 1.00 13.44 C ATOM 119 CD PRO A 66 0.208 -9.140 -13.679 1.00 32.34 C ATOM 0 HA PRO A 66 3.430 -9.307 -14.143 1.00 10.02 H new ATOM 0 HB2 PRO A 66 2.031 -8.320 -16.331 1.00 45.10 H new ATOM 0 HB3 PRO A 66 1.880 -10.000 -15.856 1.00 45.10 H new ATOM 0 HG2 PRO A 66 0.042 -7.691 -15.258 1.00 13.44 H new ATOM 0 HG3 PRO A 66 -0.366 -9.325 -15.743 1.00 13.44 H new ATOM 0 HD2 PRO A 66 -0.517 -8.527 -13.143 1.00 32.34 H new ATOM 0 HD3 PRO A 66 -0.110 -10.177 -13.572 1.00 32.34 H new ATOM 127 N ARG A 67 4.315 -7.081 -14.608 1.00 13.31 N ATOM 128 CA ARG A 67 4.923 -5.756 -14.653 1.00 30.51 C ATOM 129 C ARG A 67 3.936 -4.723 -15.188 1.00 44.04 C ATOM 130 O ARG A 67 3.912 -3.580 -14.734 1.00 44.51 O ATOM 131 CB ARG A 67 6.179 -5.778 -15.526 1.00 22.34 C ATOM 132 CG ARG A 67 5.905 -6.132 -16.978 1.00 65.03 C ATOM 133 CD ARG A 67 7.118 -5.862 -17.855 1.00 61.33 C ATOM 134 NE ARG A 67 8.360 -6.292 -17.219 1.00 4.22 N ATOM 135 CZ ARG A 67 9.560 -5.839 -17.567 1.00 55.04 C ATOM 136 NH1 ARG A 67 9.678 -4.947 -18.542 1.00 34.35 N ATOM 137 NH2 ARG A 67 10.644 -6.278 -16.941 1.00 13.22 N ATOM 0 H ARG A 67 4.941 -7.842 -14.871 1.00 13.31 H new ATOM 0 HA ARG A 67 5.200 -5.476 -13.637 1.00 30.51 H new ATOM 0 HB2 ARG A 67 6.658 -4.800 -15.483 1.00 22.34 H new ATOM 0 HB3 ARG A 67 6.886 -6.497 -15.113 1.00 22.34 H new ATOM 0 HG2 ARG A 67 5.628 -7.184 -17.051 1.00 65.03 H new ATOM 0 HG3 ARG A 67 5.056 -5.553 -17.341 1.00 65.03 H new ATOM 0 HD2 ARG A 67 7.000 -6.380 -18.807 1.00 61.33 H new ATOM 0 HD3 ARG A 67 7.175 -4.796 -18.077 1.00 61.33 H new ATOM 0 HE ARG A 67 8.304 -6.978 -16.466 1.00 4.22 H new ATOM 0 HH11 ARG A 67 8.847 -4.608 -19.026 1.00 34.35 H new ATOM 0 HH12 ARG A 67 10.600 -4.601 -18.807 1.00 34.35 H new ATOM 0 HH21 ARG A 67 10.557 -6.964 -16.191 1.00 13.22 H new ATOM 0 HH22 ARG A 67 11.564 -5.929 -17.209 1.00 13.22 H new ATOM 151 N ALA A 68 3.124 -5.134 -16.157 1.00 45.10 N ATOM 152 CA ALA A 68 2.135 -4.245 -16.753 1.00 43.33 C ATOM 153 C ALA A 68 1.141 -3.750 -15.708 1.00 42.12 C ATOM 154 O ALA A 68 0.991 -2.546 -15.500 1.00 10.31 O ATOM 155 CB ALA A 68 1.405 -4.951 -17.886 1.00 64.11 C ATOM 0 H ALA A 68 3.132 -6.077 -16.546 1.00 45.10 H new ATOM 0 HA ALA A 68 2.659 -3.379 -17.157 1.00 43.33 H new ATOM 0 HB1 ALA A 68 0.669 -4.275 -18.322 1.00 64.11 H new ATOM 0 HB2 ALA A 68 2.122 -5.249 -18.651 1.00 64.11 H new ATOM 0 HB3 ALA A 68 0.900 -5.836 -17.498 1.00 64.11 H new ATOM 161 N LYS A 69 0.463 -4.686 -15.053 1.00 62.34 N ATOM 162 CA LYS A 69 -0.517 -4.346 -14.029 1.00 30.42 C ATOM 163 C LYS A 69 0.047 -3.315 -13.057 1.00 21.01 C ATOM 164 O LYS A 69 -0.641 -2.370 -12.672 1.00 23.01 O ATOM 165 CB LYS A 69 -0.944 -5.602 -13.265 1.00 63.34 C ATOM 166 CG LYS A 69 -2.416 -5.616 -12.892 1.00 61.42 C ATOM 167 CD LYS A 69 -3.217 -6.519 -13.816 1.00 2.30 C ATOM 168 CE LYS A 69 -4.404 -7.140 -13.096 1.00 61.44 C ATOM 169 NZ LYS A 69 -5.613 -7.194 -13.964 1.00 42.34 N ATOM 0 H LYS A 69 0.575 -5.687 -15.213 1.00 62.34 H new ATOM 0 HA LYS A 69 -1.387 -3.915 -14.524 1.00 30.42 H new ATOM 0 HB2 LYS A 69 -0.724 -6.479 -13.873 1.00 63.34 H new ATOM 0 HB3 LYS A 69 -0.347 -5.685 -12.357 1.00 63.34 H new ATOM 0 HG2 LYS A 69 -2.528 -5.956 -11.862 1.00 61.42 H new ATOM 0 HG3 LYS A 69 -2.814 -4.602 -12.938 1.00 61.42 H new ATOM 0 HD2 LYS A 69 -3.570 -5.944 -14.672 1.00 2.30 H new ATOM 0 HD3 LYS A 69 -2.573 -7.307 -14.205 1.00 2.30 H new ATOM 0 HE2 LYS A 69 -4.145 -8.148 -12.771 1.00 61.44 H new ATOM 0 HE3 LYS A 69 -4.627 -6.563 -12.198 1.00 61.44 H new ATOM 0 HZ1 LYS A 69 -6.400 -7.624 -13.437 1.00 42.34 H new ATOM 0 HZ2 LYS A 69 -5.876 -6.230 -14.254 1.00 42.34 H new ATOM 0 HZ3 LYS A 69 -5.409 -7.766 -14.808 1.00 42.34 H new ATOM 183 N ALA A 70 1.303 -3.503 -12.665 1.00 42.43 N ATOM 184 CA ALA A 70 1.960 -2.586 -11.741 1.00 62.55 C ATOM 185 C ALA A 70 2.019 -1.175 -12.317 1.00 24.43 C ATOM 186 O ALA A 70 1.629 -0.211 -11.660 1.00 21.25 O ATOM 187 CB ALA A 70 3.360 -3.083 -11.412 1.00 20.23 C ATOM 0 H ALA A 70 1.886 -4.282 -12.973 1.00 42.43 H new ATOM 0 HA ALA A 70 1.373 -2.551 -10.823 1.00 62.55 H new ATOM 0 HB1 ALA A 70 3.839 -2.389 -10.721 1.00 20.23 H new ATOM 0 HB2 ALA A 70 3.297 -4.069 -10.951 1.00 20.23 H new ATOM 0 HB3 ALA A 70 3.948 -3.148 -12.328 1.00 20.23 H new ATOM 193 N GLU A 71 2.511 -1.063 -13.547 1.00 13.11 N ATOM 194 CA GLU A 71 2.622 0.232 -14.209 1.00 31.32 C ATOM 195 C GLU A 71 1.297 0.987 -14.153 1.00 22.03 C ATOM 196 O GLU A 71 1.274 2.213 -14.048 1.00 24.21 O ATOM 197 CB GLU A 71 3.056 0.049 -15.665 1.00 4.45 C ATOM 198 CG GLU A 71 4.343 -0.744 -15.821 1.00 74.30 C ATOM 199 CD GLU A 71 4.365 -1.575 -17.089 1.00 74.41 C ATOM 200 OE1 GLU A 71 3.876 -1.084 -18.128 1.00 42.03 O ATOM 201 OE2 GLU A 71 4.870 -2.716 -17.043 1.00 35.53 O ATOM 0 H GLU A 71 2.839 -1.852 -14.104 1.00 13.11 H new ATOM 0 HA GLU A 71 3.376 0.817 -13.683 1.00 31.32 H new ATOM 0 HB2 GLU A 71 2.260 -0.456 -16.212 1.00 4.45 H new ATOM 0 HB3 GLU A 71 3.186 1.030 -16.123 1.00 4.45 H new ATOM 0 HG2 GLU A 71 5.190 -0.058 -15.826 1.00 74.30 H new ATOM 0 HG3 GLU A 71 4.468 -1.399 -14.959 1.00 74.30 H new ATOM 208 N GLU A 72 0.196 0.245 -14.224 1.00 2.21 N ATOM 209 CA GLU A 72 -1.132 0.845 -14.183 1.00 12.13 C ATOM 210 C GLU A 72 -1.455 1.357 -12.782 1.00 4.51 C ATOM 211 O GLU A 72 -1.919 2.484 -12.614 1.00 13.53 O ATOM 212 CB GLU A 72 -2.189 -0.171 -14.622 1.00 3.22 C ATOM 213 CG GLU A 72 -2.247 -0.377 -16.126 1.00 62.01 C ATOM 214 CD GLU A 72 -2.972 0.746 -16.841 1.00 40.33 C ATOM 215 OE1 GLU A 72 -4.172 0.951 -16.563 1.00 21.40 O ATOM 216 OE2 GLU A 72 -2.338 1.421 -17.680 1.00 15.43 O ATOM 0 H GLU A 72 0.198 -0.771 -14.310 1.00 2.21 H new ATOM 0 HA GLU A 72 -1.142 1.690 -14.872 1.00 12.13 H new ATOM 0 HB2 GLU A 72 -1.984 -1.127 -14.140 1.00 3.22 H new ATOM 0 HB3 GLU A 72 -3.167 0.160 -14.271 1.00 3.22 H new ATOM 0 HG2 GLU A 72 -1.233 -0.457 -16.517 1.00 62.01 H new ATOM 0 HG3 GLU A 72 -2.747 -1.322 -16.341 1.00 62.01 H new ATOM 223 N MET A 73 -1.205 0.521 -11.780 1.00 61.42 N ATOM 224 CA MET A 73 -1.468 0.889 -10.394 1.00 22.42 C ATOM 225 C MET A 73 -0.792 2.211 -10.045 1.00 22.33 C ATOM 226 O MET A 73 -1.298 2.982 -9.229 1.00 12.22 O ATOM 227 CB MET A 73 -0.980 -0.212 -9.450 1.00 65.11 C ATOM 228 CG MET A 73 -1.674 -1.548 -9.663 1.00 44.54 C ATOM 229 SD MET A 73 -3.469 -1.395 -9.725 1.00 32.12 S ATOM 230 CE MET A 73 -3.737 -1.254 -11.490 1.00 42.12 C ATOM 0 H MET A 73 -0.821 -0.416 -11.902 1.00 61.42 H new ATOM 0 HA MET A 73 -2.545 1.009 -10.274 1.00 22.42 H new ATOM 0 HB2 MET A 73 0.094 -0.344 -9.584 1.00 65.11 H new ATOM 0 HB3 MET A 73 -1.136 0.109 -8.420 1.00 65.11 H new ATOM 0 HG2 MET A 73 -1.319 -1.994 -10.592 1.00 44.54 H new ATOM 0 HG3 MET A 73 -1.399 -2.229 -8.857 1.00 44.54 H new ATOM 0 HE1 MET A 73 -4.703 -1.689 -11.747 1.00 42.12 H new ATOM 0 HE2 MET A 73 -3.724 -0.203 -11.777 1.00 42.12 H new ATOM 0 HE3 MET A 73 -2.947 -1.785 -12.021 1.00 42.12 H new ATOM 240 N LEU A 74 0.354 2.466 -10.666 1.00 51.35 N ATOM 241 CA LEU A 74 1.100 3.696 -10.421 1.00 72.22 C ATOM 242 C LEU A 74 0.631 4.812 -11.350 1.00 20.44 C ATOM 243 O LEU A 74 0.415 5.944 -10.917 1.00 24.55 O ATOM 244 CB LEU A 74 2.598 3.453 -10.612 1.00 40.53 C ATOM 245 CG LEU A 74 3.143 2.140 -10.050 1.00 74.11 C ATOM 246 CD1 LEU A 74 4.522 1.847 -10.619 1.00 71.34 C ATOM 247 CD2 LEU A 74 3.191 2.190 -8.530 1.00 35.31 C ATOM 0 H LEU A 74 0.787 1.838 -11.343 1.00 51.35 H new ATOM 0 HA LEU A 74 0.916 4.005 -9.392 1.00 72.22 H new ATOM 0 HB2 LEU A 74 2.818 3.487 -11.679 1.00 40.53 H new ATOM 0 HB3 LEU A 74 3.141 4.276 -10.148 1.00 40.53 H new ATOM 0 HG LEU A 74 2.472 1.334 -10.346 1.00 74.11 H new ATOM 0 HD11 LEU A 74 4.894 0.909 -10.207 1.00 71.34 H new ATOM 0 HD12 LEU A 74 4.458 1.767 -11.704 1.00 71.34 H new ATOM 0 HD13 LEU A 74 5.204 2.655 -10.354 1.00 71.34 H new ATOM 0 HD21 LEU A 74 3.581 1.247 -8.147 1.00 35.31 H new ATOM 0 HD22 LEU A 74 3.840 3.007 -8.213 1.00 35.31 H new ATOM 0 HD23 LEU A 74 2.186 2.352 -8.139 1.00 35.31 H new ATOM 259 N SER A 75 0.473 4.484 -12.628 1.00 23.40 N ATOM 260 CA SER A 75 0.031 5.458 -13.618 1.00 43.43 C ATOM 261 C SER A 75 -1.299 6.083 -13.210 1.00 34.33 C ATOM 262 O SER A 75 -1.432 7.305 -13.147 1.00 12.15 O ATOM 263 CB SER A 75 -0.103 4.797 -14.991 1.00 42.13 C ATOM 264 OG SER A 75 0.964 5.173 -15.845 1.00 52.20 O ATOM 0 H SER A 75 0.645 3.551 -13.002 1.00 23.40 H new ATOM 0 HA SER A 75 0.781 6.247 -13.674 1.00 43.43 H new ATOM 0 HB2 SER A 75 -0.116 3.713 -14.876 1.00 42.13 H new ATOM 0 HB3 SER A 75 -1.053 5.081 -15.444 1.00 42.13 H new ATOM 0 HG SER A 75 0.856 4.736 -16.715 1.00 52.20 H new ATOM 270 N LYS A 76 -2.284 5.234 -12.933 1.00 4.00 N ATOM 271 CA LYS A 76 -3.605 5.699 -12.529 1.00 0.51 C ATOM 272 C LYS A 76 -3.500 6.726 -11.406 1.00 13.32 C ATOM 273 O LYS A 76 -4.418 7.517 -11.189 1.00 31.11 O ATOM 274 CB LYS A 76 -4.468 4.519 -12.076 1.00 43.25 C ATOM 275 CG LYS A 76 -4.015 3.903 -10.764 1.00 62.54 C ATOM 276 CD LYS A 76 -5.186 3.333 -9.982 1.00 74.33 C ATOM 277 CE LYS A 76 -5.431 1.872 -10.330 1.00 2.24 C ATOM 278 NZ LYS A 76 -6.455 1.255 -9.442 1.00 52.03 N ATOM 0 H LYS A 76 -2.191 4.219 -12.981 1.00 4.00 H new ATOM 0 HA LYS A 76 -4.074 6.174 -13.390 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -5.501 4.853 -11.974 1.00 43.25 H new ATOM 0 HB3 LYS A 76 -4.456 3.752 -12.851 1.00 43.25 H new ATOM 0 HG2 LYS A 76 -3.290 3.113 -10.963 1.00 62.54 H new ATOM 0 HG3 LYS A 76 -3.508 4.657 -10.163 1.00 62.54 H new ATOM 0 HD2 LYS A 76 -4.991 3.426 -8.914 1.00 74.33 H new ATOM 0 HD3 LYS A 76 -6.084 3.914 -10.194 1.00 74.33 H new ATOM 0 HE2 LYS A 76 -5.756 1.795 -11.368 1.00 2.24 H new ATOM 0 HE3 LYS A 76 -4.496 1.317 -10.247 1.00 2.24 H new ATOM 0 HZ1 LYS A 76 -6.594 0.260 -9.711 1.00 52.03 H new ATOM 0 HZ2 LYS A 76 -6.134 1.305 -8.454 1.00 52.03 H new ATOM 0 HZ3 LYS A 76 -7.354 1.768 -9.540 1.00 52.03 H new ATOM 292 N GLN A 77 -2.376 6.709 -10.697 1.00 32.41 N ATOM 293 CA GLN A 77 -2.153 7.639 -9.597 1.00 4.40 C ATOM 294 C GLN A 77 -1.983 9.064 -10.115 1.00 71.31 C ATOM 295 O GLN A 77 -2.089 9.315 -11.316 1.00 30.43 O ATOM 296 CB GLN A 77 -0.918 7.226 -8.794 1.00 31.20 C ATOM 297 CG GLN A 77 -0.891 5.748 -8.437 1.00 52.34 C ATOM 298 CD GLN A 77 -1.828 5.406 -7.295 1.00 44.43 C ATOM 299 OE1 GLN A 77 -2.446 6.289 -6.699 1.00 22.42 O ATOM 300 NE2 GLN A 77 -1.938 4.120 -6.984 1.00 43.15 N ATOM 0 H GLN A 77 -1.606 6.062 -10.865 1.00 32.41 H new ATOM 0 HA GLN A 77 -3.027 7.609 -8.947 1.00 4.40 H new ATOM 0 HB2 GLN A 77 -0.024 7.469 -9.368 1.00 31.20 H new ATOM 0 HB3 GLN A 77 -0.878 7.814 -7.877 1.00 31.20 H new ATOM 0 HG2 GLN A 77 -1.164 5.161 -9.314 1.00 52.34 H new ATOM 0 HG3 GLN A 77 0.125 5.462 -8.166 1.00 52.34 H new ATOM 0 HE21 GLN A 77 -1.407 3.422 -7.505 1.00 43.15 H new ATOM 0 HE22 GLN A 77 -2.554 3.830 -6.224 1.00 43.15 H new ATOM 309 N ARG A 78 -1.720 9.993 -9.202 1.00 63.20 N ATOM 310 CA ARG A 78 -1.537 11.392 -9.567 1.00 12.52 C ATOM 311 C ARG A 78 -0.210 11.924 -9.035 1.00 3.43 C ATOM 312 O ARG A 78 0.448 12.740 -9.681 1.00 42.41 O ATOM 313 CB ARG A 78 -2.691 12.238 -9.025 1.00 35.41 C ATOM 314 CG ARG A 78 -4.056 11.594 -9.208 1.00 30.53 C ATOM 315 CD ARG A 78 -4.412 11.451 -10.679 1.00 71.12 C ATOM 316 NE ARG A 78 -5.700 12.064 -10.993 1.00 2.53 N ATOM 317 CZ ARG A 78 -6.200 12.136 -12.221 1.00 40.32 C ATOM 318 NH1 ARG A 78 -5.524 11.635 -13.246 1.00 34.21 N ATOM 319 NH2 ARG A 78 -7.379 12.710 -12.426 1.00 44.24 N ATOM 0 H ARG A 78 -1.629 9.802 -8.204 1.00 63.20 H new ATOM 0 HA ARG A 78 -1.526 11.459 -10.655 1.00 12.52 H new ATOM 0 HB2 ARG A 78 -2.526 12.425 -7.964 1.00 35.41 H new ATOM 0 HB3 ARG A 78 -2.686 13.207 -9.524 1.00 35.41 H new ATOM 0 HG2 ARG A 78 -4.063 10.613 -8.734 1.00 30.53 H new ATOM 0 HG3 ARG A 78 -4.814 12.196 -8.706 1.00 30.53 H new ATOM 0 HD2 ARG A 78 -3.633 11.912 -11.287 1.00 71.12 H new ATOM 0 HD3 ARG A 78 -4.439 10.394 -10.944 1.00 71.12 H new ATOM 0 HE ARG A 78 -6.245 12.459 -10.227 1.00 2.53 H new ATOM 0 HH11 ARG A 78 -4.618 11.193 -13.092 1.00 34.21 H new ATOM 0 HH12 ARG A 78 -5.910 11.692 -14.188 1.00 34.21 H new ATOM 0 HH21 ARG A 78 -7.902 13.096 -11.640 1.00 44.24 H new ATOM 0 HH22 ARG A 78 -7.762 12.765 -13.370 1.00 44.24 H new ATOM 333 N HIS A 79 0.178 11.457 -7.852 1.00 71.02 N ATOM 334 CA HIS A 79 1.427 11.885 -7.233 1.00 1.52 C ATOM 335 C HIS A 79 2.626 11.445 -8.067 1.00 22.52 C ATOM 336 O HIS A 79 2.468 10.838 -9.126 1.00 42.05 O ATOM 337 CB HIS A 79 1.540 11.319 -5.817 1.00 74.12 C ATOM 338 CG HIS A 79 0.215 11.046 -5.174 1.00 53.30 C ATOM 339 ND1 HIS A 79 -0.959 11.717 -5.246 1.00 21.24 N flip ATOM 340 CD2 HIS A 79 -0.010 9.972 -4.340 1.00 2.04 C flip ATOM 341 CE1 HIS A 79 -1.862 11.042 -4.462 1.00 43.31 C flip ATOM 342 NE2 HIS A 79 -1.265 9.992 -3.927 1.00 71.21 N flip ATOM 0 H HIS A 79 -0.355 10.782 -7.303 1.00 71.02 H new ATOM 0 HA HIS A 79 1.423 12.974 -7.181 1.00 1.52 H new ATOM 0 HB2 HIS A 79 2.117 10.394 -5.849 1.00 74.12 H new ATOM 0 HB3 HIS A 79 2.098 12.021 -5.197 1.00 74.12 H new ATOM 0 HD2 HIS A 79 0.725 9.230 -4.067 1.00 2.04 H new ATOM 0 HE1 HIS A 79 -2.893 11.324 -4.308 1.00 43.31 H new ATOM 0 HE2 HIS A 79 -1.699 9.313 -3.302 1.00 71.21 H new ATOM 350 N ASP A 80 3.824 11.754 -7.582 1.00 34.11 N ATOM 351 CA ASP A 80 5.050 11.389 -8.282 1.00 54.43 C ATOM 352 C ASP A 80 5.957 10.550 -7.389 1.00 30.35 C ATOM 353 O ASP A 80 6.453 11.026 -6.369 1.00 25.25 O ATOM 354 CB ASP A 80 5.790 12.645 -8.746 1.00 71.20 C ATOM 355 CG ASP A 80 4.876 13.630 -9.447 1.00 13.41 C ATOM 356 OD1 ASP A 80 4.232 14.443 -8.750 1.00 22.45 O ATOM 357 OD2 ASP A 80 4.804 13.590 -10.693 1.00 3.12 O ATOM 0 H ASP A 80 3.972 12.256 -6.707 1.00 34.11 H new ATOM 0 HA ASP A 80 4.778 10.794 -9.154 1.00 54.43 H new ATOM 0 HB2 ASP A 80 6.251 13.130 -7.886 1.00 71.20 H new ATOM 0 HB3 ASP A 80 6.597 12.359 -9.421 1.00 71.20 H new ATOM 362 N GLY A 81 6.168 9.296 -7.779 1.00 3.33 N ATOM 363 CA GLY A 81 7.014 8.410 -7.001 1.00 64.11 C ATOM 364 C GLY A 81 6.254 7.223 -6.444 1.00 14.32 C ATOM 365 O GLY A 81 6.704 6.578 -5.498 1.00 33.42 O ATOM 0 H GLY A 81 5.768 8.878 -8.619 1.00 3.33 H new ATOM 0 HA2 GLY A 81 7.832 8.053 -7.626 1.00 64.11 H new ATOM 0 HA3 GLY A 81 7.461 8.969 -6.179 1.00 64.11 H new ATOM 369 N ALA A 82 5.096 6.936 -7.030 1.00 41.12 N ATOM 370 CA ALA A 82 4.271 5.819 -6.587 1.00 3.14 C ATOM 371 C ALA A 82 5.035 4.502 -6.680 1.00 14.23 C ATOM 372 O ALA A 82 5.399 4.060 -7.769 1.00 73.15 O ATOM 373 CB ALA A 82 2.992 5.749 -7.407 1.00 40.12 C ATOM 0 H ALA A 82 4.708 7.462 -7.813 1.00 41.12 H new ATOM 0 HA ALA A 82 4.010 5.984 -5.542 1.00 3.14 H new ATOM 0 HB1 ALA A 82 2.386 4.910 -7.065 1.00 40.12 H new ATOM 0 HB2 ALA A 82 2.431 6.675 -7.286 1.00 40.12 H new ATOM 0 HB3 ALA A 82 3.241 5.611 -8.459 1.00 40.12 H new ATOM 379 N PHE A 83 5.274 3.880 -5.530 1.00 44.12 N ATOM 380 CA PHE A 83 5.996 2.614 -5.482 1.00 43.02 C ATOM 381 C PHE A 83 5.040 1.452 -5.233 1.00 33.41 C ATOM 382 O PHE A 83 4.009 1.610 -4.577 1.00 40.33 O ATOM 383 CB PHE A 83 7.065 2.653 -4.388 1.00 42.20 C ATOM 384 CG PHE A 83 6.501 2.799 -3.004 1.00 11.23 C ATOM 385 CD1 PHE A 83 6.143 4.045 -2.515 1.00 41.51 C ATOM 386 CD2 PHE A 83 6.328 1.690 -2.191 1.00 52.33 C ATOM 387 CE1 PHE A 83 5.624 4.183 -1.241 1.00 64.44 C ATOM 388 CE2 PHE A 83 5.809 1.821 -0.917 1.00 2.23 C ATOM 389 CZ PHE A 83 5.456 3.069 -0.442 1.00 1.03 C ATOM 0 H PHE A 83 4.978 4.232 -4.619 1.00 44.12 H new ATOM 0 HA PHE A 83 6.479 2.463 -6.447 1.00 43.02 H new ATOM 0 HB2 PHE A 83 7.656 1.739 -4.436 1.00 42.20 H new ATOM 0 HB3 PHE A 83 7.744 3.483 -4.584 1.00 42.20 H new ATOM 0 HD1 PHE A 83 6.271 4.919 -3.137 1.00 41.51 H new ATOM 0 HD2 PHE A 83 6.602 0.712 -2.558 1.00 52.33 H new ATOM 0 HE1 PHE A 83 5.350 5.160 -0.871 1.00 64.44 H new ATOM 0 HE2 PHE A 83 5.680 0.949 -0.294 1.00 2.23 H new ATOM 0 HZ PHE A 83 5.049 3.174 0.553 1.00 1.03 H new ATOM 399 N LEU A 84 5.388 0.283 -5.761 1.00 12.41 N ATOM 400 CA LEU A 84 4.561 -0.907 -5.597 1.00 33.10 C ATOM 401 C LEU A 84 5.395 -2.175 -5.752 1.00 14.15 C ATOM 402 O LEU A 84 6.052 -2.377 -6.773 1.00 53.52 O ATOM 403 CB LEU A 84 3.421 -0.905 -6.617 1.00 42.15 C ATOM 404 CG LEU A 84 2.727 -2.247 -6.851 1.00 33.11 C ATOM 405 CD1 LEU A 84 1.223 -2.056 -6.971 1.00 33.13 C ATOM 406 CD2 LEU A 84 3.281 -2.925 -8.095 1.00 71.14 C ATOM 0 H LEU A 84 6.237 0.134 -6.306 1.00 12.41 H new ATOM 0 HA LEU A 84 4.140 -0.891 -4.592 1.00 33.10 H new ATOM 0 HB2 LEU A 84 2.672 -0.183 -6.293 1.00 42.15 H new ATOM 0 HB3 LEU A 84 3.814 -0.551 -7.570 1.00 42.15 H new ATOM 0 HG LEU A 84 2.924 -2.890 -5.993 1.00 33.11 H new ATOM 0 HD11 LEU A 84 0.746 -3.022 -7.137 1.00 33.13 H new ATOM 0 HD12 LEU A 84 0.838 -1.614 -6.052 1.00 33.13 H new ATOM 0 HD13 LEU A 84 1.006 -1.395 -7.810 1.00 33.13 H new ATOM 0 HD21 LEU A 84 2.775 -3.879 -8.245 1.00 71.14 H new ATOM 0 HD22 LEU A 84 3.115 -2.286 -8.962 1.00 71.14 H new ATOM 0 HD23 LEU A 84 4.350 -3.097 -7.970 1.00 71.14 H new ATOM 418 N ILE A 85 5.361 -3.027 -4.732 1.00 43.42 N ATOM 419 CA ILE A 85 6.111 -4.276 -4.757 1.00 23.22 C ATOM 420 C ILE A 85 5.205 -5.455 -5.096 1.00 41.34 C ATOM 421 O ILE A 85 4.091 -5.562 -4.584 1.00 20.13 O ATOM 422 CB ILE A 85 6.801 -4.546 -3.406 1.00 55.21 C ATOM 423 CG1 ILE A 85 7.685 -3.360 -3.015 1.00 31.25 C ATOM 424 CG2 ILE A 85 7.621 -5.825 -3.476 1.00 72.20 C ATOM 425 CD1 ILE A 85 8.406 -3.553 -1.699 1.00 64.00 C ATOM 0 H ILE A 85 4.822 -2.875 -3.879 1.00 43.42 H new ATOM 0 HA ILE A 85 6.872 -4.171 -5.530 1.00 23.22 H new ATOM 0 HB ILE A 85 6.034 -4.671 -2.641 1.00 55.21 H new ATOM 0 HG12 ILE A 85 8.420 -3.190 -3.802 1.00 31.25 H new ATOM 0 HG13 ILE A 85 7.069 -2.462 -2.955 1.00 31.25 H new ATOM 0 HG21 ILE A 85 8.102 -6.002 -2.514 1.00 72.20 H new ATOM 0 HG22 ILE A 85 6.967 -6.664 -3.714 1.00 72.20 H new ATOM 0 HG23 ILE A 85 8.382 -5.727 -4.250 1.00 72.20 H new ATOM 0 HD11 ILE A 85 9.014 -2.674 -1.485 1.00 64.00 H new ATOM 0 HD12 ILE A 85 7.676 -3.693 -0.901 1.00 64.00 H new ATOM 0 HD13 ILE A 85 9.048 -4.432 -1.761 1.00 64.00 H new ATOM 437 N ARG A 86 5.691 -6.338 -5.963 1.00 4.53 N ATOM 438 CA ARG A 86 4.926 -7.509 -6.371 1.00 33.24 C ATOM 439 C ARG A 86 5.676 -8.794 -6.032 1.00 10.03 C ATOM 440 O ARG A 86 6.901 -8.795 -5.912 1.00 35.03 O ATOM 441 CB ARG A 86 4.634 -7.457 -7.871 1.00 71.14 C ATOM 442 CG ARG A 86 5.849 -7.110 -8.716 1.00 53.33 C ATOM 443 CD ARG A 86 5.664 -5.784 -9.438 1.00 63.25 C ATOM 444 NE ARG A 86 6.923 -5.274 -9.976 1.00 11.14 N ATOM 445 CZ ARG A 86 7.522 -5.778 -11.048 1.00 63.34 C ATOM 446 NH1 ARG A 86 6.980 -6.801 -11.695 1.00 44.14 N ATOM 447 NH2 ARG A 86 8.666 -5.259 -11.476 1.00 61.43 N ATOM 0 H ARG A 86 6.612 -6.264 -6.396 1.00 4.53 H new ATOM 0 HA ARG A 86 3.983 -7.504 -5.824 1.00 33.24 H new ATOM 0 HB2 ARG A 86 4.244 -8.423 -8.190 1.00 71.14 H new ATOM 0 HB3 ARG A 86 3.852 -6.721 -8.055 1.00 71.14 H new ATOM 0 HG2 ARG A 86 6.733 -7.060 -8.081 1.00 53.33 H new ATOM 0 HG3 ARG A 86 6.025 -7.901 -9.445 1.00 53.33 H new ATOM 0 HD2 ARG A 86 4.947 -5.910 -10.250 1.00 63.25 H new ATOM 0 HD3 ARG A 86 5.241 -5.052 -8.750 1.00 63.25 H new ATOM 0 HE ARG A 86 7.366 -4.487 -9.502 1.00 11.14 H new ATOM 0 HH11 ARG A 86 6.101 -7.202 -11.369 1.00 44.14 H new ATOM 0 HH12 ARG A 86 7.442 -7.186 -12.518 1.00 44.14 H new ATOM 0 HH21 ARG A 86 9.086 -4.472 -10.981 1.00 61.43 H new ATOM 0 HH22 ARG A 86 9.125 -5.647 -12.300 1.00 61.43 H new ATOM 461 N GLU A 87 4.932 -9.885 -5.879 1.00 11.15 N ATOM 462 CA GLU A 87 5.527 -11.175 -5.552 1.00 65.31 C ATOM 463 C GLU A 87 5.138 -12.231 -6.583 1.00 41.32 C ATOM 464 O GLU A 87 4.076 -12.149 -7.200 1.00 32.33 O ATOM 465 CB GLU A 87 5.091 -11.625 -4.156 1.00 42.11 C ATOM 466 CG GLU A 87 5.817 -12.865 -3.661 1.00 43.53 C ATOM 467 CD GLU A 87 4.983 -13.683 -2.696 1.00 35.14 C ATOM 468 OE1 GLU A 87 3.915 -14.182 -3.109 1.00 23.41 O ATOM 469 OE2 GLU A 87 5.397 -13.824 -1.526 1.00 64.21 O ATOM 0 H GLU A 87 3.917 -9.901 -5.976 1.00 11.15 H new ATOM 0 HA GLU A 87 6.611 -11.059 -5.566 1.00 65.31 H new ATOM 0 HB2 GLU A 87 5.260 -10.810 -3.452 1.00 42.11 H new ATOM 0 HB3 GLU A 87 4.019 -11.822 -4.165 1.00 42.11 H new ATOM 0 HG2 GLU A 87 6.092 -13.485 -4.514 1.00 43.53 H new ATOM 0 HG3 GLU A 87 6.744 -12.567 -3.172 1.00 43.53 H new ATOM 476 N SER A 88 6.006 -13.221 -6.765 1.00 43.40 N ATOM 477 CA SER A 88 5.756 -14.290 -7.724 1.00 63.12 C ATOM 478 C SER A 88 4.644 -15.211 -7.233 1.00 35.10 C ATOM 479 O SER A 88 4.141 -15.055 -6.121 1.00 31.43 O ATOM 480 CB SER A 88 7.033 -15.098 -7.964 1.00 44.51 C ATOM 481 OG SER A 88 7.879 -14.448 -8.897 1.00 64.44 O ATOM 0 H SER A 88 6.889 -13.305 -6.261 1.00 43.40 H new ATOM 0 HA SER A 88 5.440 -13.835 -8.663 1.00 63.12 H new ATOM 0 HB2 SER A 88 7.563 -15.235 -7.021 1.00 44.51 H new ATOM 0 HB3 SER A 88 6.775 -16.091 -8.332 1.00 44.51 H new ATOM 0 HG SER A 88 8.689 -14.983 -9.032 1.00 64.44 H new ATOM 487 N GLU A 89 4.265 -16.171 -8.072 1.00 14.45 N ATOM 488 CA GLU A 89 3.211 -17.116 -7.723 1.00 72.32 C ATOM 489 C GLU A 89 3.799 -18.474 -7.352 1.00 25.31 C ATOM 490 O GLU A 89 3.403 -19.084 -6.359 1.00 31.21 O ATOM 491 CB GLU A 89 2.231 -17.274 -8.888 1.00 21.01 C ATOM 492 CG GLU A 89 2.765 -16.745 -10.208 1.00 63.55 C ATOM 493 CD GLU A 89 1.735 -16.803 -11.319 1.00 52.34 C ATOM 494 OE1 GLU A 89 0.606 -16.311 -11.109 1.00 25.32 O ATOM 495 OE2 GLU A 89 2.058 -17.339 -12.400 1.00 73.11 O ATOM 0 H GLU A 89 4.672 -16.314 -8.996 1.00 14.45 H new ATOM 0 HA GLU A 89 2.677 -16.722 -6.858 1.00 72.32 H new ATOM 0 HB2 GLU A 89 1.983 -18.329 -9.003 1.00 21.01 H new ATOM 0 HB3 GLU A 89 1.305 -16.753 -8.646 1.00 21.01 H new ATOM 0 HG2 GLU A 89 3.094 -15.714 -10.076 1.00 63.55 H new ATOM 0 HG3 GLU A 89 3.641 -17.324 -10.499 1.00 63.55 H new ATOM 502 N SER A 90 4.748 -18.942 -8.157 1.00 52.14 N ATOM 503 CA SER A 90 5.389 -20.229 -7.917 1.00 73.50 C ATOM 504 C SER A 90 6.751 -20.043 -7.255 1.00 74.22 C ATOM 505 O SER A 90 7.386 -21.010 -6.834 1.00 53.42 O ATOM 506 CB SER A 90 5.548 -20.997 -9.231 1.00 1.21 C ATOM 507 OG SER A 90 4.492 -21.924 -9.412 1.00 14.15 O ATOM 0 H SER A 90 5.090 -18.448 -8.982 1.00 52.14 H new ATOM 0 HA SER A 90 4.753 -20.804 -7.244 1.00 73.50 H new ATOM 0 HB2 SER A 90 5.567 -20.296 -10.065 1.00 1.21 H new ATOM 0 HB3 SER A 90 6.502 -21.523 -9.235 1.00 1.21 H new ATOM 0 HG SER A 90 4.616 -22.400 -10.259 1.00 14.15 H new ATOM 513 N ALA A 91 7.193 -18.793 -7.167 1.00 73.03 N ATOM 514 CA ALA A 91 8.478 -18.478 -6.555 1.00 73.44 C ATOM 515 C ALA A 91 8.291 -17.728 -5.241 1.00 31.30 C ATOM 516 O ALA A 91 8.189 -16.502 -5.207 1.00 43.23 O ATOM 517 CB ALA A 91 9.333 -17.663 -7.514 1.00 1.13 C ATOM 0 H ALA A 91 6.680 -17.982 -7.512 1.00 73.03 H new ATOM 0 HA ALA A 91 8.989 -19.416 -6.337 1.00 73.44 H new ATOM 0 HB1 ALA A 91 10.290 -17.435 -7.044 1.00 1.13 H new ATOM 0 HB2 ALA A 91 9.504 -18.236 -8.426 1.00 1.13 H new ATOM 0 HB3 ALA A 91 8.819 -16.734 -7.760 1.00 1.13 H new ATOM 523 N PRO A 92 8.243 -18.480 -4.131 1.00 64.22 N ATOM 524 CA PRO A 92 8.068 -17.907 -2.793 1.00 42.15 C ATOM 525 C PRO A 92 9.295 -17.128 -2.331 1.00 60.13 C ATOM 526 O PRO A 92 10.426 -17.593 -2.468 1.00 74.43 O ATOM 527 CB PRO A 92 7.849 -19.135 -1.907 1.00 24.41 C ATOM 528 CG PRO A 92 8.519 -20.251 -2.633 1.00 4.51 C ATOM 529 CD PRO A 92 8.358 -19.948 -4.097 1.00 13.11 C ATOM 0 HA PRO A 92 7.248 -17.190 -2.761 1.00 42.15 H new ATOM 0 HB2 PRO A 92 8.281 -18.991 -0.917 1.00 24.41 H new ATOM 0 HB3 PRO A 92 6.787 -19.336 -1.765 1.00 24.41 H new ATOM 0 HG2 PRO A 92 9.573 -20.316 -2.362 1.00 4.51 H new ATOM 0 HG3 PRO A 92 8.065 -21.209 -2.380 1.00 4.51 H new ATOM 0 HD2 PRO A 92 9.213 -20.298 -4.676 1.00 13.11 H new ATOM 0 HD3 PRO A 92 7.473 -20.430 -4.512 1.00 13.11 H new ATOM 537 N GLY A 93 9.064 -15.939 -1.782 1.00 73.34 N ATOM 538 CA GLY A 93 10.160 -15.115 -1.308 1.00 61.30 C ATOM 539 C GLY A 93 10.589 -14.079 -2.327 1.00 42.51 C ATOM 540 O GLY A 93 11.276 -13.114 -1.990 1.00 64.20 O ATOM 0 H GLY A 93 8.137 -15.532 -1.657 1.00 73.34 H new ATOM 0 HA2 GLY A 93 9.861 -14.613 -0.388 1.00 61.30 H new ATOM 0 HA3 GLY A 93 11.010 -15.752 -1.062 1.00 61.30 H new ATOM 544 N ASP A 94 10.185 -14.277 -3.577 1.00 21.22 N ATOM 545 CA ASP A 94 10.533 -13.352 -4.649 1.00 54.21 C ATOM 546 C ASP A 94 9.794 -12.027 -4.485 1.00 34.52 C ATOM 547 O ASP A 94 8.567 -11.997 -4.385 1.00 72.40 O ATOM 548 CB ASP A 94 10.204 -13.968 -6.010 1.00 22.02 C ATOM 549 CG ASP A 94 11.409 -14.018 -6.929 1.00 20.13 C ATOM 550 OD1 ASP A 94 12.391 -14.708 -6.583 1.00 71.40 O ATOM 551 OD2 ASP A 94 11.370 -13.368 -7.994 1.00 13.12 O ATOM 0 H ASP A 94 9.616 -15.070 -3.873 1.00 21.22 H new ATOM 0 HA ASP A 94 11.604 -13.159 -4.595 1.00 54.21 H new ATOM 0 HB2 ASP A 94 9.819 -14.977 -5.865 1.00 22.02 H new ATOM 0 HB3 ASP A 94 9.412 -13.390 -6.485 1.00 22.02 H new ATOM 556 N PHE A 95 10.548 -10.934 -4.456 1.00 64.13 N ATOM 557 CA PHE A 95 9.965 -9.606 -4.302 1.00 23.41 C ATOM 558 C PHE A 95 10.654 -8.600 -5.219 1.00 2.23 C ATOM 559 O PHE A 95 11.869 -8.649 -5.411 1.00 70.54 O ATOM 560 CB PHE A 95 10.073 -9.145 -2.847 1.00 31.00 C ATOM 561 CG PHE A 95 8.979 -9.678 -1.967 1.00 22.45 C ATOM 562 CD1 PHE A 95 7.679 -9.218 -2.099 1.00 31.33 C ATOM 563 CD2 PHE A 95 9.251 -10.639 -1.006 1.00 64.52 C ATOM 564 CE1 PHE A 95 6.670 -9.707 -1.290 1.00 70.33 C ATOM 565 CE2 PHE A 95 8.247 -11.132 -0.195 1.00 74.44 C ATOM 566 CZ PHE A 95 6.955 -10.665 -0.337 1.00 14.13 C ATOM 0 H PHE A 95 11.565 -10.941 -4.537 1.00 64.13 H new ATOM 0 HA PHE A 95 8.913 -9.663 -4.581 1.00 23.41 H new ATOM 0 HB2 PHE A 95 11.037 -9.458 -2.445 1.00 31.00 H new ATOM 0 HB3 PHE A 95 10.054 -8.056 -2.817 1.00 31.00 H new ATOM 0 HD1 PHE A 95 7.451 -8.469 -2.843 1.00 31.33 H new ATOM 0 HD2 PHE A 95 10.260 -11.007 -0.890 1.00 64.52 H new ATOM 0 HE1 PHE A 95 5.660 -9.340 -1.403 1.00 70.33 H new ATOM 0 HE2 PHE A 95 8.472 -11.882 0.549 1.00 74.44 H new ATOM 0 HZ PHE A 95 6.169 -11.048 0.296 1.00 14.13 H new ATOM 576 N SER A 96 9.869 -7.687 -5.782 1.00 72.40 N ATOM 577 CA SER A 96 10.401 -6.671 -6.682 1.00 63.43 C ATOM 578 C SER A 96 9.618 -5.368 -6.555 1.00 23.24 C ATOM 579 O SER A 96 8.387 -5.364 -6.592 1.00 1.34 O ATOM 580 CB SER A 96 10.356 -7.167 -8.129 1.00 31.21 C ATOM 581 OG SER A 96 11.317 -8.185 -8.350 1.00 33.14 O ATOM 0 H SER A 96 8.862 -7.630 -5.631 1.00 72.40 H new ATOM 0 HA SER A 96 11.437 -6.480 -6.402 1.00 63.43 H new ATOM 0 HB2 SER A 96 9.360 -7.548 -8.355 1.00 31.21 H new ATOM 0 HB3 SER A 96 10.541 -6.335 -8.808 1.00 31.21 H new ATOM 0 HG SER A 96 11.267 -8.486 -9.281 1.00 33.14 H new ATOM 587 N LEU A 97 10.341 -4.264 -6.404 1.00 51.30 N ATOM 588 CA LEU A 97 9.716 -2.953 -6.271 1.00 14.54 C ATOM 589 C LEU A 97 9.483 -2.319 -7.638 1.00 55.33 C ATOM 590 O LEU A 97 10.176 -2.633 -8.606 1.00 31.05 O ATOM 591 CB LEU A 97 10.588 -2.035 -5.412 1.00 52.44 C ATOM 592 CG LEU A 97 10.125 -0.582 -5.300 1.00 1.42 C ATOM 593 CD1 LEU A 97 8.986 -0.460 -4.300 1.00 32.23 C ATOM 594 CD2 LEU A 97 11.286 0.318 -4.901 1.00 15.41 C ATOM 0 H LEU A 97 11.360 -4.251 -6.371 1.00 51.30 H new ATOM 0 HA LEU A 97 8.750 -3.087 -5.784 1.00 14.54 H new ATOM 0 HB2 LEU A 97 10.645 -2.456 -4.408 1.00 52.44 H new ATOM 0 HB3 LEU A 97 11.599 -2.043 -5.818 1.00 52.44 H new ATOM 0 HG LEU A 97 9.760 -0.261 -6.276 1.00 1.42 H new ATOM 0 HD11 LEU A 97 8.670 0.581 -4.234 1.00 32.23 H new ATOM 0 HD12 LEU A 97 8.147 -1.074 -4.628 1.00 32.23 H new ATOM 0 HD13 LEU A 97 9.324 -0.800 -3.321 1.00 32.23 H new ATOM 0 HD21 LEU A 97 10.938 1.348 -4.826 1.00 15.41 H new ATOM 0 HD22 LEU A 97 11.681 -0.003 -3.937 1.00 15.41 H new ATOM 0 HD23 LEU A 97 12.071 0.254 -5.654 1.00 15.41 H new ATOM 606 N SER A 98 8.503 -1.423 -7.711 1.00 1.15 N ATOM 607 CA SER A 98 8.177 -0.746 -8.960 1.00 44.51 C ATOM 608 C SER A 98 7.814 0.715 -8.708 1.00 21.42 C ATOM 609 O SER A 98 6.744 1.018 -8.180 1.00 60.01 O ATOM 610 CB SER A 98 7.020 -1.457 -9.664 1.00 11.43 C ATOM 611 OG SER A 98 5.802 -1.264 -8.965 1.00 4.25 O ATOM 0 H SER A 98 7.921 -1.150 -6.919 1.00 1.15 H new ATOM 0 HA SER A 98 9.057 -0.778 -9.602 1.00 44.51 H new ATOM 0 HB2 SER A 98 6.923 -1.080 -10.682 1.00 11.43 H new ATOM 0 HB3 SER A 98 7.235 -2.523 -9.738 1.00 11.43 H new ATOM 0 HG SER A 98 5.961 -1.349 -8.002 1.00 4.25 H new ATOM 617 N VAL A 99 8.714 1.616 -9.089 1.00 13.11 N ATOM 618 CA VAL A 99 8.489 3.045 -8.906 1.00 20.03 C ATOM 619 C VAL A 99 8.194 3.730 -10.235 1.00 71.24 C ATOM 620 O VAL A 99 8.736 3.353 -11.275 1.00 1.14 O ATOM 621 CB VAL A 99 9.706 3.725 -8.250 1.00 35.24 C ATOM 622 CG1 VAL A 99 10.109 4.966 -9.030 1.00 41.33 C ATOM 623 CG2 VAL A 99 9.404 4.072 -6.799 1.00 73.55 C ATOM 0 H VAL A 99 9.605 1.382 -9.526 1.00 13.11 H new ATOM 0 HA VAL A 99 7.626 3.148 -8.248 1.00 20.03 H new ATOM 0 HB VAL A 99 10.543 3.027 -8.267 1.00 35.24 H new ATOM 0 HG11 VAL A 99 10.970 5.433 -8.552 1.00 41.33 H new ATOM 0 HG12 VAL A 99 10.369 4.686 -10.051 1.00 41.33 H new ATOM 0 HG13 VAL A 99 9.278 5.671 -9.048 1.00 41.33 H new ATOM 0 HG21 VAL A 99 10.274 4.552 -6.351 1.00 73.55 H new ATOM 0 HG22 VAL A 99 8.553 4.752 -6.757 1.00 73.55 H new ATOM 0 HG23 VAL A 99 9.168 3.161 -6.249 1.00 73.55 H new ATOM 633 N LYS A 100 7.331 4.739 -10.196 1.00 14.11 N ATOM 634 CA LYS A 100 6.963 5.480 -11.397 1.00 21.41 C ATOM 635 C LYS A 100 7.840 6.716 -11.563 1.00 42.42 C ATOM 636 O LYS A 100 7.898 7.572 -10.680 1.00 11.11 O ATOM 637 CB LYS A 100 5.490 5.890 -11.337 1.00 41.31 C ATOM 638 CG LYS A 100 5.049 6.746 -12.512 1.00 1.43 C ATOM 639 CD LYS A 100 3.547 6.669 -12.725 1.00 54.01 C ATOM 640 CE LYS A 100 2.994 7.975 -13.276 1.00 30.41 C ATOM 641 NZ LYS A 100 2.781 8.984 -12.202 1.00 32.34 N ATOM 0 H LYS A 100 6.872 5.063 -9.344 1.00 14.11 H new ATOM 0 HA LYS A 100 7.117 4.829 -12.257 1.00 21.41 H new ATOM 0 HB2 LYS A 100 4.873 4.992 -11.300 1.00 41.31 H new ATOM 0 HB3 LYS A 100 5.311 6.438 -10.412 1.00 41.31 H new ATOM 0 HG2 LYS A 100 5.340 7.782 -12.338 1.00 1.43 H new ATOM 0 HG3 LYS A 100 5.563 6.418 -13.416 1.00 1.43 H new ATOM 0 HD2 LYS A 100 3.317 5.856 -13.414 1.00 54.01 H new ATOM 0 HD3 LYS A 100 3.056 6.435 -11.780 1.00 54.01 H new ATOM 0 HE2 LYS A 100 3.683 8.376 -14.020 1.00 30.41 H new ATOM 0 HE3 LYS A 100 2.050 7.783 -13.786 1.00 30.41 H new ATOM 0 HZ1 LYS A 100 2.404 9.859 -12.618 1.00 32.34 H new ATOM 0 HZ2 LYS A 100 2.104 8.612 -11.505 1.00 32.34 H new ATOM 0 HZ3 LYS A 100 3.686 9.186 -11.731 1.00 32.34 H new ATOM 655 N PHE A 101 8.521 6.805 -12.701 1.00 54.13 N ATOM 656 CA PHE A 101 9.394 7.938 -12.983 1.00 64.13 C ATOM 657 C PHE A 101 8.995 8.621 -14.288 1.00 1.20 C ATOM 658 O PHE A 101 9.396 8.198 -15.371 1.00 61.13 O ATOM 659 CB PHE A 101 10.852 7.478 -13.060 1.00 52.35 C ATOM 660 CG PHE A 101 11.485 7.264 -11.715 1.00 52.23 C ATOM 661 CD1 PHE A 101 11.585 8.307 -10.808 1.00 61.33 C ATOM 662 CD2 PHE A 101 11.980 6.020 -11.358 1.00 50.32 C ATOM 663 CE1 PHE A 101 12.167 8.113 -9.569 1.00 72.04 C ATOM 664 CE2 PHE A 101 12.562 5.821 -10.121 1.00 21.43 C ATOM 665 CZ PHE A 101 12.657 6.868 -9.226 1.00 12.43 C ATOM 0 H PHE A 101 8.485 6.106 -13.443 1.00 54.13 H new ATOM 0 HA PHE A 101 9.289 8.657 -12.171 1.00 64.13 H new ATOM 0 HB2 PHE A 101 10.902 6.549 -13.628 1.00 52.35 H new ATOM 0 HB3 PHE A 101 11.430 8.220 -13.611 1.00 52.35 H new ATOM 0 HD1 PHE A 101 11.204 9.282 -11.072 1.00 61.33 H new ATOM 0 HD2 PHE A 101 11.910 5.197 -12.054 1.00 50.32 H new ATOM 0 HE1 PHE A 101 12.238 8.934 -8.870 1.00 72.04 H new ATOM 0 HE2 PHE A 101 12.943 4.846 -9.854 1.00 21.43 H new ATOM 0 HZ PHE A 101 13.114 6.714 -8.259 1.00 12.43 H new ATOM 675 N GLY A 102 8.201 9.682 -14.175 1.00 30.31 N ATOM 676 CA GLY A 102 7.759 10.407 -15.352 1.00 64.30 C ATOM 677 C GLY A 102 6.885 9.563 -16.259 1.00 24.14 C ATOM 678 O GLY A 102 5.916 8.954 -15.807 1.00 4.52 O ATOM 0 H GLY A 102 7.856 10.052 -13.289 1.00 30.31 H new ATOM 0 HA2 GLY A 102 7.206 11.294 -15.042 1.00 64.30 H new ATOM 0 HA3 GLY A 102 8.629 10.753 -15.910 1.00 64.30 H new ATOM 682 N ASN A 103 7.228 9.528 -17.542 1.00 74.44 N ATOM 683 CA ASN A 103 6.465 8.754 -18.516 1.00 22.14 C ATOM 684 C ASN A 103 7.031 7.344 -18.653 1.00 33.55 C ATOM 685 O ASN A 103 6.847 6.687 -19.678 1.00 31.25 O ATOM 686 CB ASN A 103 6.476 9.454 -19.876 1.00 12.00 C ATOM 687 CG ASN A 103 5.079 9.680 -20.421 1.00 72.41 C ATOM 688 OD1 ASN A 103 4.335 10.524 -19.923 1.00 11.54 O ATOM 689 ND2 ASN A 103 4.716 8.923 -21.450 1.00 31.51 N ATOM 0 H ASN A 103 8.028 10.026 -17.932 1.00 74.44 H new ATOM 0 HA ASN A 103 5.437 8.681 -18.161 1.00 22.14 H new ATOM 0 HB2 ASN A 103 6.987 10.413 -19.784 1.00 12.00 H new ATOM 0 HB3 ASN A 103 7.047 8.855 -20.585 1.00 12.00 H new ATOM 0 HD21 ASN A 103 3.788 9.029 -21.859 1.00 31.51 H new ATOM 0 HD22 ASN A 103 5.366 8.235 -21.831 1.00 31.51 H new ATOM 696 N ASP A 104 7.718 6.884 -17.613 1.00 4.51 N ATOM 697 CA ASP A 104 8.310 5.551 -17.616 1.00 13.43 C ATOM 698 C ASP A 104 8.237 4.922 -16.228 1.00 72.31 C ATOM 699 O ASP A 104 8.365 5.610 -15.215 1.00 61.52 O ATOM 700 CB ASP A 104 9.764 5.616 -18.084 1.00 42.32 C ATOM 701 CG ASP A 104 9.956 6.569 -19.248 1.00 13.23 C ATOM 702 OD1 ASP A 104 9.884 7.796 -19.027 1.00 44.01 O ATOM 703 OD2 ASP A 104 10.176 6.088 -20.379 1.00 71.01 O ATOM 0 H ASP A 104 7.879 7.415 -16.757 1.00 4.51 H new ATOM 0 HA ASP A 104 7.742 4.929 -18.308 1.00 13.43 H new ATOM 0 HB2 ASP A 104 10.396 5.930 -17.253 1.00 42.32 H new ATOM 0 HB3 ASP A 104 10.093 4.619 -18.376 1.00 42.32 H new ATOM 708 N VAL A 105 8.029 3.609 -16.189 1.00 51.34 N ATOM 709 CA VAL A 105 7.939 2.886 -14.926 1.00 51.45 C ATOM 710 C VAL A 105 9.162 2.002 -14.711 1.00 10.31 C ATOM 711 O VAL A 105 9.424 1.088 -15.492 1.00 12.01 O ATOM 712 CB VAL A 105 6.671 2.013 -14.869 1.00 3.33 C ATOM 713 CG1 VAL A 105 6.670 1.156 -13.612 1.00 62.24 C ATOM 714 CG2 VAL A 105 5.424 2.881 -14.933 1.00 14.32 C ATOM 0 H VAL A 105 7.920 3.025 -17.018 1.00 51.34 H new ATOM 0 HA VAL A 105 7.892 3.634 -14.135 1.00 51.45 H new ATOM 0 HB VAL A 105 6.668 1.349 -15.733 1.00 3.33 H new ATOM 0 HG11 VAL A 105 5.767 0.546 -13.588 1.00 62.24 H new ATOM 0 HG12 VAL A 105 7.546 0.508 -13.613 1.00 62.24 H new ATOM 0 HG13 VAL A 105 6.696 1.800 -12.733 1.00 62.24 H new ATOM 0 HG21 VAL A 105 4.538 2.248 -14.892 1.00 14.32 H new ATOM 0 HG22 VAL A 105 5.417 3.571 -14.089 1.00 14.32 H new ATOM 0 HG23 VAL A 105 5.422 3.447 -15.864 1.00 14.32 H new ATOM 724 N GLN A 106 9.907 2.281 -13.646 1.00 52.40 N ATOM 725 CA GLN A 106 11.103 1.511 -13.328 1.00 21.20 C ATOM 726 C GLN A 106 10.837 0.542 -12.180 1.00 44.04 C ATOM 727 O GLN A 106 9.768 0.565 -11.569 1.00 44.25 O ATOM 728 CB GLN A 106 12.257 2.447 -12.964 1.00 14.10 C ATOM 729 CG GLN A 106 12.352 3.672 -13.860 1.00 30.25 C ATOM 730 CD GLN A 106 12.770 3.328 -15.276 1.00 12.03 C ATOM 731 OE1 GLN A 106 12.287 2.357 -15.859 1.00 43.02 O ATOM 732 NE2 GLN A 106 13.672 4.125 -15.837 1.00 74.10 N ATOM 0 H GLN A 106 9.703 3.034 -12.989 1.00 52.40 H new ATOM 0 HA GLN A 106 11.378 0.934 -14.211 1.00 21.20 H new ATOM 0 HB2 GLN A 106 12.139 2.771 -11.930 1.00 14.10 H new ATOM 0 HB3 GLN A 106 13.194 1.893 -13.019 1.00 14.10 H new ATOM 0 HG2 GLN A 106 11.386 4.177 -13.883 1.00 30.25 H new ATOM 0 HG3 GLN A 106 13.069 4.374 -13.434 1.00 30.25 H new ATOM 0 HE21 GLN A 106 14.045 4.919 -15.316 1.00 74.10 H new ATOM 0 HE22 GLN A 106 13.991 3.943 -16.789 1.00 74.10 H new ATOM 741 N HIS A 107 11.817 -0.309 -11.893 1.00 33.55 N ATOM 742 CA HIS A 107 11.689 -1.287 -10.817 1.00 54.15 C ATOM 743 C HIS A 107 13.057 -1.657 -10.253 1.00 41.34 C ATOM 744 O HIS A 107 14.090 -1.290 -10.813 1.00 64.25 O ATOM 745 CB HIS A 107 10.976 -2.542 -11.323 1.00 3.10 C ATOM 746 CG HIS A 107 11.208 -2.818 -12.777 1.00 1.43 C ATOM 747 ND1 HIS A 107 12.461 -3.031 -13.312 1.00 31.11 N ATOM 748 CD2 HIS A 107 10.338 -2.916 -13.809 1.00 0.11 C ATOM 749 CE1 HIS A 107 12.352 -3.247 -14.611 1.00 15.04 C ATOM 750 NE2 HIS A 107 11.073 -3.183 -14.937 1.00 44.14 N ATOM 0 H HIS A 107 12.707 -0.342 -12.389 1.00 33.55 H new ATOM 0 HA HIS A 107 11.097 -0.838 -10.020 1.00 54.15 H new ATOM 0 HB2 HIS A 107 11.312 -3.400 -10.741 1.00 3.10 H new ATOM 0 HB3 HIS A 107 9.905 -2.437 -11.148 1.00 3.10 H new ATOM 0 HD2 HIS A 107 9.265 -2.805 -13.755 1.00 0.11 H new ATOM 0 HE1 HIS A 107 13.169 -3.442 -15.290 1.00 15.04 H new ATOM 0 HE2 HIS A 107 10.693 -3.311 -15.875 1.00 44.14 H new ATOM 758 N PHE A 108 13.056 -2.384 -9.141 1.00 44.02 N ATOM 759 CA PHE A 108 14.298 -2.802 -8.500 1.00 52.31 C ATOM 760 C PHE A 108 14.179 -4.224 -7.960 1.00 42.02 C ATOM 761 O PHE A 108 13.348 -4.506 -7.097 1.00 10.43 O ATOM 762 CB PHE A 108 14.659 -1.842 -7.365 1.00 14.42 C ATOM 763 CG PHE A 108 14.568 -0.393 -7.753 1.00 25.40 C ATOM 764 CD1 PHE A 108 15.661 0.260 -8.299 1.00 4.40 C ATOM 765 CD2 PHE A 108 13.391 0.314 -7.572 1.00 71.05 C ATOM 766 CE1 PHE A 108 15.581 1.593 -8.656 1.00 42.03 C ATOM 767 CE2 PHE A 108 13.305 1.647 -7.928 1.00 73.23 C ATOM 768 CZ PHE A 108 14.401 2.287 -8.472 1.00 22.21 C ATOM 0 H PHE A 108 12.210 -2.696 -8.665 1.00 44.02 H new ATOM 0 HA PHE A 108 15.089 -2.782 -9.249 1.00 52.31 H new ATOM 0 HB2 PHE A 108 13.996 -2.026 -6.520 1.00 14.42 H new ATOM 0 HB3 PHE A 108 15.673 -2.056 -7.027 1.00 14.42 H new ATOM 0 HD1 PHE A 108 16.586 -0.278 -8.447 1.00 4.40 H new ATOM 0 HD2 PHE A 108 12.530 -0.182 -7.148 1.00 71.05 H new ATOM 0 HE1 PHE A 108 16.441 2.092 -9.079 1.00 42.03 H new ATOM 0 HE2 PHE A 108 12.382 2.187 -7.781 1.00 73.23 H new ATOM 0 HZ PHE A 108 14.336 3.328 -8.753 1.00 22.21 H new ATOM 778 N LYS A 109 15.016 -5.118 -8.476 1.00 5.33 N ATOM 779 CA LYS A 109 15.008 -6.511 -8.047 1.00 21.23 C ATOM 780 C LYS A 109 15.546 -6.646 -6.626 1.00 22.42 C ATOM 781 O LYS A 109 16.734 -6.440 -6.379 1.00 45.00 O ATOM 782 CB LYS A 109 15.843 -7.366 -9.003 1.00 40.20 C ATOM 783 CG LYS A 109 15.009 -8.208 -9.952 1.00 75.03 C ATOM 784 CD LYS A 109 14.814 -9.619 -9.422 1.00 12.51 C ATOM 785 CE LYS A 109 16.096 -10.432 -9.517 1.00 54.25 C ATOM 786 NZ LYS A 109 16.214 -11.128 -10.828 1.00 61.53 N ATOM 0 H LYS A 109 15.709 -4.902 -9.193 1.00 5.33 H new ATOM 0 HA LYS A 109 13.977 -6.863 -8.061 1.00 21.23 H new ATOM 0 HB2 LYS A 109 16.494 -6.714 -9.586 1.00 40.20 H new ATOM 0 HB3 LYS A 109 16.489 -8.023 -8.420 1.00 40.20 H new ATOM 0 HG2 LYS A 109 14.037 -7.737 -10.100 1.00 75.03 H new ATOM 0 HG3 LYS A 109 15.495 -8.249 -10.927 1.00 75.03 H new ATOM 0 HD2 LYS A 109 14.485 -9.577 -8.384 1.00 12.51 H new ATOM 0 HD3 LYS A 109 14.025 -10.115 -9.987 1.00 12.51 H new ATOM 0 HE2 LYS A 109 16.954 -9.775 -9.376 1.00 54.25 H new ATOM 0 HE3 LYS A 109 16.121 -11.167 -8.712 1.00 54.25 H new ATOM 0 HZ1 LYS A 109 17.100 -11.671 -10.854 1.00 61.53 H new ATOM 0 HZ2 LYS A 109 15.408 -11.774 -10.952 1.00 61.53 H new ATOM 0 HZ3 LYS A 109 16.216 -10.426 -11.595 1.00 61.53 H new ATOM 800 N VAL A 110 14.664 -6.996 -5.695 1.00 3.45 N ATOM 801 CA VAL A 110 15.052 -7.161 -4.299 1.00 15.04 C ATOM 802 C VAL A 110 15.797 -8.474 -4.087 1.00 10.10 C ATOM 803 O VAL A 110 15.448 -9.500 -4.672 1.00 33.23 O ATOM 804 CB VAL A 110 13.825 -7.124 -3.368 1.00 10.13 C ATOM 805 CG1 VAL A 110 14.182 -7.664 -1.991 1.00 65.04 C ATOM 806 CG2 VAL A 110 13.275 -5.709 -3.268 1.00 30.10 C ATOM 0 H VAL A 110 13.677 -7.171 -5.882 1.00 3.45 H new ATOM 0 HA VAL A 110 15.711 -6.329 -4.053 1.00 15.04 H new ATOM 0 HB VAL A 110 13.050 -7.762 -3.792 1.00 10.13 H new ATOM 0 HG11 VAL A 110 13.303 -7.630 -1.348 1.00 65.04 H new ATOM 0 HG12 VAL A 110 14.525 -8.695 -2.082 1.00 65.04 H new ATOM 0 HG13 VAL A 110 14.974 -7.055 -1.555 1.00 65.04 H new ATOM 0 HG21 VAL A 110 12.409 -5.701 -2.607 1.00 30.10 H new ATOM 0 HG22 VAL A 110 14.043 -5.047 -2.868 1.00 30.10 H new ATOM 0 HG23 VAL A 110 12.978 -5.363 -4.258 1.00 30.10 H new ATOM 816 N LEU A 111 16.825 -8.435 -3.247 1.00 64.01 N ATOM 817 CA LEU A 111 17.621 -9.623 -2.957 1.00 4.54 C ATOM 818 C LEU A 111 17.188 -10.261 -1.641 1.00 15.51 C ATOM 819 O LEU A 111 16.683 -9.581 -0.747 1.00 5.04 O ATOM 820 CB LEU A 111 19.107 -9.263 -2.897 1.00 10.33 C ATOM 821 CG LEU A 111 19.832 -9.178 -4.240 1.00 71.43 C ATOM 822 CD1 LEU A 111 19.621 -10.454 -5.041 1.00 44.24 C ATOM 823 CD2 LEU A 111 19.356 -7.967 -5.028 1.00 55.23 C ATOM 0 H LEU A 111 17.127 -7.594 -2.755 1.00 64.01 H new ATOM 0 HA LEU A 111 17.459 -10.343 -3.759 1.00 4.54 H new ATOM 0 HB2 LEU A 111 19.207 -8.303 -2.391 1.00 10.33 H new ATOM 0 HB3 LEU A 111 19.615 -10.003 -2.279 1.00 10.33 H new ATOM 0 HG LEU A 111 20.899 -9.065 -4.049 1.00 71.43 H new ATOM 0 HD11 LEU A 111 20.144 -10.376 -5.994 1.00 44.24 H new ATOM 0 HD12 LEU A 111 20.012 -11.304 -4.481 1.00 44.24 H new ATOM 0 HD13 LEU A 111 18.556 -10.598 -5.222 1.00 44.24 H new ATOM 0 HD21 LEU A 111 19.883 -7.923 -5.981 1.00 55.23 H new ATOM 0 HD22 LEU A 111 18.284 -8.049 -5.209 1.00 55.23 H new ATOM 0 HD23 LEU A 111 19.559 -7.060 -4.459 1.00 55.23 H new ATOM 835 N ARG A 112 17.389 -11.569 -1.529 1.00 73.52 N ATOM 836 CA ARG A 112 17.019 -12.299 -0.322 1.00 62.03 C ATOM 837 C ARG A 112 18.193 -13.125 0.194 1.00 23.53 C ATOM 838 O ARG A 112 18.992 -13.643 -0.586 1.00 70.44 O ATOM 839 CB ARG A 112 15.822 -13.211 -0.598 1.00 42.22 C ATOM 840 CG ARG A 112 14.509 -12.462 -0.751 1.00 15.21 C ATOM 841 CD ARG A 112 14.378 -11.841 -2.133 1.00 64.41 C ATOM 842 NE ARG A 112 13.870 -12.795 -3.115 1.00 52.14 N ATOM 843 CZ ARG A 112 14.651 -13.551 -3.879 1.00 22.05 C ATOM 844 NH1 ARG A 112 15.970 -13.465 -3.773 1.00 21.32 N ATOM 845 NH2 ARG A 112 14.113 -14.395 -4.749 1.00 65.45 N ATOM 0 H ARG A 112 17.806 -12.146 -2.259 1.00 73.52 H new ATOM 0 HA ARG A 112 16.744 -11.572 0.442 1.00 62.03 H new ATOM 0 HB2 ARG A 112 16.013 -13.782 -1.507 1.00 42.22 H new ATOM 0 HB3 ARG A 112 15.728 -13.930 0.216 1.00 42.22 H new ATOM 0 HG2 ARG A 112 13.677 -13.145 -0.578 1.00 15.21 H new ATOM 0 HG3 ARG A 112 14.444 -11.682 0.007 1.00 15.21 H new ATOM 0 HD2 ARG A 112 13.709 -10.982 -2.083 1.00 64.41 H new ATOM 0 HD3 ARG A 112 15.350 -11.470 -2.457 1.00 64.41 H new ATOM 0 HE ARG A 112 12.860 -12.886 -3.220 1.00 52.14 H new ATOM 0 HH11 ARG A 112 16.387 -12.818 -3.104 1.00 21.32 H new ATOM 0 HH12 ARG A 112 16.568 -14.046 -4.360 1.00 21.32 H new ATOM 0 HH21 ARG A 112 13.099 -14.464 -4.832 1.00 65.45 H new ATOM 0 HH22 ARG A 112 14.713 -14.975 -5.335 1.00 65.45 H new ATOM 859 N ASP A 113 18.291 -13.244 1.514 1.00 45.32 N ATOM 860 CA ASP A 113 19.367 -14.007 2.135 1.00 24.41 C ATOM 861 C ASP A 113 18.912 -15.429 2.452 1.00 43.51 C ATOM 862 O ASP A 113 17.741 -15.767 2.290 1.00 15.41 O ATOM 863 CB ASP A 113 19.842 -13.314 3.413 1.00 51.30 C ATOM 864 CG ASP A 113 21.344 -13.402 3.596 1.00 22.21 C ATOM 865 OD1 ASP A 113 22.050 -13.641 2.595 1.00 65.54 O ATOM 866 OD2 ASP A 113 21.814 -13.233 4.741 1.00 33.11 O ATOM 0 H ASP A 113 17.638 -12.822 2.174 1.00 45.32 H new ATOM 0 HA ASP A 113 20.196 -14.058 1.429 1.00 24.41 H new ATOM 0 HB2 ASP A 113 19.543 -12.266 3.387 1.00 51.30 H new ATOM 0 HB3 ASP A 113 19.347 -13.765 4.273 1.00 51.30 H new ATOM 871 N GLY A 114 19.849 -16.258 2.904 1.00 55.35 N ATOM 872 CA GLY A 114 19.524 -17.633 3.235 1.00 64.05 C ATOM 873 C GLY A 114 18.943 -17.773 4.627 1.00 1.55 C ATOM 874 O GLY A 114 19.097 -18.810 5.270 1.00 21.44 O ATOM 0 H GLY A 114 20.826 -16.002 3.047 1.00 55.35 H new ATOM 0 HA2 GLY A 114 18.811 -18.020 2.507 1.00 64.05 H new ATOM 0 HA3 GLY A 114 20.423 -18.244 3.157 1.00 64.05 H new ATOM 878 N ALA A 115 18.274 -16.724 5.096 1.00 43.24 N ATOM 879 CA ALA A 115 17.668 -16.734 6.421 1.00 31.21 C ATOM 880 C ALA A 115 16.291 -16.080 6.400 1.00 53.12 C ATOM 881 O ALA A 115 15.365 -16.537 7.069 1.00 2.34 O ATOM 882 CB ALA A 115 18.573 -16.031 7.421 1.00 3.52 C ATOM 0 H ALA A 115 18.138 -15.856 4.577 1.00 43.24 H new ATOM 0 HA ALA A 115 17.543 -17.772 6.728 1.00 31.21 H new ATOM 0 HB1 ALA A 115 18.107 -16.046 8.406 1.00 3.52 H new ATOM 0 HB2 ALA A 115 19.534 -16.544 7.466 1.00 3.52 H new ATOM 0 HB3 ALA A 115 18.727 -14.998 7.109 1.00 3.52 H new ATOM 888 N GLY A 116 16.162 -15.006 5.626 1.00 24.01 N ATOM 889 CA GLY A 116 14.895 -14.306 5.533 1.00 14.12 C ATOM 890 C GLY A 116 15.057 -12.801 5.605 1.00 41.55 C ATOM 891 O GLY A 116 14.199 -12.100 6.143 1.00 25.43 O ATOM 0 H GLY A 116 16.913 -14.609 5.062 1.00 24.01 H new ATOM 0 HA2 GLY A 116 14.405 -14.571 4.596 1.00 14.12 H new ATOM 0 HA3 GLY A 116 14.241 -14.637 6.340 1.00 14.12 H new ATOM 895 N LYS A 117 16.161 -12.300 5.061 1.00 4.21 N ATOM 896 CA LYS A 117 16.435 -10.868 5.065 1.00 2.31 C ATOM 897 C LYS A 117 16.360 -10.296 3.653 1.00 4.41 C ATOM 898 O LYS A 117 16.641 -10.990 2.676 1.00 74.22 O ATOM 899 CB LYS A 117 17.816 -10.593 5.666 1.00 72.25 C ATOM 900 CG LYS A 117 17.847 -10.675 7.182 1.00 72.21 C ATOM 901 CD LYS A 117 18.169 -12.082 7.658 1.00 40.22 C ATOM 902 CE LYS A 117 17.287 -12.490 8.828 1.00 70.23 C ATOM 903 NZ LYS A 117 18.091 -12.908 10.009 1.00 2.45 N ATOM 0 H LYS A 117 16.881 -12.865 4.611 1.00 4.21 H new ATOM 0 HA LYS A 117 15.676 -10.380 5.677 1.00 2.31 H new ATOM 0 HB2 LYS A 117 18.530 -11.308 5.257 1.00 72.25 H new ATOM 0 HB3 LYS A 117 18.146 -9.601 5.357 1.00 72.25 H new ATOM 0 HG2 LYS A 117 18.591 -9.980 7.570 1.00 72.21 H new ATOM 0 HG3 LYS A 117 16.882 -10.366 7.584 1.00 72.21 H new ATOM 0 HD2 LYS A 117 18.033 -12.785 6.836 1.00 40.22 H new ATOM 0 HD3 LYS A 117 19.217 -12.136 7.954 1.00 40.22 H new ATOM 0 HE2 LYS A 117 16.642 -11.656 9.105 1.00 70.23 H new ATOM 0 HE3 LYS A 117 16.636 -13.309 8.524 1.00 70.23 H new ATOM 0 HZ1 LYS A 117 17.453 -13.178 10.785 1.00 2.45 H new ATOM 0 HZ2 LYS A 117 18.688 -13.720 9.753 1.00 2.45 H new ATOM 0 HZ3 LYS A 117 18.694 -12.118 10.316 1.00 2.45 H new ATOM 917 N TYR A 118 15.982 -9.026 3.553 1.00 25.15 N ATOM 918 CA TYR A 118 15.870 -8.361 2.261 1.00 63.23 C ATOM 919 C TYR A 118 16.894 -7.237 2.136 1.00 50.05 C ATOM 920 O TYR A 118 17.149 -6.504 3.091 1.00 15.05 O ATOM 921 CB TYR A 118 14.458 -7.804 2.071 1.00 5.11 C ATOM 922 CG TYR A 118 13.370 -8.839 2.246 1.00 3.13 C ATOM 923 CD1 TYR A 118 13.152 -9.815 1.282 1.00 35.32 C ATOM 924 CD2 TYR A 118 12.560 -8.840 3.375 1.00 24.11 C ATOM 925 CE1 TYR A 118 12.158 -10.763 1.438 1.00 41.35 C ATOM 926 CE2 TYR A 118 11.566 -9.784 3.540 1.00 74.34 C ATOM 927 CZ TYR A 118 11.368 -10.743 2.568 1.00 22.31 C ATOM 928 OH TYR A 118 10.377 -11.685 2.728 1.00 43.25 O ATOM 0 H TYR A 118 15.748 -8.437 4.352 1.00 25.15 H new ATOM 0 HA TYR A 118 16.070 -9.098 1.483 1.00 63.23 H new ATOM 0 HB2 TYR A 118 14.297 -6.995 2.784 1.00 5.11 H new ATOM 0 HB3 TYR A 118 14.379 -7.371 1.074 1.00 5.11 H new ATOM 0 HD1 TYR A 118 13.769 -9.834 0.396 1.00 35.32 H new ATOM 0 HD2 TYR A 118 12.711 -8.089 4.137 1.00 24.11 H new ATOM 0 HE1 TYR A 118 12.001 -11.515 0.679 1.00 41.35 H new ATOM 0 HE2 TYR A 118 10.947 -9.772 4.425 1.00 74.34 H new ATOM 0 HH TYR A 118 9.914 -11.531 3.578 1.00 43.25 H new ATOM 938 N PHE A 119 17.478 -7.107 0.949 1.00 41.10 N ATOM 939 CA PHE A 119 18.475 -6.073 0.697 1.00 53.33 C ATOM 940 C PHE A 119 18.489 -5.680 -0.778 1.00 4.44 C ATOM 941 O PHE A 119 17.818 -6.299 -1.604 1.00 64.30 O ATOM 942 CB PHE A 119 19.863 -6.558 1.121 1.00 55.23 C ATOM 943 CG PHE A 119 20.171 -7.958 0.672 1.00 42.41 C ATOM 944 CD1 PHE A 119 19.463 -9.034 1.180 1.00 33.30 C ATOM 945 CD2 PHE A 119 21.170 -8.197 -0.258 1.00 4.41 C ATOM 946 CE1 PHE A 119 19.744 -10.324 0.769 1.00 50.31 C ATOM 947 CE2 PHE A 119 21.456 -9.484 -0.673 1.00 52.50 C ATOM 948 CZ PHE A 119 20.743 -10.548 -0.158 1.00 73.51 C ATOM 0 H PHE A 119 17.278 -7.705 0.147 1.00 41.10 H new ATOM 0 HA PHE A 119 18.209 -5.196 1.287 1.00 53.33 H new ATOM 0 HB2 PHE A 119 20.615 -5.881 0.716 1.00 55.23 H new ATOM 0 HB3 PHE A 119 19.941 -6.508 2.207 1.00 55.23 H new ATOM 0 HD1 PHE A 119 18.682 -8.864 1.906 1.00 33.30 H new ATOM 0 HD2 PHE A 119 21.732 -7.368 -0.663 1.00 4.41 H new ATOM 0 HE1 PHE A 119 19.184 -11.155 1.172 1.00 50.31 H new ATOM 0 HE2 PHE A 119 22.236 -9.657 -1.399 1.00 52.50 H new ATOM 0 HZ PHE A 119 20.966 -11.555 -0.480 1.00 73.51 H new ATOM 958 N LEU A 120 19.258 -4.645 -1.100 1.00 63.51 N ATOM 959 CA LEU A 120 19.361 -4.168 -2.475 1.00 2.23 C ATOM 960 C LEU A 120 20.811 -3.866 -2.839 1.00 62.23 C ATOM 961 O LEU A 120 21.512 -4.715 -3.391 1.00 1.33 O ATOM 962 CB LEU A 120 18.504 -2.915 -2.666 1.00 21.24 C ATOM 963 CG LEU A 120 17.132 -3.132 -3.304 1.00 53.20 C ATOM 964 CD1 LEU A 120 16.043 -3.132 -2.242 1.00 61.32 C ATOM 965 CD2 LEU A 120 16.857 -2.064 -4.352 1.00 55.52 C ATOM 0 H LEU A 120 19.819 -4.121 -0.428 1.00 63.51 H new ATOM 0 HA LEU A 120 18.996 -4.955 -3.135 1.00 2.23 H new ATOM 0 HB2 LEU A 120 18.360 -2.446 -1.693 1.00 21.24 H new ATOM 0 HB3 LEU A 120 19.061 -2.208 -3.281 1.00 21.24 H new ATOM 0 HG LEU A 120 17.131 -4.105 -3.796 1.00 53.20 H new ATOM 0 HD11 LEU A 120 15.073 -3.288 -2.715 1.00 61.32 H new ATOM 0 HD12 LEU A 120 16.231 -3.934 -1.528 1.00 61.32 H new ATOM 0 HD13 LEU A 120 16.043 -2.175 -1.721 1.00 61.32 H new ATOM 0 HD21 LEU A 120 15.876 -2.234 -4.796 1.00 55.52 H new ATOM 0 HD22 LEU A 120 16.878 -1.080 -3.883 1.00 55.52 H new ATOM 0 HD23 LEU A 120 17.620 -2.112 -5.129 1.00 55.52 H new ATOM 977 N TRP A 121 21.254 -2.654 -2.526 1.00 64.10 N ATOM 978 CA TRP A 121 22.622 -2.241 -2.819 1.00 24.41 C ATOM 979 C TRP A 121 23.564 -2.636 -1.687 1.00 2.14 C ATOM 980 O TRP A 121 24.333 -3.589 -1.809 1.00 61.44 O ATOM 981 CB TRP A 121 22.683 -0.730 -3.046 1.00 63.15 C ATOM 982 CG TRP A 121 21.874 -0.273 -4.222 1.00 70.44 C ATOM 983 CD1 TRP A 121 20.644 0.319 -4.190 1.00 40.33 C ATOM 984 CD2 TRP A 121 22.237 -0.374 -5.604 1.00 21.24 C ATOM 985 NE1 TRP A 121 20.221 0.593 -5.469 1.00 14.15 N ATOM 986 CE2 TRP A 121 21.180 0.178 -6.354 1.00 2.25 C ATOM 987 CE3 TRP A 121 23.353 -0.875 -6.280 1.00 33.12 C ATOM 988 CZ2 TRP A 121 21.208 0.241 -7.744 1.00 41.01 C ATOM 989 CZ3 TRP A 121 23.379 -0.812 -7.660 1.00 74.30 C ATOM 990 CH2 TRP A 121 22.313 -0.257 -8.380 1.00 54.03 C ATOM 0 H TRP A 121 20.686 -1.940 -2.070 1.00 64.10 H new ATOM 0 HA TRP A 121 22.942 -2.751 -3.728 1.00 24.41 H new ATOM 0 HB2 TRP A 121 22.328 -0.221 -2.150 1.00 63.15 H new ATOM 0 HB3 TRP A 121 23.722 -0.433 -3.191 1.00 63.15 H new ATOM 0 HD1 TRP A 121 20.086 0.539 -3.292 1.00 40.33 H new ATOM 0 HE1 TRP A 121 19.336 1.034 -5.718 1.00 14.15 H new ATOM 0 HE3 TRP A 121 24.180 -1.304 -5.734 1.00 33.12 H new ATOM 0 HZ2 TRP A 121 20.387 0.668 -8.301 1.00 41.01 H new ATOM 0 HZ3 TRP A 121 24.236 -1.197 -8.193 1.00 74.30 H new ATOM 0 HH2 TRP A 121 22.364 -0.221 -9.458 1.00 54.03 H new ATOM 1001 N VAL A 122 23.499 -1.897 -0.584 1.00 1.33 N ATOM 1002 CA VAL A 122 24.346 -2.171 0.571 1.00 13.33 C ATOM 1003 C VAL A 122 23.540 -2.133 1.865 1.00 53.42 C ATOM 1004 O VAL A 122 24.094 -2.243 2.958 1.00 5.02 O ATOM 1005 CB VAL A 122 25.504 -1.160 0.671 1.00 73.01 C ATOM 1006 CG1 VAL A 122 24.966 0.256 0.808 1.00 42.32 C ATOM 1007 CG2 VAL A 122 26.415 -1.508 1.838 1.00 64.32 C ATOM 0 H VAL A 122 22.869 -1.104 -0.466 1.00 1.33 H new ATOM 0 HA VAL A 122 24.757 -3.171 0.431 1.00 13.33 H new ATOM 0 HB VAL A 122 26.090 -1.213 -0.246 1.00 73.01 H new ATOM 0 HG11 VAL A 122 25.798 0.956 0.877 1.00 42.32 H new ATOM 0 HG12 VAL A 122 24.358 0.500 -0.063 1.00 42.32 H new ATOM 0 HG13 VAL A 122 24.356 0.328 1.708 1.00 42.32 H new ATOM 0 HG21 VAL A 122 27.228 -0.784 1.894 1.00 64.32 H new ATOM 0 HG22 VAL A 122 25.843 -1.484 2.766 1.00 64.32 H new ATOM 0 HG23 VAL A 122 26.828 -2.506 1.692 1.00 64.32 H new ATOM 1017 N VAL A 123 22.226 -1.976 1.733 1.00 43.22 N ATOM 1018 CA VAL A 123 21.342 -1.925 2.891 1.00 3.42 C ATOM 1019 C VAL A 123 20.519 -3.202 3.011 1.00 71.10 C ATOM 1020 O VAL A 123 20.054 -3.751 2.012 1.00 42.25 O ATOM 1021 CB VAL A 123 20.389 -0.717 2.817 1.00 74.45 C ATOM 1022 CG1 VAL A 123 19.329 -0.939 1.748 1.00 30.10 C ATOM 1023 CG2 VAL A 123 19.746 -0.462 4.171 1.00 20.15 C ATOM 0 H VAL A 123 21.751 -1.882 0.835 1.00 43.22 H new ATOM 0 HA VAL A 123 21.978 -1.823 3.770 1.00 3.42 H new ATOM 0 HB VAL A 123 20.968 0.165 2.544 1.00 74.45 H new ATOM 0 HG11 VAL A 123 18.665 -0.076 1.710 1.00 30.10 H new ATOM 0 HG12 VAL A 123 19.811 -1.069 0.779 1.00 30.10 H new ATOM 0 HG13 VAL A 123 18.751 -1.831 1.988 1.00 30.10 H new ATOM 0 HG21 VAL A 123 19.076 0.395 4.100 1.00 20.15 H new ATOM 0 HG22 VAL A 123 19.179 -1.342 4.476 1.00 20.15 H new ATOM 0 HG23 VAL A 123 20.521 -0.256 4.909 1.00 20.15 H new ATOM 1033 N LYS A 124 20.341 -3.672 4.241 1.00 1.42 N ATOM 1034 CA LYS A 124 19.572 -4.884 4.494 1.00 20.21 C ATOM 1035 C LYS A 124 18.610 -4.685 5.661 1.00 1.10 C ATOM 1036 O LYS A 124 18.785 -3.777 6.474 1.00 34.23 O ATOM 1037 CB LYS A 124 20.511 -6.056 4.788 1.00 60.40 C ATOM 1038 CG LYS A 124 21.111 -6.020 6.183 1.00 42.02 C ATOM 1039 CD LYS A 124 22.623 -5.871 6.136 1.00 73.53 C ATOM 1040 CE LYS A 124 23.261 -6.247 7.464 1.00 3.11 C ATOM 1041 NZ LYS A 124 23.761 -5.051 8.197 1.00 15.33 N ATOM 0 H LYS A 124 20.720 -3.231 5.079 1.00 1.42 H new ATOM 0 HA LYS A 124 18.990 -5.108 3.600 1.00 20.21 H new ATOM 0 HB2 LYS A 124 19.963 -6.990 4.661 1.00 60.40 H new ATOM 0 HB3 LYS A 124 21.317 -6.057 4.055 1.00 60.40 H new ATOM 0 HG2 LYS A 124 20.680 -5.191 6.744 1.00 42.02 H new ATOM 0 HG3 LYS A 124 20.851 -6.935 6.716 1.00 42.02 H new ATOM 0 HD2 LYS A 124 23.028 -6.502 5.345 1.00 73.53 H new ATOM 0 HD3 LYS A 124 22.881 -4.842 5.886 1.00 73.53 H new ATOM 0 HE2 LYS A 124 22.532 -6.773 8.081 1.00 3.11 H new ATOM 0 HE3 LYS A 124 24.087 -6.937 7.288 1.00 3.11 H new ATOM 0 HZ1 LYS A 124 24.189 -5.349 9.097 1.00 15.33 H new ATOM 0 HZ2 LYS A 124 24.475 -4.563 7.619 1.00 15.33 H new ATOM 0 HZ3 LYS A 124 22.969 -4.404 8.388 1.00 15.33 H new ATOM 1055 N PHE A 125 17.595 -5.539 5.738 1.00 63.40 N ATOM 1056 CA PHE A 125 16.606 -5.457 6.806 1.00 31.21 C ATOM 1057 C PHE A 125 15.929 -6.807 7.025 1.00 15.22 C ATOM 1058 O PHE A 125 16.277 -7.799 6.386 1.00 15.31 O ATOM 1059 CB PHE A 125 15.556 -4.394 6.477 1.00 73.34 C ATOM 1060 CG PHE A 125 16.077 -2.989 6.566 1.00 11.52 C ATOM 1061 CD1 PHE A 125 16.253 -2.378 7.798 1.00 73.14 C ATOM 1062 CD2 PHE A 125 16.392 -2.278 5.419 1.00 14.33 C ATOM 1063 CE1 PHE A 125 16.731 -1.084 7.883 1.00 64.32 C ATOM 1064 CE2 PHE A 125 16.871 -0.984 5.498 1.00 1.33 C ATOM 1065 CZ PHE A 125 17.042 -0.387 6.732 1.00 41.22 C ATOM 0 H PHE A 125 17.436 -6.296 5.073 1.00 63.40 H new ATOM 0 HA PHE A 125 17.122 -5.176 7.724 1.00 31.21 H new ATOM 0 HB2 PHE A 125 15.176 -4.569 5.470 1.00 73.34 H new ATOM 0 HB3 PHE A 125 14.713 -4.504 7.159 1.00 73.34 H new ATOM 0 HD1 PHE A 125 16.014 -2.919 8.701 1.00 73.14 H new ATOM 0 HD2 PHE A 125 16.262 -2.741 4.452 1.00 14.33 H new ATOM 0 HE1 PHE A 125 16.861 -0.618 8.849 1.00 64.32 H new ATOM 0 HE2 PHE A 125 17.111 -0.440 4.596 1.00 1.33 H new ATOM 0 HZ PHE A 125 17.418 0.623 6.797 1.00 41.22 H new ATOM 1075 N ASN A 126 14.959 -6.835 7.934 1.00 23.11 N ATOM 1076 CA ASN A 126 14.233 -8.063 8.239 1.00 2.43 C ATOM 1077 C ASN A 126 12.994 -8.195 7.359 1.00 0.31 C ATOM 1078 O ASN A 126 12.769 -9.233 6.738 1.00 61.31 O ATOM 1079 CB ASN A 126 13.829 -8.088 9.715 1.00 45.52 C ATOM 1080 CG ASN A 126 13.775 -6.699 10.323 1.00 70.31 C ATOM 1081 OD1 ASN A 126 13.088 -5.813 9.814 1.00 65.20 O ATOM 1082 ND2 ASN A 126 14.501 -6.504 11.418 1.00 70.24 N ATOM 0 H ASN A 126 14.658 -6.022 8.472 1.00 23.11 H new ATOM 0 HA ASN A 126 14.893 -8.906 8.035 1.00 2.43 H new ATOM 0 HB2 ASN A 126 12.853 -8.563 9.814 1.00 45.52 H new ATOM 0 HB3 ASN A 126 14.539 -8.699 10.273 1.00 45.52 H new ATOM 0 HD21 ASN A 126 14.504 -5.591 11.872 1.00 70.24 H new ATOM 0 HD22 ASN A 126 15.055 -7.268 11.805 1.00 70.24 H new ATOM 1089 N SER A 127 12.193 -7.135 7.311 1.00 45.33 N ATOM 1090 CA SER A 127 10.975 -7.133 6.509 1.00 2.24 C ATOM 1091 C SER A 127 11.102 -6.174 5.330 1.00 43.42 C ATOM 1092 O SER A 127 12.126 -5.509 5.162 1.00 31.22 O ATOM 1093 CB SER A 127 9.773 -6.743 7.371 1.00 1.55 C ATOM 1094 OG SER A 127 8.684 -7.624 7.157 1.00 3.14 O ATOM 0 H SER A 127 12.366 -6.267 7.818 1.00 45.33 H new ATOM 0 HA SER A 127 10.824 -8.140 6.121 1.00 2.24 H new ATOM 0 HB2 SER A 127 10.056 -6.759 8.423 1.00 1.55 H new ATOM 0 HB3 SER A 127 9.470 -5.722 7.138 1.00 1.55 H new ATOM 0 HG SER A 127 7.929 -7.354 7.721 1.00 3.14 H new ATOM 1100 N LEU A 128 10.056 -6.107 4.515 1.00 54.24 N ATOM 1101 CA LEU A 128 10.048 -5.229 3.349 1.00 22.04 C ATOM 1102 C LEU A 128 9.698 -3.799 3.747 1.00 14.12 C ATOM 1103 O LEU A 128 10.182 -2.841 3.147 1.00 41.23 O ATOM 1104 CB LEU A 128 9.051 -5.740 2.308 1.00 41.22 C ATOM 1105 CG LEU A 128 9.474 -6.985 1.528 1.00 61.03 C ATOM 1106 CD1 LEU A 128 8.328 -7.489 0.664 1.00 43.52 C ATOM 1107 CD2 LEU A 128 10.698 -6.689 0.674 1.00 43.14 C ATOM 0 H LEU A 128 9.202 -6.650 4.639 1.00 54.24 H new ATOM 0 HA LEU A 128 11.048 -5.231 2.916 1.00 22.04 H new ATOM 0 HB2 LEU A 128 8.108 -5.954 2.812 1.00 41.22 H new ATOM 0 HB3 LEU A 128 8.857 -4.938 1.596 1.00 41.22 H new ATOM 0 HG LEU A 128 9.734 -7.766 2.242 1.00 61.03 H new ATOM 0 HD11 LEU A 128 8.648 -8.375 0.116 1.00 43.52 H new ATOM 0 HD12 LEU A 128 7.478 -7.741 1.298 1.00 43.52 H new ATOM 0 HD13 LEU A 128 8.036 -6.712 -0.042 1.00 43.52 H new ATOM 0 HD21 LEU A 128 10.985 -7.586 0.126 1.00 43.14 H new ATOM 0 HD22 LEU A 128 10.465 -5.892 -0.032 1.00 43.14 H new ATOM 0 HD23 LEU A 128 11.522 -6.377 1.315 1.00 43.14 H new ATOM 1119 N ASN A 129 8.854 -3.663 4.765 1.00 33.20 N ATOM 1120 CA ASN A 129 8.439 -2.350 5.245 1.00 45.35 C ATOM 1121 C ASN A 129 9.649 -1.509 5.640 1.00 3.34 C ATOM 1122 O ASN A 129 9.704 -0.312 5.360 1.00 55.20 O ATOM 1123 CB ASN A 129 7.493 -2.495 6.438 1.00 54.54 C ATOM 1124 CG ASN A 129 8.173 -2.186 7.757 1.00 45.40 C ATOM 1125 OD1 ASN A 129 8.534 -0.923 7.955 1.00 50.12 O flip ATOM 1126 ND2 ASN A 129 8.373 -3.072 8.588 1.00 15.13 N flip ATOM 0 H ASN A 129 8.444 -4.446 5.273 1.00 33.20 H new ATOM 0 HA ASN A 129 7.915 -1.843 4.435 1.00 45.35 H new ATOM 0 HB2 ASN A 129 6.642 -1.827 6.306 1.00 54.54 H new ATOM 0 HB3 ASN A 129 7.100 -3.511 6.465 1.00 54.54 H new ATOM 0 HD21 ASN A 129 8.079 -4.029 8.394 1.00 15.13 H new ATOM 0 HD22 ASN A 129 8.833 -2.849 9.471 1.00 15.13 H new ATOM 1133 N GLU A 130 10.617 -2.145 6.293 1.00 3.42 N ATOM 1134 CA GLU A 130 11.826 -1.454 6.727 1.00 21.34 C ATOM 1135 C GLU A 130 12.600 -0.907 5.531 1.00 31.53 C ATOM 1136 O GLU A 130 13.241 0.141 5.619 1.00 62.44 O ATOM 1137 CB GLU A 130 12.717 -2.399 7.536 1.00 20.43 C ATOM 1138 CG GLU A 130 12.810 -2.037 9.009 1.00 43.51 C ATOM 1139 CD GLU A 130 13.141 -0.573 9.229 1.00 22.23 C ATOM 1140 OE1 GLU A 130 13.883 -0.002 8.402 1.00 21.35 O ATOM 1141 OE2 GLU A 130 12.659 0.001 10.228 1.00 61.21 O ATOM 0 H GLU A 130 10.588 -3.136 6.533 1.00 3.42 H new ATOM 0 HA GLU A 130 11.528 -0.617 7.358 1.00 21.34 H new ATOM 0 HB2 GLU A 130 12.333 -3.415 7.444 1.00 20.43 H new ATOM 0 HB3 GLU A 130 13.719 -2.397 7.106 1.00 20.43 H new ATOM 0 HG2 GLU A 130 11.863 -2.269 9.497 1.00 43.51 H new ATOM 0 HG3 GLU A 130 13.573 -2.654 9.484 1.00 43.51 H new ATOM 1148 N LEU A 131 12.536 -1.625 4.415 1.00 54.41 N ATOM 1149 CA LEU A 131 13.230 -1.213 3.200 1.00 42.31 C ATOM 1150 C LEU A 131 12.582 0.029 2.597 1.00 41.34 C ATOM 1151 O LEU A 131 13.205 1.088 2.510 1.00 60.41 O ATOM 1152 CB LEU A 131 13.229 -2.350 2.177 1.00 33.55 C ATOM 1153 CG LEU A 131 14.511 -3.179 2.093 1.00 3.31 C ATOM 1154 CD1 LEU A 131 14.312 -4.539 2.743 1.00 71.35 C ATOM 1155 CD2 LEU A 131 14.950 -3.336 0.645 1.00 61.25 C ATOM 0 H LEU A 131 12.011 -2.495 4.326 1.00 54.41 H new ATOM 0 HA LEU A 131 14.260 -0.971 3.464 1.00 42.31 H new ATOM 0 HB2 LEU A 131 12.401 -3.020 2.409 1.00 33.55 H new ATOM 0 HB3 LEU A 131 13.029 -1.926 1.193 1.00 33.55 H new ATOM 0 HG LEU A 131 15.297 -2.653 2.635 1.00 3.31 H new ATOM 0 HD11 LEU A 131 15.235 -5.114 2.673 1.00 71.35 H new ATOM 0 HD12 LEU A 131 14.046 -4.406 3.792 1.00 71.35 H new ATOM 0 HD13 LEU A 131 13.512 -5.073 2.231 1.00 71.35 H new ATOM 0 HD21 LEU A 131 15.864 -3.929 0.604 1.00 61.25 H new ATOM 0 HD22 LEU A 131 14.166 -3.839 0.080 1.00 61.25 H new ATOM 0 HD23 LEU A 131 15.135 -2.353 0.212 1.00 61.25 H new ATOM 1167 N VAL A 132 11.326 -0.107 2.182 1.00 3.34 N ATOM 1168 CA VAL A 132 10.592 1.005 1.590 1.00 10.03 C ATOM 1169 C VAL A 132 10.748 2.272 2.423 1.00 1.40 C ATOM 1170 O VAL A 132 10.739 3.382 1.891 1.00 54.54 O ATOM 1171 CB VAL A 132 9.094 0.677 1.451 1.00 54.04 C ATOM 1172 CG1 VAL A 132 8.883 -0.442 0.442 1.00 25.01 C ATOM 1173 CG2 VAL A 132 8.502 0.306 2.802 1.00 53.00 C ATOM 0 H VAL A 132 10.796 -0.976 2.245 1.00 3.34 H new ATOM 0 HA VAL A 132 11.014 1.171 0.599 1.00 10.03 H new ATOM 0 HB VAL A 132 8.578 1.565 1.086 1.00 54.04 H new ATOM 0 HG11 VAL A 132 7.818 -0.660 0.357 1.00 25.01 H new ATOM 0 HG12 VAL A 132 9.269 -0.133 -0.530 1.00 25.01 H new ATOM 0 HG13 VAL A 132 9.411 -1.336 0.774 1.00 25.01 H new ATOM 0 HG21 VAL A 132 7.443 0.077 2.685 1.00 53.00 H new ATOM 0 HG22 VAL A 132 9.020 -0.567 3.199 1.00 53.00 H new ATOM 0 HG23 VAL A 132 8.619 1.142 3.492 1.00 53.00 H new ATOM 1183 N ASP A 133 10.892 2.099 3.732 1.00 3.32 N ATOM 1184 CA ASP A 133 11.052 3.229 4.640 1.00 44.52 C ATOM 1185 C ASP A 133 12.404 3.906 4.432 1.00 54.32 C ATOM 1186 O ASP A 133 12.472 5.093 4.111 1.00 51.03 O ATOM 1187 CB ASP A 133 10.917 2.768 6.092 1.00 64.02 C ATOM 1188 CG ASP A 133 9.553 3.081 6.674 1.00 3.24 C ATOM 1189 OD1 ASP A 133 9.293 4.266 6.974 1.00 25.41 O ATOM 1190 OD2 ASP A 133 8.745 2.142 6.830 1.00 41.23 O ATOM 0 H ASP A 133 10.901 1.187 4.188 1.00 3.32 H new ATOM 0 HA ASP A 133 10.266 3.952 4.422 1.00 44.52 H new ATOM 0 HB2 ASP A 133 11.095 1.694 6.147 1.00 64.02 H new ATOM 0 HB3 ASP A 133 11.686 3.250 6.696 1.00 64.02 H new ATOM 1195 N TYR A 134 13.476 3.145 4.618 1.00 72.32 N ATOM 1196 CA TYR A 134 14.825 3.672 4.454 1.00 24.41 C ATOM 1197 C TYR A 134 14.945 4.470 3.160 1.00 41.14 C ATOM 1198 O TYR A 134 15.607 5.508 3.115 1.00 33.22 O ATOM 1199 CB TYR A 134 15.845 2.531 4.459 1.00 11.31 C ATOM 1200 CG TYR A 134 17.253 2.977 4.137 1.00 63.22 C ATOM 1201 CD1 TYR A 134 17.600 3.378 2.852 1.00 33.35 C ATOM 1202 CD2 TYR A 134 18.238 2.998 5.117 1.00 33.44 C ATOM 1203 CE1 TYR A 134 18.886 3.785 2.554 1.00 75.34 C ATOM 1204 CE2 TYR A 134 19.526 3.405 4.828 1.00 72.51 C ATOM 1205 CZ TYR A 134 19.845 3.797 3.545 1.00 72.44 C ATOM 1206 OH TYR A 134 21.126 4.203 3.251 1.00 25.32 O ATOM 0 H TYR A 134 13.437 2.161 4.883 1.00 72.32 H new ATOM 0 HA TYR A 134 15.031 4.339 5.291 1.00 24.41 H new ATOM 0 HB2 TYR A 134 15.839 2.054 5.439 1.00 11.31 H new ATOM 0 HB3 TYR A 134 15.537 1.776 3.735 1.00 11.31 H new ATOM 0 HD1 TYR A 134 16.852 3.371 2.073 1.00 33.35 H new ATOM 0 HD2 TYR A 134 17.992 2.691 6.123 1.00 33.44 H new ATOM 0 HE1 TYR A 134 19.139 4.092 1.550 1.00 75.34 H new ATOM 0 HE2 TYR A 134 20.279 3.416 5.602 1.00 72.51 H new ATOM 0 HH TYR A 134 21.678 4.154 4.059 1.00 25.32 H new ATOM 1216 N HIS A 135 14.299 3.979 2.107 1.00 63.52 N ATOM 1217 CA HIS A 135 14.331 4.646 0.810 1.00 23.22 C ATOM 1218 C HIS A 135 13.339 5.804 0.771 1.00 43.41 C ATOM 1219 O HIS A 135 13.496 6.742 -0.011 1.00 5.42 O ATOM 1220 CB HIS A 135 14.016 3.651 -0.307 1.00 32.20 C ATOM 1221 CG HIS A 135 15.235 3.104 -0.983 1.00 71.55 C ATOM 1222 ND1 HIS A 135 16.414 3.810 -1.096 1.00 70.51 N ATOM 1223 CD2 HIS A 135 15.454 1.910 -1.583 1.00 51.02 C ATOM 1224 CE1 HIS A 135 17.305 3.075 -1.737 1.00 70.34 C ATOM 1225 NE2 HIS A 135 16.748 1.917 -2.044 1.00 14.04 N ATOM 0 H HIS A 135 13.747 3.122 2.126 1.00 63.52 H new ATOM 0 HA HIS A 135 15.334 5.044 0.658 1.00 23.22 H new ATOM 0 HB2 HIS A 135 13.438 2.824 0.106 1.00 32.20 H new ATOM 0 HB3 HIS A 135 13.387 4.140 -1.051 1.00 32.20 H new ATOM 0 HD2 HIS A 135 14.744 1.102 -1.681 1.00 51.02 H new ATOM 0 HE1 HIS A 135 18.317 3.371 -1.971 1.00 70.34 H new ATOM 0 HE2 HIS A 135 17.204 1.153 -2.542 1.00 14.04 H new ATOM 1233 N ARG A 136 12.318 5.732 1.618 1.00 20.32 N ATOM 1234 CA ARG A 136 11.300 6.773 1.678 1.00 13.25 C ATOM 1235 C ARG A 136 11.875 8.063 2.256 1.00 12.13 C ATOM 1236 O ARG A 136 11.444 9.160 1.901 1.00 3.21 O ATOM 1237 CB ARG A 136 10.113 6.308 2.524 1.00 30.41 C ATOM 1238 CG ARG A 136 9.103 7.406 2.813 1.00 32.12 C ATOM 1239 CD ARG A 136 8.892 7.590 4.308 1.00 61.41 C ATOM 1240 NE ARG A 136 8.723 8.995 4.668 1.00 34.32 N ATOM 1241 CZ ARG A 136 8.653 9.429 5.922 1.00 63.23 C ATOM 1242 NH1 ARG A 136 8.739 8.571 6.929 1.00 11.44 N ATOM 1243 NH2 ARG A 136 8.498 10.723 6.169 1.00 4.22 N ATOM 0 H ARG A 136 12.174 4.963 2.273 1.00 20.32 H new ATOM 0 HA ARG A 136 10.958 6.970 0.662 1.00 13.25 H new ATOM 0 HB2 ARG A 136 9.610 5.489 2.009 1.00 30.41 H new ATOM 0 HB3 ARG A 136 10.485 5.910 3.468 1.00 30.41 H new ATOM 0 HG2 ARG A 136 9.447 8.343 2.375 1.00 32.12 H new ATOM 0 HG3 ARG A 136 8.153 7.162 2.338 1.00 32.12 H new ATOM 0 HD2 ARG A 136 8.013 7.027 4.622 1.00 61.41 H new ATOM 0 HD3 ARG A 136 9.744 7.177 4.848 1.00 61.41 H new ATOM 0 HE ARG A 136 8.655 9.681 3.916 1.00 34.32 H new ATOM 0 HH11 ARG A 136 8.859 7.576 6.742 1.00 11.44 H new ATOM 0 HH12 ARG A 136 8.685 8.906 7.891 1.00 11.44 H new ATOM 0 HH21 ARG A 136 8.432 11.385 5.396 1.00 4.22 H new ATOM 0 HH22 ARG A 136 8.444 11.056 7.132 1.00 4.22 H new ATOM 1257 N SER A 137 12.849 7.923 3.149 1.00 24.41 N ATOM 1258 CA SER A 137 13.481 9.076 3.780 1.00 74.04 C ATOM 1259 C SER A 137 14.770 9.452 3.056 1.00 2.45 C ATOM 1260 O SER A 137 15.177 10.615 3.051 1.00 24.44 O ATOM 1261 CB SER A 137 13.775 8.781 5.252 1.00 43.43 C ATOM 1262 OG SER A 137 13.867 9.979 6.003 1.00 11.41 O ATOM 0 H SER A 137 13.218 7.022 3.452 1.00 24.41 H new ATOM 0 HA SER A 137 12.791 9.918 3.717 1.00 74.04 H new ATOM 0 HB2 SER A 137 12.988 8.149 5.664 1.00 43.43 H new ATOM 0 HB3 SER A 137 14.708 8.223 5.335 1.00 43.43 H new ATOM 0 HG SER A 137 14.054 9.764 6.941 1.00 11.41 H new ATOM 1268 N THR A 138 15.410 8.460 2.446 1.00 61.15 N ATOM 1269 CA THR A 138 16.654 8.685 1.720 1.00 71.41 C ATOM 1270 C THR A 138 16.503 8.328 0.246 1.00 74.53 C ATOM 1271 O THR A 138 15.814 7.369 -0.103 1.00 54.01 O ATOM 1272 CB THR A 138 17.810 7.863 2.320 1.00 64.45 C ATOM 1273 OG1 THR A 138 18.053 8.271 3.670 1.00 34.25 O ATOM 1274 CG2 THR A 138 19.079 8.034 1.497 1.00 31.45 C ATOM 0 H THR A 138 15.087 7.492 2.440 1.00 61.15 H new ATOM 0 HA THR A 138 16.886 9.746 1.812 1.00 71.41 H new ATOM 0 HB THR A 138 17.524 6.811 2.305 1.00 64.45 H new ATOM 0 HG1 THR A 138 18.788 7.742 4.044 1.00 34.25 H new ATOM 0 HG21 THR A 138 19.882 7.444 1.940 1.00 31.45 H new ATOM 0 HG22 THR A 138 18.900 7.695 0.477 1.00 31.45 H new ATOM 0 HG23 THR A 138 19.366 9.086 1.484 1.00 31.45 H new ATOM 1282 N SER A 139 17.151 9.104 -0.616 1.00 45.11 N ATOM 1283 CA SER A 139 17.086 8.871 -2.054 1.00 43.11 C ATOM 1284 C SER A 139 17.158 7.379 -2.367 1.00 3.45 C ATOM 1285 O SER A 139 17.613 6.583 -1.546 1.00 32.45 O ATOM 1286 CB SER A 139 18.224 9.608 -2.764 1.00 21.24 C ATOM 1287 OG SER A 139 19.487 9.135 -2.328 1.00 42.43 O ATOM 0 H SER A 139 17.728 9.900 -0.344 1.00 45.11 H new ATOM 0 HA SER A 139 16.132 9.255 -2.416 1.00 43.11 H new ATOM 0 HB2 SER A 139 18.133 9.472 -3.842 1.00 21.24 H new ATOM 0 HB3 SER A 139 18.146 10.678 -2.570 1.00 21.24 H new ATOM 0 HG SER A 139 20.198 9.620 -2.797 1.00 42.43 H new ATOM 1293 N VAL A 140 16.706 7.009 -3.560 1.00 61.23 N ATOM 1294 CA VAL A 140 16.720 5.614 -3.983 1.00 75.44 C ATOM 1295 C VAL A 140 17.133 5.487 -5.445 1.00 62.42 C ATOM 1296 O VAL A 140 17.811 4.533 -5.829 1.00 34.02 O ATOM 1297 CB VAL A 140 15.340 4.956 -3.793 1.00 32.02 C ATOM 1298 CG1 VAL A 140 14.263 5.758 -4.507 1.00 73.35 C ATOM 1299 CG2 VAL A 140 15.363 3.518 -4.288 1.00 75.21 C ATOM 0 H VAL A 140 16.325 7.656 -4.251 1.00 61.23 H new ATOM 0 HA VAL A 140 17.449 5.101 -3.356 1.00 75.44 H new ATOM 0 HB VAL A 140 15.105 4.946 -2.729 1.00 32.02 H new ATOM 0 HG11 VAL A 140 13.295 5.278 -4.362 1.00 73.35 H new ATOM 0 HG12 VAL A 140 14.232 6.769 -4.100 1.00 73.35 H new ATOM 0 HG13 VAL A 140 14.489 5.803 -5.572 1.00 73.35 H new ATOM 0 HG21 VAL A 140 14.380 3.069 -4.146 1.00 75.21 H new ATOM 0 HG22 VAL A 140 15.620 3.502 -5.347 1.00 75.21 H new ATOM 0 HG23 VAL A 140 16.105 2.952 -3.726 1.00 75.21 H new ATOM 1309 N SER A 141 16.722 6.455 -6.257 1.00 75.03 N ATOM 1310 CA SER A 141 17.047 6.450 -7.679 1.00 15.21 C ATOM 1311 C SER A 141 18.422 7.063 -7.924 1.00 24.44 C ATOM 1312 O SER A 141 18.761 8.102 -7.358 1.00 14.41 O ATOM 1313 CB SER A 141 15.986 7.219 -8.469 1.00 13.23 C ATOM 1314 OG SER A 141 15.539 6.470 -9.585 1.00 53.15 O ATOM 0 H SER A 141 16.163 7.253 -5.955 1.00 75.03 H new ATOM 0 HA SER A 141 17.064 5.414 -8.019 1.00 15.21 H new ATOM 0 HB2 SER A 141 15.141 7.450 -7.820 1.00 13.23 H new ATOM 0 HB3 SER A 141 16.398 8.170 -8.807 1.00 13.23 H new ATOM 0 HG SER A 141 14.569 6.344 -9.527 1.00 53.15 H new ATOM 1320 N ARG A 142 19.211 6.410 -8.771 1.00 24.45 N ATOM 1321 CA ARG A 142 20.551 6.888 -9.090 1.00 61.00 C ATOM 1322 C ARG A 142 20.522 7.820 -10.298 1.00 12.23 C ATOM 1323 O ARG A 142 21.463 7.856 -11.089 1.00 50.40 O ATOM 1324 CB ARG A 142 21.485 5.708 -9.366 1.00 32.03 C ATOM 1325 CG ARG A 142 21.441 4.633 -8.292 1.00 3.11 C ATOM 1326 CD ARG A 142 22.768 3.898 -8.185 1.00 4.50 C ATOM 1327 NE ARG A 142 23.249 3.835 -6.807 1.00 62.34 N ATOM 1328 CZ ARG A 142 23.940 4.808 -6.224 1.00 51.13 C ATOM 1329 NH1 ARG A 142 24.229 5.914 -6.896 1.00 13.45 N ATOM 1330 NH2 ARG A 142 24.343 4.676 -4.967 1.00 12.10 N ATOM 0 H ARG A 142 18.946 5.549 -9.249 1.00 24.45 H new ATOM 0 HA ARG A 142 20.925 7.445 -8.231 1.00 61.00 H new ATOM 0 HB2 ARG A 142 21.221 5.263 -10.325 1.00 32.03 H new ATOM 0 HB3 ARG A 142 22.506 6.077 -9.457 1.00 32.03 H new ATOM 0 HG2 ARG A 142 21.197 5.087 -7.331 1.00 3.11 H new ATOM 0 HG3 ARG A 142 20.647 3.922 -8.520 1.00 3.11 H new ATOM 0 HD2 ARG A 142 22.655 2.887 -8.576 1.00 4.50 H new ATOM 0 HD3 ARG A 142 23.511 4.399 -8.806 1.00 4.50 H new ATOM 0 HE ARG A 142 23.043 2.998 -6.263 1.00 62.34 H new ATOM 0 HH11 ARG A 142 23.921 6.019 -7.863 1.00 13.45 H new ATOM 0 HH12 ARG A 142 24.760 6.660 -6.446 1.00 13.45 H new ATOM 0 HH21 ARG A 142 24.122 3.827 -4.447 1.00 12.10 H new ATOM 0 HH22 ARG A 142 24.874 5.424 -4.520 1.00 12.10 H new ATOM 1344 N ASN A 143 19.434 8.572 -10.432 1.00 41.11 N ATOM 1345 CA ASN A 143 19.282 9.504 -11.544 1.00 34.22 C ATOM 1346 C ASN A 143 18.867 10.884 -11.044 1.00 14.13 C ATOM 1347 O ASN A 143 19.523 11.883 -11.335 1.00 41.34 O ATOM 1348 CB ASN A 143 18.246 8.977 -12.539 1.00 41.14 C ATOM 1349 CG ASN A 143 18.883 8.226 -13.693 1.00 13.11 C ATOM 1350 OD1 ASN A 143 18.732 7.010 -13.815 1.00 53.55 O ATOM 1351 ND2 ASN A 143 19.600 8.949 -14.545 1.00 53.04 N ATOM 0 H ASN A 143 18.645 8.554 -9.785 1.00 41.11 H new ATOM 0 HA ASN A 143 20.246 9.594 -12.045 1.00 34.22 H new ATOM 0 HB2 ASN A 143 17.550 8.318 -12.020 1.00 41.14 H new ATOM 0 HB3 ASN A 143 17.664 9.812 -12.929 1.00 41.14 H new ATOM 0 HD21 ASN A 143 20.053 8.499 -15.340 1.00 53.04 H new ATOM 0 HD22 ASN A 143 19.698 9.954 -14.404 1.00 53.04 H new ATOM 1358 N GLN A 144 17.773 10.930 -10.289 1.00 45.11 N ATOM 1359 CA GLN A 144 17.271 12.188 -9.749 1.00 22.23 C ATOM 1360 C GLN A 144 17.053 12.085 -8.243 1.00 31.32 C ATOM 1361 O GLN A 144 17.324 11.048 -7.637 1.00 41.31 O ATOM 1362 CB GLN A 144 15.964 12.578 -10.440 1.00 52.40 C ATOM 1363 CG GLN A 144 15.984 13.978 -11.034 1.00 61.50 C ATOM 1364 CD GLN A 144 14.649 14.684 -10.908 1.00 10.51 C ATOM 1365 OE1 GLN A 144 13.897 14.792 -11.877 1.00 15.14 O ATOM 1366 NE2 GLN A 144 14.347 15.171 -9.710 1.00 3.12 N ATOM 0 H GLN A 144 17.218 10.112 -10.038 1.00 45.11 H new ATOM 0 HA GLN A 144 18.018 12.959 -9.938 1.00 22.23 H new ATOM 0 HB2 GLN A 144 15.753 11.859 -11.232 1.00 52.40 H new ATOM 0 HB3 GLN A 144 15.148 12.509 -9.721 1.00 52.40 H new ATOM 0 HG2 GLN A 144 16.752 14.569 -10.535 1.00 61.50 H new ATOM 0 HG3 GLN A 144 16.261 13.918 -12.086 1.00 61.50 H new ATOM 0 HE21 GLN A 144 15.000 15.059 -8.934 1.00 3.12 H new ATOM 0 HE22 GLN A 144 13.462 15.657 -9.565 1.00 3.12 H new ATOM 1375 N GLN A 145 16.562 13.166 -7.646 1.00 32.34 N ATOM 1376 CA GLN A 145 16.308 13.196 -6.210 1.00 44.20 C ATOM 1377 C GLN A 145 14.824 13.008 -5.915 1.00 70.31 C ATOM 1378 O GLN A 145 14.088 13.979 -5.740 1.00 50.32 O ATOM 1379 CB GLN A 145 16.795 14.518 -5.613 1.00 24.52 C ATOM 1380 CG GLN A 145 16.032 15.731 -6.118 1.00 45.40 C ATOM 1381 CD GLN A 145 16.870 16.995 -6.103 1.00 61.11 C ATOM 1382 OE1 GLN A 145 17.815 17.118 -5.323 1.00 61.24 O ATOM 1383 NE2 GLN A 145 16.527 17.943 -6.967 1.00 63.04 N ATOM 0 H GLN A 145 16.332 14.032 -8.134 1.00 32.34 H new ATOM 0 HA GLN A 145 16.857 12.373 -5.752 1.00 44.20 H new ATOM 0 HB2 GLN A 145 16.708 14.471 -4.527 1.00 24.52 H new ATOM 0 HB3 GLN A 145 17.853 14.643 -5.843 1.00 24.52 H new ATOM 0 HG2 GLN A 145 15.686 15.541 -7.134 1.00 45.40 H new ATOM 0 HG3 GLN A 145 15.145 15.880 -5.502 1.00 45.40 H new ATOM 0 HE21 GLN A 145 15.737 17.799 -7.595 1.00 63.04 H new ATOM 0 HE22 GLN A 145 17.054 18.816 -7.003 1.00 63.04 H new ATOM 1392 N ILE A 146 14.391 11.753 -5.862 1.00 22.41 N ATOM 1393 CA ILE A 146 12.995 11.438 -5.587 1.00 73.45 C ATOM 1394 C ILE A 146 12.874 10.389 -4.487 1.00 13.44 C ATOM 1395 O ILE A 146 13.788 9.594 -4.268 1.00 50.24 O ATOM 1396 CB ILE A 146 12.275 10.926 -6.849 1.00 55.31 C ATOM 1397 CG1 ILE A 146 12.388 11.952 -7.979 1.00 12.14 C ATOM 1398 CG2 ILE A 146 10.815 10.628 -6.541 1.00 53.15 C ATOM 1399 CD1 ILE A 146 12.106 11.376 -9.349 1.00 24.13 C ATOM 0 H ILE A 146 14.987 10.938 -6.006 1.00 22.41 H new ATOM 0 HA ILE A 146 12.522 12.363 -5.257 1.00 73.45 H new ATOM 0 HB ILE A 146 12.754 10.002 -7.173 1.00 55.31 H new ATOM 0 HG12 ILE A 146 11.693 12.769 -7.787 1.00 12.14 H new ATOM 0 HG13 ILE A 146 13.391 12.378 -7.973 1.00 12.14 H new ATOM 0 HG21 ILE A 146 10.319 10.267 -7.442 1.00 53.15 H new ATOM 0 HG22 ILE A 146 10.755 9.866 -5.764 1.00 53.15 H new ATOM 0 HG23 ILE A 146 10.323 11.537 -6.196 1.00 53.15 H new ATOM 0 HD11 ILE A 146 12.204 12.159 -10.100 1.00 24.13 H new ATOM 0 HD12 ILE A 146 12.817 10.578 -9.562 1.00 24.13 H new ATOM 0 HD13 ILE A 146 11.093 10.975 -9.374 1.00 24.13 H new ATOM 1411 N PHE A 147 11.738 10.393 -3.796 1.00 62.22 N ATOM 1412 CA PHE A 147 11.496 9.441 -2.718 1.00 3.42 C ATOM 1413 C PHE A 147 10.361 8.488 -3.078 1.00 70.23 C ATOM 1414 O PHE A 147 9.813 8.545 -4.180 1.00 31.11 O ATOM 1415 CB PHE A 147 11.163 10.182 -1.421 1.00 61.00 C ATOM 1416 CG PHE A 147 12.284 11.046 -0.919 1.00 43.21 C ATOM 1417 CD1 PHE A 147 13.588 10.578 -0.913 1.00 43.04 C ATOM 1418 CD2 PHE A 147 12.034 12.327 -0.453 1.00 21.34 C ATOM 1419 CE1 PHE A 147 14.623 11.371 -0.453 1.00 34.14 C ATOM 1420 CE2 PHE A 147 13.064 13.124 0.009 1.00 42.10 C ATOM 1421 CZ PHE A 147 14.360 12.645 0.010 1.00 12.32 C ATOM 0 H PHE A 147 10.971 11.045 -3.963 1.00 62.22 H new ATOM 0 HA PHE A 147 12.404 8.856 -2.572 1.00 3.42 H new ATOM 0 HB2 PHE A 147 10.281 10.802 -1.583 1.00 61.00 H new ATOM 0 HB3 PHE A 147 10.904 9.454 -0.652 1.00 61.00 H new ATOM 0 HD1 PHE A 147 13.799 9.581 -1.272 1.00 43.04 H new ATOM 0 HD2 PHE A 147 11.023 12.707 -0.451 1.00 21.34 H new ATOM 0 HE1 PHE A 147 15.635 10.995 -0.456 1.00 34.14 H new ATOM 0 HE2 PHE A 147 12.856 14.121 0.369 1.00 42.10 H new ATOM 0 HZ PHE A 147 15.166 13.266 0.372 1.00 12.32 H new ATOM 1431 N LEU A 148 10.013 7.611 -2.143 1.00 3.24 N ATOM 1432 CA LEU A 148 8.943 6.644 -2.360 1.00 65.34 C ATOM 1433 C LEU A 148 7.598 7.212 -1.921 1.00 32.30 C ATOM 1434 O LEU A 148 7.340 7.371 -0.728 1.00 32.32 O ATOM 1435 CB LEU A 148 9.237 5.350 -1.599 1.00 73.42 C ATOM 1436 CG LEU A 148 10.653 4.792 -1.744 1.00 70.33 C ATOM 1437 CD1 LEU A 148 10.704 3.341 -1.290 1.00 44.22 C ATOM 1438 CD2 LEU A 148 11.132 4.919 -3.183 1.00 54.42 C ATOM 0 H LEU A 148 10.457 7.550 -1.227 1.00 3.24 H new ATOM 0 HA LEU A 148 8.893 6.427 -3.427 1.00 65.34 H new ATOM 0 HB2 LEU A 148 9.043 5.523 -0.540 1.00 73.42 H new ATOM 0 HB3 LEU A 148 8.532 4.588 -1.932 1.00 73.42 H new ATOM 0 HG LEU A 148 11.319 5.375 -1.108 1.00 70.33 H new ATOM 0 HD11 LEU A 148 11.720 2.961 -1.400 1.00 44.22 H new ATOM 0 HD12 LEU A 148 10.404 3.276 -0.244 1.00 44.22 H new ATOM 0 HD13 LEU A 148 10.025 2.745 -1.900 1.00 44.22 H new ATOM 0 HD21 LEU A 148 12.142 4.517 -3.267 1.00 54.42 H new ATOM 0 HD22 LEU A 148 10.464 4.362 -3.839 1.00 54.42 H new ATOM 0 HD23 LEU A 148 11.134 5.969 -3.474 1.00 54.42 H new ATOM 1450 N ARG A 149 6.743 7.514 -2.893 1.00 21.21 N ATOM 1451 CA ARG A 149 5.423 8.063 -2.606 1.00 44.13 C ATOM 1452 C ARG A 149 4.446 6.957 -2.221 1.00 20.44 C ATOM 1453 O ARG A 149 4.341 5.940 -2.908 1.00 13.44 O ATOM 1454 CB ARG A 149 4.891 8.828 -3.820 1.00 24.04 C ATOM 1455 CG ARG A 149 4.832 10.333 -3.613 1.00 21.40 C ATOM 1456 CD ARG A 149 6.079 10.848 -2.912 1.00 42.31 C ATOM 1457 NE ARG A 149 6.314 12.264 -3.184 1.00 63.32 N ATOM 1458 CZ ARG A 149 7.472 12.874 -2.956 1.00 62.51 C ATOM 1459 NH1 ARG A 149 8.495 12.195 -2.455 1.00 1.01 N ATOM 1460 NH2 ARG A 149 7.609 14.165 -3.230 1.00 33.31 N ATOM 0 H ARG A 149 6.941 7.388 -3.886 1.00 21.21 H new ATOM 0 HA ARG A 149 5.518 8.749 -1.765 1.00 44.13 H new ATOM 0 HB2 ARG A 149 5.524 8.613 -4.681 1.00 24.04 H new ATOM 0 HB3 ARG A 149 3.892 8.463 -4.060 1.00 24.04 H new ATOM 0 HG2 ARG A 149 4.724 10.830 -4.577 1.00 21.40 H new ATOM 0 HG3 ARG A 149 3.951 10.586 -3.023 1.00 21.40 H new ATOM 0 HD2 ARG A 149 5.979 10.697 -1.837 1.00 42.31 H new ATOM 0 HD3 ARG A 149 6.943 10.268 -3.237 1.00 42.31 H new ATOM 0 HE ARG A 149 5.547 12.814 -3.570 1.00 63.32 H new ATOM 0 HH11 ARG A 149 8.394 11.202 -2.244 1.00 1.01 H new ATOM 0 HH12 ARG A 149 9.383 12.665 -2.281 1.00 1.01 H new ATOM 0 HH21 ARG A 149 6.825 14.690 -3.616 1.00 33.31 H new ATOM 0 HH22 ARG A 149 8.499 14.632 -3.054 1.00 33.31 H new ATOM 1474 N ASP A 150 3.734 7.161 -1.118 1.00 2.22 N ATOM 1475 CA ASP A 150 2.765 6.182 -0.641 1.00 21.54 C ATOM 1476 C ASP A 150 1.677 5.942 -1.682 1.00 71.45 C ATOM 1477 O ASP A 150 0.810 6.790 -1.895 1.00 34.42 O ATOM 1478 CB ASP A 150 2.137 6.652 0.672 1.00 33.22 C ATOM 1479 CG ASP A 150 1.584 5.504 1.493 1.00 35.32 C ATOM 1480 OD1 ASP A 150 0.645 4.833 1.017 1.00 74.42 O ATOM 1481 OD2 ASP A 150 2.089 5.277 2.613 1.00 70.33 O ATOM 0 H ASP A 150 3.810 7.996 -0.537 1.00 2.22 H new ATOM 0 HA ASP A 150 3.290 5.243 -0.468 1.00 21.54 H new ATOM 0 HB2 ASP A 150 2.885 7.187 1.258 1.00 33.22 H new ATOM 0 HB3 ASP A 150 1.336 7.359 0.456 1.00 33.22 H new ATOM 1486 N ILE A 151 1.730 4.782 -2.330 1.00 10.43 N ATOM 1487 CA ILE A 151 0.749 4.432 -3.349 1.00 70.31 C ATOM 1488 C ILE A 151 -0.621 4.177 -2.729 1.00 62.13 C ATOM 1489 O ILE A 151 -0.722 3.743 -1.582 1.00 55.33 O ATOM 1490 CB ILE A 151 1.182 3.184 -4.141 1.00 73.31 C ATOM 1491 CG1 ILE A 151 0.421 3.105 -5.466 1.00 72.42 C ATOM 1492 CG2 ILE A 151 0.951 1.926 -3.316 1.00 4.51 C ATOM 1493 CD1 ILE A 151 0.484 1.742 -6.119 1.00 64.50 C ATOM 0 H ILE A 151 2.442 4.070 -2.167 1.00 10.43 H new ATOM 0 HA ILE A 151 0.684 5.281 -4.030 1.00 70.31 H new ATOM 0 HB ILE A 151 2.247 3.262 -4.359 1.00 73.31 H new ATOM 0 HG12 ILE A 151 -0.623 3.368 -5.292 1.00 72.42 H new ATOM 0 HG13 ILE A 151 0.827 3.847 -6.153 1.00 72.42 H new ATOM 0 HG21 ILE A 151 1.262 1.053 -3.889 1.00 4.51 H new ATOM 0 HG22 ILE A 151 1.533 1.982 -2.396 1.00 4.51 H new ATOM 0 HG23 ILE A 151 -0.108 1.841 -3.071 1.00 4.51 H new ATOM 0 HD11 ILE A 151 -0.077 1.760 -7.053 1.00 64.50 H new ATOM 0 HD12 ILE A 151 1.523 1.485 -6.325 1.00 64.50 H new ATOM 0 HD13 ILE A 151 0.051 0.998 -5.450 1.00 64.50 H new ATOM 1505 N GLU A 152 -1.672 4.448 -3.497 1.00 65.04 N ATOM 1506 CA GLU A 152 -3.036 4.247 -3.023 1.00 63.21 C ATOM 1507 C GLU A 152 -3.576 2.894 -3.477 1.00 64.33 C ATOM 1508 O GLU A 152 -3.913 2.710 -4.646 1.00 51.04 O ATOM 1509 CB GLU A 152 -3.946 5.368 -3.530 1.00 21.42 C ATOM 1510 CG GLU A 152 -3.575 6.741 -2.996 1.00 41.03 C ATOM 1511 CD GLU A 152 -4.665 7.770 -3.226 1.00 43.11 C ATOM 1512 OE1 GLU A 152 -5.570 7.875 -2.373 1.00 35.34 O ATOM 1513 OE2 GLU A 152 -4.612 8.470 -4.259 1.00 13.13 O ATOM 0 H GLU A 152 -1.605 4.807 -4.449 1.00 65.04 H new ATOM 0 HA GLU A 152 -3.021 4.266 -1.933 1.00 63.21 H new ATOM 0 HB2 GLU A 152 -3.910 5.389 -4.619 1.00 21.42 H new ATOM 0 HB3 GLU A 152 -4.975 5.144 -3.249 1.00 21.42 H new ATOM 0 HG2 GLU A 152 -3.369 6.668 -1.928 1.00 41.03 H new ATOM 0 HG3 GLU A 152 -2.656 7.077 -3.476 1.00 41.03 H new ATOM 1520 N GLN A 153 -3.653 1.951 -2.544 1.00 31.31 N ATOM 1521 CA GLN A 153 -4.150 0.614 -2.848 1.00 55.34 C ATOM 1522 C GLN A 153 -5.640 0.649 -3.174 1.00 31.23 C ATOM 1523 O GLN A 153 -6.368 1.524 -2.706 1.00 12.33 O ATOM 1524 CB GLN A 153 -3.895 -0.328 -1.671 1.00 72.41 C ATOM 1525 CG GLN A 153 -3.440 -1.717 -2.091 1.00 15.10 C ATOM 1526 CD GLN A 153 -4.114 -2.817 -1.295 1.00 21.23 C ATOM 1527 OE1 GLN A 153 -4.200 -2.748 -0.068 1.00 54.14 O ATOM 1528 NE2 GLN A 153 -4.596 -3.841 -1.990 1.00 21.04 N ATOM 0 H GLN A 153 -3.378 2.088 -1.571 1.00 31.31 H new ATOM 0 HA GLN A 153 -3.614 0.244 -3.722 1.00 55.34 H new ATOM 0 HB2 GLN A 153 -3.138 0.112 -1.021 1.00 72.41 H new ATOM 0 HB3 GLN A 153 -4.808 -0.416 -1.083 1.00 72.41 H new ATOM 0 HG2 GLN A 153 -3.651 -1.859 -3.151 1.00 15.10 H new ATOM 0 HG3 GLN A 153 -2.360 -1.794 -1.968 1.00 15.10 H new ATOM 0 HE21 GLN A 153 -4.503 -3.857 -3.006 1.00 21.04 H new ATOM 0 HE22 GLN A 153 -5.059 -4.611 -1.508 1.00 21.04 H new ATOM 1537 N VAL A 154 -6.087 -0.309 -3.979 1.00 74.42 N ATOM 1538 CA VAL A 154 -7.491 -0.389 -4.367 1.00 23.12 C ATOM 1539 C VAL A 154 -8.400 0.083 -3.238 1.00 32.30 C ATOM 1540 O VAL A 154 -8.320 -0.390 -2.104 1.00 74.31 O ATOM 1541 CB VAL A 154 -7.883 -1.825 -4.761 1.00 72.35 C ATOM 1542 CG1 VAL A 154 -7.367 -2.821 -3.734 1.00 71.43 C ATOM 1543 CG2 VAL A 154 -9.392 -1.941 -4.917 1.00 60.03 C ATOM 0 H VAL A 154 -5.498 -1.041 -4.376 1.00 74.42 H new ATOM 0 HA VAL A 154 -7.619 0.264 -5.230 1.00 23.12 H new ATOM 0 HB VAL A 154 -7.422 -2.058 -5.721 1.00 72.35 H new ATOM 0 HG11 VAL A 154 -7.654 -3.830 -4.030 1.00 71.43 H new ATOM 0 HG12 VAL A 154 -6.281 -2.755 -3.677 1.00 71.43 H new ATOM 0 HG13 VAL A 154 -7.796 -2.593 -2.758 1.00 71.43 H new ATOM 0 HG21 VAL A 154 -9.652 -2.962 -5.196 1.00 60.03 H new ATOM 0 HG22 VAL A 154 -9.876 -1.688 -3.974 1.00 60.03 H new ATOM 0 HG23 VAL A 154 -9.731 -1.256 -5.694 1.00 60.03 H new ATOM 1553 N PRO A 155 -9.287 1.038 -3.553 1.00 75.11 N ATOM 1554 CA PRO A 155 -10.231 1.594 -2.579 1.00 0.50 C ATOM 1555 C PRO A 155 -11.306 0.592 -2.175 1.00 74.33 C ATOM 1556 O PRO A 155 -11.633 -0.320 -2.934 1.00 62.33 O ATOM 1557 CB PRO A 155 -10.855 2.777 -3.325 1.00 20.41 C ATOM 1558 CG PRO A 155 -10.718 2.430 -4.767 1.00 65.41 C ATOM 1559 CD PRO A 155 -9.438 1.648 -4.885 1.00 34.11 C ATOM 0 HA PRO A 155 -9.738 1.872 -1.647 1.00 0.50 H new ATOM 0 HB2 PRO A 155 -11.900 2.913 -3.048 1.00 20.41 H new ATOM 0 HB3 PRO A 155 -10.340 3.709 -3.091 1.00 20.41 H new ATOM 0 HG2 PRO A 155 -11.569 1.840 -5.109 1.00 65.41 H new ATOM 0 HG3 PRO A 155 -10.685 3.329 -5.383 1.00 65.41 H new ATOM 0 HD2 PRO A 155 -9.499 0.893 -5.668 1.00 34.11 H new ATOM 0 HD3 PRO A 155 -8.594 2.293 -5.130 1.00 34.11 H new ATOM 1567 N GLN A 156 -11.853 0.768 -0.977 1.00 31.43 N ATOM 1568 CA GLN A 156 -12.892 -0.123 -0.473 1.00 70.13 C ATOM 1569 C GLN A 156 -13.602 0.493 0.728 1.00 71.32 C ATOM 1570 O GLN A 156 -13.264 0.204 1.875 1.00 21.51 O ATOM 1571 CB GLN A 156 -12.291 -1.475 -0.087 1.00 24.51 C ATOM 1572 CG GLN A 156 -13.325 -2.578 0.075 1.00 51.45 C ATOM 1573 CD GLN A 156 -13.002 -3.807 -0.752 1.00 11.22 C ATOM 1574 OE1 GLN A 156 -12.866 -3.730 -1.973 1.00 43.31 O ATOM 1575 NE2 GLN A 156 -12.878 -4.950 -0.088 1.00 62.44 N ATOM 0 H GLN A 156 -11.594 1.519 -0.337 1.00 31.43 H new ATOM 0 HA GLN A 156 -13.624 -0.272 -1.267 1.00 70.13 H new ATOM 0 HB2 GLN A 156 -11.570 -1.773 -0.848 1.00 24.51 H new ATOM 0 HB3 GLN A 156 -11.740 -1.365 0.847 1.00 24.51 H new ATOM 0 HG2 GLN A 156 -13.389 -2.859 1.126 1.00 51.45 H new ATOM 0 HG3 GLN A 156 -14.305 -2.198 -0.214 1.00 51.45 H new ATOM 0 HE21 GLN A 156 -12.999 -4.967 0.925 1.00 62.44 H new ATOM 0 HE22 GLN A 156 -12.662 -5.811 -0.591 1.00 62.44 H new ATOM 1584 N GLN A 157 -14.587 1.343 0.455 1.00 62.41 N ATOM 1585 CA GLN A 157 -15.343 2.000 1.514 1.00 34.21 C ATOM 1586 C GLN A 157 -16.812 1.590 1.469 1.00 24.33 C ATOM 1587 O GLN A 157 -17.503 1.775 0.467 1.00 1.25 O ATOM 1588 CB GLN A 157 -15.222 3.520 1.389 1.00 71.51 C ATOM 1589 CG GLN A 157 -14.690 4.193 2.644 1.00 63.25 C ATOM 1590 CD GLN A 157 -14.764 5.705 2.570 1.00 5.23 C ATOM 1591 OE1 GLN A 157 -15.836 6.293 2.711 1.00 52.45 O ATOM 1592 NE2 GLN A 157 -13.620 6.344 2.350 1.00 74.01 N ATOM 0 H GLN A 157 -14.880 1.592 -0.490 1.00 62.41 H new ATOM 0 HA GLN A 157 -14.926 1.687 2.471 1.00 34.21 H new ATOM 0 HB2 GLN A 157 -14.564 3.756 0.553 1.00 71.51 H new ATOM 0 HB3 GLN A 157 -16.201 3.936 1.151 1.00 71.51 H new ATOM 0 HG2 GLN A 157 -15.259 3.847 3.507 1.00 63.25 H new ATOM 0 HG3 GLN A 157 -13.655 3.891 2.803 1.00 63.25 H new ATOM 0 HE21 GLN A 157 -12.754 5.816 2.239 1.00 74.01 H new ATOM 0 HE22 GLN A 157 -13.608 7.362 2.292 1.00 74.01 H new ATOM 1601 N PRO A 158 -17.301 1.018 2.580 1.00 70.04 N ATOM 1602 CA PRO A 158 -18.692 0.570 2.692 1.00 72.42 C ATOM 1603 C PRO A 158 -19.675 1.735 2.741 1.00 65.21 C ATOM 1604 O PRO A 158 -19.318 2.846 3.136 1.00 60.44 O ATOM 1605 CB PRO A 158 -18.711 -0.201 4.014 1.00 23.50 C ATOM 1606 CG PRO A 158 -17.592 0.380 4.808 1.00 52.44 C ATOM 1607 CD PRO A 158 -16.534 0.766 3.811 1.00 31.30 C ATOM 0 HA PRO A 158 -18.999 -0.024 1.831 1.00 72.42 H new ATOM 0 HB2 PRO A 158 -19.665 -0.082 4.528 1.00 23.50 H new ATOM 0 HB3 PRO A 158 -18.568 -1.269 3.851 1.00 23.50 H new ATOM 0 HG2 PRO A 158 -17.927 1.247 5.377 1.00 52.44 H new ATOM 0 HG3 PRO A 158 -17.206 -0.344 5.526 1.00 52.44 H new ATOM 0 HD2 PRO A 158 -15.985 1.652 4.131 1.00 31.30 H new ATOM 0 HD3 PRO A 158 -15.802 -0.030 3.673 1.00 31.30 H new ATOM 1615 N THR A 159 -20.915 1.475 2.338 1.00 45.02 N ATOM 1616 CA THR A 159 -21.948 2.502 2.335 1.00 14.22 C ATOM 1617 C THR A 159 -22.065 3.168 3.701 1.00 12.24 C ATOM 1618 O THR A 159 -21.394 2.740 4.639 1.00 43.01 O ATOM 1619 CB THR A 159 -23.319 1.919 1.942 1.00 22.02 C ATOM 1620 OG1 THR A 159 -24.277 2.973 1.798 1.00 1.40 O ATOM 1621 CG2 THR A 159 -23.804 0.926 2.987 1.00 21.52 C ATOM 0 H THR A 159 -21.228 0.561 2.009 1.00 45.02 H new ATOM 0 HA THR A 159 -21.652 3.246 1.595 1.00 14.22 H new ATOM 0 HB THR A 159 -23.208 1.397 0.991 1.00 22.02 H new ATOM 0 HG1 THR A 159 -25.145 2.594 1.546 1.00 1.40 H new ATOM 0 HG21 THR A 159 -24.774 0.528 2.688 1.00 21.52 H new ATOM 0 HG22 THR A 159 -23.087 0.109 3.073 1.00 21.52 H new ATOM 0 HG23 THR A 159 -23.899 1.428 3.950 1.00 21.52 H new TER 1629 THR A 159 HETATM 1630 CBR DTF A 174 21.837 -8.981 -8.742 1.00 53.32 C HETATM 1631 CAU DTF A 174 22.409 -7.725 -8.490 1.00 2.43 C HETATM 1632 CAL DTF A 174 23.001 -7.440 -7.266 1.00 20.23 C HETATM 1633 CAK DTF A 174 23.065 -8.413 -6.278 1.00 12.23 C HETATM 1634 CAS DTF A 174 22.517 -9.672 -6.486 1.00 12.12 C HETATM 1635 CBQ DTF A 174 21.886 -9.973 -7.697 1.00 42.40 C HETATM 1636 CAT DTF A 174 21.306 -11.221 -7.902 1.00 3.12 C HETATM 1637 CAM DTF A 174 20.700 -11.524 -9.113 1.00 45.42 C HETATM 1638 CAP DTF A 174 20.661 -10.585 -10.136 1.00 21.12 C HETATM 1639 CBP DTF A 174 21.213 -9.310 -9.972 1.00 42.12 C HETATM 1640 CBE DTF A 174 21.159 -8.363 -11.206 1.00 21.35 C HETATM 1641 CBT DTF A 174 20.278 -7.076 -11.042 1.00 14.14 C HETATM 1642 CAY DTF A 174 18.817 -7.392 -11.482 1.00 32.21 C HETATM 1643 CAI DTF A 174 17.820 -6.249 -11.519 1.00 74.00 C HETATM 1644 CAJ DTF A 174 16.877 -6.138 -12.462 1.00 2.51 C HETATM 1645 CBB DTF A 174 21.000 -5.843 -11.684 1.00 22.32 C HETATM 1646 NBG DTF A 174 20.480 -4.503 -11.309 1.00 14.53 N HETATM 1647 C DTF A 174 20.490 -4.010 -10.050 1.00 3.23 C HETATM 1648 O DTF A 174 21.043 -4.618 -9.128 1.00 14.51 O HETATM 1649 CA DTF A 174 19.817 -2.612 -9.763 1.00 51.53 C HETATM 1650 CB DTF A 174 19.274 -2.389 -8.320 1.00 31.23 C HETATM 1651 CG DTF A 174 18.288 -3.422 -7.757 1.00 42.21 C HETATM 1652 OD1 DTF A 174 17.093 -3.398 -8.024 1.00 74.30 O HETATM 1653 ND2 DTF A 174 18.748 -4.340 -6.948 1.00 54.43 N HETATM 1654 N DTF A 174 18.702 -2.205 -10.673 1.00 63.32 N HETATM 1655 CBM DTF A 174 18.755 -1.139 -11.495 1.00 23.35 C HETATM 1656 OAE DTF A 174 19.772 -0.436 -11.521 1.00 75.12 O HETATM 1657 CBV DTF A 174 17.469 -0.762 -12.374 1.00 4.12 C HETATM 1658 CAZ DTF A 174 17.884 0.095 -13.629 1.00 40.21 C HETATM 1659 CAW DTF A 174 16.759 0.866 -14.376 1.00 1.35 C HETATM 1660 CAV DTF A 174 15.815 1.638 -13.422 1.00 71.11 C HETATM 1661 CAX DTF A 174 15.332 0.809 -12.211 1.00 42.34 C HETATM 1662 CBA DTF A 174 16.523 0.121 -11.479 1.00 53.03 C HETATM 1663 NBI DTF A 174 16.591 -1.910 -12.787 1.00 14.12 N HETATM 1664 CBK DTF A 174 16.996 -3.009 -13.423 1.00 12.12 C HETATM 1665 OAC DTF A 174 18.150 -3.197 -13.801 1.00 51.41 O HETATM 1666 CBC DTF A 174 15.905 -4.065 -13.619 1.00 11.45 C HETATM 1667 CBS DTF A 174 15.759 -5.095 -12.458 1.00 1.31 C HETATM 1668 CBO DTF A 174 14.382 -5.818 -12.470 1.00 23.50 C HETATM 1669 CAR DTF A 174 13.581 -5.805 -11.319 1.00 21.33 C HETATM 1670 CAO DTF A 174 12.369 -6.491 -11.292 1.00 20.33 C HETATM 1671 CAQ DTF A 174 13.920 -6.506 -13.605 1.00 23.51 C HETATM 1672 CAN DTF A 174 12.712 -7.192 -13.576 1.00 12.32 C HETATM 1673 CBN DTF A 174 11.939 -7.202 -12.413 1.00 63.12 C HETATM 1674 CBF DTF A 174 10.656 -8.032 -12.359 1.00 33.43 C HETATM 1675 PBW DTF A 174 9.677 -7.963 -13.798 1.00 25.20 P HETATM 1676 OAG DTF A 174 10.413 -8.643 -14.970 1.00 62.30 O HETATM 1677 OAH DTF A 174 9.343 -6.512 -14.213 1.00 41.23 O HETATM 1678 OAF DTF A 174 8.311 -8.737 -13.542 1.00 23.11 O HETATM 0 HBT1 DTF A 174 20.167 -6.768 -10.002 1.00 14.14 H new HETATM 0 HBS1 DTF A 174 15.832 -4.506 -11.544 1.00 1.31 H new HETATM 0 HBF2 DTF A 174 10.921 -9.072 -12.167 1.00 33.43 H new HETATM 0 HBF1 DTF A 174 10.057 -7.694 -11.513 1.00 33.43 H new HETATM 0 HBE2 DTF A 174 22.176 -8.055 -11.449 1.00 21.35 H new HETATM 0 HBE1 DTF A 174 20.785 -8.930 -12.059 1.00 21.35 H new HETATM 0 HBC2 DTF A 174 14.950 -3.557 -13.754 1.00 11.45 H new HETATM 0 HBC1 DTF A 174 16.110 -4.609 -14.541 1.00 11.45 H new HETATM 0 HBB2 DTF A 174 22.055 -5.887 -11.415 1.00 22.32 H new HETATM 0 HBB1 DTF A 174 20.943 -5.940 -12.768 1.00 22.32 H new HETATM 0 HBA2 DTF A 174 16.121 -0.506 -10.683 1.00 53.03 H new HETATM 0 HBA1 DTF A 174 17.125 0.894 -11.002 1.00 53.03 H new HETATM 0 HAZ2 DTF A 174 18.633 0.820 -13.309 1.00 40.21 H new HETATM 0 HAZ1 DTF A 174 18.369 -0.569 -14.344 1.00 40.21 H new HETATM 0 HAY2 DTF A 174 18.856 -7.833 -12.478 1.00 32.21 H new HETATM 0 HAY1 DTF A 174 18.424 -8.156 -10.811 1.00 32.21 H new HETATM 0 HAX2 DTF A 174 14.800 1.457 -11.514 1.00 42.34 H new HETATM 0 HAX1 DTF A 174 14.623 0.052 -12.546 1.00 42.34 H new HETATM 0 HAW2 DTF A 174 17.211 1.568 -15.076 1.00 1.35 H new HETATM 0 HAW1 DTF A 174 16.173 0.161 -14.965 1.00 1.35 H new HETATM 0 HAV2 DTF A 174 16.330 2.527 -13.059 1.00 71.11 H new HETATM 0 HAV1 DTF A 174 14.947 1.980 -13.985 1.00 71.11 H new HETATM 0 HAU1 DTF A 174 22.389 -6.961 -9.267 1.00 2.43 H new HETATM 0 HAT1 DTF A 174 21.328 -11.966 -7.106 1.00 3.12 H new HETATM 0 HAS1 DTF A 174 22.579 -10.428 -5.703 1.00 12.12 H new HETATM 0 HAR1 DTF A 174 13.910 -5.253 -10.438 1.00 21.33 H new HETATM 0 HAQ1 DTF A 174 14.516 -6.501 -14.518 1.00 23.51 H new HETATM 0 HAP1 DTF A 174 20.191 -10.847 -11.084 1.00 21.12 H new HETATM 0 HAO1 DTF A 174 11.754 -6.472 -10.392 1.00 20.33 H new HETATM 0 HAN1 DTF A 174 12.367 -7.723 -14.463 1.00 12.32 H new HETATM 0 HAM1 DTF A 174 20.251 -12.506 -9.263 1.00 45.42 H new HETATM 0 HAL1 DTF A 174 23.416 -6.449 -7.081 1.00 20.23 H new HETATM 0 HAK1 DTF A 174 23.551 -8.186 -5.329 1.00 12.23 H new HETATM 0 HAJ1 DTF A 174 16.908 -6.842 -13.293 1.00 2.51 H new HETATM 0 HAI1 DTF A 174 17.874 -5.485 -10.744 1.00 74.00 H new HETATM 0 HB2 DTF A 174 20.128 -2.339 -7.645 1.00 31.23 H new HETATM 0 HB1 DTF A 174 18.789 -1.413 -8.292 1.00 31.23 H new HETATM 0 HAE DTF A 174 19.739 -4.357 -6.706 1.00 54.43 H new HETATM 0 HAD DTF A 174 18.116 -5.040 -6.558 1.00 54.43 H new HETATM 0 HAC DTF A 174 15.599 -1.842 -12.561 1.00 14.12 H new HETATM 0 HAB DTF A 174 17.851 -2.768 -10.671 1.00 63.32 H new HETATM 0 HAA DTF A 174 20.091 -3.918 -12.048 1.00 14.53 H new HETATM 0 HA1 DTF A 174 20.696 -1.992 -9.942 1.00 51.53 H new