USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=17 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 Set 1.1: A 137 SER OG : rot -23:sc= 0.602 USER MOD Set 1.2: A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 172:sc= 0.657 (180deg=0.613) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 165:sc= -0.0121 (180deg=-0.256) USER MOD Single : A 75 SER OG : rot 90:sc= 0.0908 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -2.15! C(o=-2.2!,f=-5.6!) USER MOD Single : A 79 HIS : no HD1:sc= -1.93! K(o=-1.9!,f=-0.85) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -27:sc= 0.234 USER MOD Single : A 96 SER OG : rot 180:sc=-0.00266 USER MOD Single : A 98 SER OG : rot -160:sc= -0.101 USER MOD Single : A 100 LYS NZ :NH3+ -151:sc= -0.0459 (180deg=-0.57) USER MOD Single : A 103 ASN : amide:sc= -0.229 K(o=-0.23,f=-2.1!) USER MOD Single : A 106 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.42) USER MOD Single : A 107 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-4!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 160:sc=-0.00637 (180deg=-0.153) USER MOD Single : A 118 TYR OH : rot -38:sc= 0.405 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.23) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HD1:sc= -3.02! K(o=-3!,f=-2) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 146:sc= 1.17 USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 GLN : amide:sc= -0.0646 K(o=-0.065,f=-0.64) USER MOD Single : A 145 GLN : amide:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 153 GLN : amide:sc= -0.85 K(o=-0.85,f=-3.9!) USER MOD Single : A 156 GLN : amide:sc= 0 X(o=0,f=0) 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 0.184 0.089 -0.645 1.00 20.33 N ATOM 2 CA TRP A 60 1.023 0.102 -1.838 1.00 54.20 C ATOM 3 C TRP A 60 1.413 -1.314 -2.245 1.00 24.32 C ATOM 4 O TRP A 60 2.321 -1.510 -3.053 1.00 25.42 O ATOM 5 CB TRP A 60 2.278 0.941 -1.594 1.00 63.14 C ATOM 6 CG TRP A 60 2.818 0.812 -0.202 1.00 52.10 C ATOM 7 CD1 TRP A 60 2.807 1.769 0.773 1.00 60.43 C ATOM 8 CD2 TRP A 60 3.449 -0.339 0.369 1.00 11.14 C ATOM 9 NE1 TRP A 60 3.394 1.281 1.916 1.00 54.42 N ATOM 10 CE2 TRP A 60 3.795 -0.009 1.695 1.00 72.54 C ATOM 11 CE3 TRP A 60 3.754 -1.616 -0.108 1.00 75.33 C ATOM 12 CZ2 TRP A 60 4.430 -0.911 2.544 1.00 65.32 C ATOM 13 CZ3 TRP A 60 4.385 -2.510 0.736 1.00 73.14 C ATOM 14 CH2 TRP A 60 4.717 -2.155 2.050 1.00 50.23 C ATOM 0 HA TRP A 60 0.449 0.547 -2.651 1.00 54.20 H new ATOM 0 HB2 TRP A 60 3.049 0.643 -2.304 1.00 63.14 H new ATOM 0 HB3 TRP A 60 2.050 1.988 -1.792 1.00 63.14 H new ATOM 0 HD1 TRP A 60 2.398 2.762 0.662 1.00 60.43 H new ATOM 0 HE1 TRP A 60 3.512 1.797 2.788 1.00 54.42 H new ATOM 0 HE3 TRP A 60 3.501 -1.900 -1.119 1.00 75.33 H new ATOM 0 HZ2 TRP A 60 4.687 -0.639 3.557 1.00 65.32 H new ATOM 0 HZ3 TRP A 60 4.626 -3.499 0.376 1.00 73.14 H new ATOM 0 HH2 TRP A 60 5.209 -2.877 2.685 1.00 50.23 H new ATOM 25 N PHE A 61 0.722 -2.299 -1.681 1.00 25.35 N ATOM 26 CA PHE A 61 0.998 -3.699 -1.985 1.00 5.54 C ATOM 27 C PHE A 61 -0.010 -4.246 -2.991 1.00 2.42 C ATOM 28 O PHE A 61 -1.201 -3.945 -2.919 1.00 14.32 O ATOM 29 CB PHE A 61 0.965 -4.537 -0.705 1.00 10.31 C ATOM 30 CG PHE A 61 0.598 -5.974 -0.939 1.00 72.23 C ATOM 31 CD1 PHE A 61 1.412 -6.795 -1.702 1.00 62.51 C ATOM 32 CD2 PHE A 61 -0.562 -6.504 -0.397 1.00 51.11 C ATOM 33 CE1 PHE A 61 1.077 -8.119 -1.919 1.00 44.25 C ATOM 34 CE2 PHE A 61 -0.902 -7.826 -0.611 1.00 23.43 C ATOM 35 CZ PHE A 61 -0.082 -8.635 -1.374 1.00 3.42 C ATOM 0 H PHE A 61 -0.033 -2.154 -1.011 1.00 25.35 H new ATOM 0 HA PHE A 61 1.993 -3.760 -2.425 1.00 5.54 H new ATOM 0 HB2 PHE A 61 1.943 -4.493 -0.226 1.00 10.31 H new ATOM 0 HB3 PHE A 61 0.250 -4.096 -0.010 1.00 10.31 H new ATOM 0 HD1 PHE A 61 2.319 -6.396 -2.132 1.00 62.51 H new ATOM 0 HD2 PHE A 61 -1.208 -5.877 0.200 1.00 51.11 H new ATOM 0 HE1 PHE A 61 1.721 -8.749 -2.514 1.00 44.25 H new ATOM 0 HE2 PHE A 61 -1.808 -8.227 -0.182 1.00 23.43 H new ATOM 0 HZ PHE A 61 -0.347 -9.668 -1.544 1.00 3.42 H new ATOM 45 N PHE A 62 0.477 -5.051 -3.929 1.00 43.43 N ATOM 46 CA PHE A 62 -0.380 -5.639 -4.952 1.00 22.12 C ATOM 47 C PHE A 62 -0.170 -7.148 -5.035 1.00 30.22 C ATOM 48 O PHE A 62 0.962 -7.627 -5.084 1.00 2.11 O ATOM 49 CB PHE A 62 -0.100 -4.998 -6.313 1.00 23.32 C ATOM 50 CG PHE A 62 -0.844 -3.713 -6.535 1.00 1.34 C ATOM 51 CD1 PHE A 62 -0.487 -2.563 -5.849 1.00 0.02 C ATOM 52 CD2 PHE A 62 -1.901 -3.654 -7.429 1.00 22.13 C ATOM 53 CE1 PHE A 62 -1.170 -1.378 -6.051 1.00 25.11 C ATOM 54 CE2 PHE A 62 -2.587 -2.472 -7.635 1.00 63.22 C ATOM 55 CZ PHE A 62 -2.221 -1.333 -6.945 1.00 35.14 C ATOM 0 H PHE A 62 1.461 -5.311 -4.002 1.00 43.43 H new ATOM 0 HA PHE A 62 -1.417 -5.448 -4.675 1.00 22.12 H new ATOM 0 HB2 PHE A 62 0.970 -4.809 -6.404 1.00 23.32 H new ATOM 0 HB3 PHE A 62 -0.367 -5.704 -7.100 1.00 23.32 H new ATOM 0 HD1 PHE A 62 0.334 -2.593 -5.148 1.00 0.02 H new ATOM 0 HD2 PHE A 62 -2.192 -4.542 -7.971 1.00 22.13 H new ATOM 0 HE1 PHE A 62 -0.882 -0.489 -5.510 1.00 25.11 H new ATOM 0 HE2 PHE A 62 -3.409 -2.439 -8.335 1.00 63.22 H new ATOM 0 HZ PHE A 62 -2.756 -0.409 -7.105 1.00 35.14 H new ATOM 65 N GLY A 63 -1.271 -7.893 -5.049 1.00 74.03 N ATOM 66 CA GLY A 63 -1.188 -9.340 -5.125 1.00 44.24 C ATOM 67 C GLY A 63 -0.447 -9.813 -6.360 1.00 63.51 C ATOM 68 O GLY A 63 0.778 -9.936 -6.350 1.00 3.02 O ATOM 0 H GLY A 63 -2.220 -7.520 -5.009 1.00 74.03 H new ATOM 0 HA2 GLY A 63 -0.685 -9.719 -4.235 1.00 44.24 H new ATOM 0 HA3 GLY A 63 -2.194 -9.759 -5.126 1.00 44.24 H new ATOM 72 N LYS A 64 -1.191 -10.083 -7.428 1.00 3.44 N ATOM 73 CA LYS A 64 -0.598 -10.546 -8.677 1.00 31.24 C ATOM 74 C LYS A 64 -0.984 -9.631 -9.834 1.00 62.24 C ATOM 75 O LYS A 64 -2.140 -9.605 -10.258 1.00 44.13 O ATOM 76 CB LYS A 64 -1.044 -11.980 -8.975 1.00 45.41 C ATOM 77 CG LYS A 64 -0.878 -12.925 -7.798 1.00 71.53 C ATOM 78 CD LYS A 64 0.536 -13.475 -7.719 1.00 63.00 C ATOM 79 CE LYS A 64 1.039 -13.515 -6.284 1.00 61.11 C ATOM 80 NZ LYS A 64 0.759 -14.826 -5.635 1.00 2.33 N ATOM 0 H LYS A 64 -2.206 -9.989 -7.453 1.00 3.44 H new ATOM 0 HA LYS A 64 0.486 -10.524 -8.567 1.00 31.24 H new ATOM 0 HB2 LYS A 64 -2.091 -11.970 -9.278 1.00 45.41 H new ATOM 0 HB3 LYS A 64 -0.471 -12.362 -9.820 1.00 45.41 H new ATOM 0 HG2 LYS A 64 -1.118 -12.401 -6.873 1.00 71.53 H new ATOM 0 HG3 LYS A 64 -1.585 -13.749 -7.890 1.00 71.53 H new ATOM 0 HD2 LYS A 64 0.561 -14.479 -8.143 1.00 63.00 H new ATOM 0 HD3 LYS A 64 1.202 -12.858 -8.322 1.00 63.00 H new ATOM 0 HE2 LYS A 64 2.112 -13.324 -6.270 1.00 61.11 H new ATOM 0 HE3 LYS A 64 0.566 -12.718 -5.711 1.00 61.11 H new ATOM 0 HZ1 LYS A 64 1.233 -14.864 -4.710 1.00 2.33 H new ATOM 0 HZ2 LYS A 64 -0.267 -14.936 -5.503 1.00 2.33 H new ATOM 0 HZ3 LYS A 64 1.115 -15.595 -6.238 1.00 2.33 H new ATOM 94 N ILE A 65 -0.009 -8.884 -10.342 1.00 73.21 N ATOM 95 CA ILE A 65 -0.247 -7.970 -11.453 1.00 33.55 C ATOM 96 C ILE A 65 0.882 -8.042 -12.475 1.00 12.10 C ATOM 97 O ILE A 65 2.064 -8.055 -12.131 1.00 50.33 O ATOM 98 CB ILE A 65 -0.392 -6.517 -10.964 1.00 44.15 C ATOM 99 CG1 ILE A 65 0.866 -6.082 -10.209 1.00 61.24 C ATOM 100 CG2 ILE A 65 -1.622 -6.374 -10.081 1.00 71.42 C ATOM 101 CD1 ILE A 65 1.680 -5.039 -10.942 1.00 2.54 C ATOM 0 H ILE A 65 0.953 -8.894 -10.002 1.00 73.21 H new ATOM 0 HA ILE A 65 -1.180 -8.280 -11.924 1.00 33.55 H new ATOM 0 HB ILE A 65 -0.515 -5.869 -11.832 1.00 44.15 H new ATOM 0 HG12 ILE A 65 0.577 -5.687 -9.235 1.00 61.24 H new ATOM 0 HG13 ILE A 65 1.491 -6.956 -10.026 1.00 61.24 H new ATOM 0 HG21 ILE A 65 -1.710 -5.341 -9.744 1.00 71.42 H new ATOM 0 HG22 ILE A 65 -2.511 -6.647 -10.649 1.00 71.42 H new ATOM 0 HG23 ILE A 65 -1.528 -7.031 -9.216 1.00 71.42 H new ATOM 0 HD11 ILE A 65 2.556 -4.778 -10.349 1.00 2.54 H new ATOM 0 HD12 ILE A 65 1.999 -5.437 -11.905 1.00 2.54 H new ATOM 0 HD13 ILE A 65 1.072 -4.149 -11.102 1.00 2.54 H new ATOM 113 N PRO A 66 0.511 -8.088 -13.763 1.00 43.13 N ATOM 114 CA PRO A 66 1.478 -8.156 -14.863 1.00 22.20 C ATOM 115 C PRO A 66 2.257 -6.856 -15.032 1.00 20.23 C ATOM 116 O PRO A 66 1.719 -5.768 -14.828 1.00 35.14 O ATOM 117 CB PRO A 66 0.602 -8.418 -16.090 1.00 55.53 C ATOM 118 CG PRO A 66 -0.733 -7.865 -15.727 1.00 52.41 C ATOM 119 CD PRO A 66 -0.880 -8.076 -14.246 1.00 21.24 C ATOM 0 HA PRO A 66 2.236 -8.921 -14.692 1.00 22.20 H new ATOM 0 HB2 PRO A 66 1.006 -7.929 -16.976 1.00 55.53 H new ATOM 0 HB3 PRO A 66 0.542 -9.483 -16.313 1.00 55.53 H new ATOM 0 HG2 PRO A 66 -0.798 -6.806 -15.979 1.00 52.41 H new ATOM 0 HG3 PRO A 66 -1.527 -8.372 -16.274 1.00 52.41 H new ATOM 0 HD2 PRO A 66 -1.460 -7.278 -13.782 1.00 21.24 H new ATOM 0 HD3 PRO A 66 -1.391 -9.012 -14.022 1.00 21.24 H new ATOM 127 N ARG A 67 3.527 -6.977 -15.406 1.00 14.42 N ATOM 128 CA ARG A 67 4.379 -5.810 -15.601 1.00 64.42 C ATOM 129 C ARG A 67 3.573 -4.630 -16.135 1.00 72.30 C ATOM 130 O ARG A 67 3.693 -3.509 -15.641 1.00 63.55 O ATOM 131 CB ARG A 67 5.519 -6.141 -16.567 1.00 31.43 C ATOM 132 CG ARG A 67 5.848 -7.624 -16.635 1.00 4.33 C ATOM 133 CD ARG A 67 6.155 -8.190 -15.257 1.00 43.12 C ATOM 134 NE ARG A 67 7.571 -8.068 -14.918 1.00 15.30 N ATOM 135 CZ ARG A 67 8.544 -8.661 -15.600 1.00 53.13 C ATOM 136 NH1 ARG A 67 8.256 -9.413 -16.653 1.00 60.34 N ATOM 137 NH2 ARG A 67 9.808 -8.502 -15.230 1.00 12.32 N ATOM 0 H ARG A 67 3.988 -7.870 -15.580 1.00 14.42 H new ATOM 0 HA ARG A 67 4.799 -5.533 -14.634 1.00 64.42 H new ATOM 0 HB2 ARG A 67 5.252 -5.790 -17.564 1.00 31.43 H new ATOM 0 HB3 ARG A 67 6.411 -5.593 -16.264 1.00 31.43 H new ATOM 0 HG2 ARG A 67 5.009 -8.164 -17.073 1.00 4.33 H new ATOM 0 HG3 ARG A 67 6.704 -7.778 -17.292 1.00 4.33 H new ATOM 0 HD2 ARG A 67 5.557 -7.669 -14.510 1.00 43.12 H new ATOM 0 HD3 ARG A 67 5.863 -9.240 -15.223 1.00 43.12 H new ATOM 0 HE ARG A 67 7.826 -7.496 -14.113 1.00 15.30 H new ATOM 0 HH11 ARG A 67 7.285 -9.537 -16.941 1.00 60.34 H new ATOM 0 HH12 ARG A 67 9.005 -9.867 -17.175 1.00 60.34 H new ATOM 0 HH21 ARG A 67 10.034 -7.924 -14.421 1.00 12.32 H new ATOM 0 HH22 ARG A 67 10.554 -8.958 -15.755 1.00 12.32 H new ATOM 151 N ALA A 68 2.751 -4.891 -17.146 1.00 60.04 N ATOM 152 CA ALA A 68 1.924 -3.851 -17.746 1.00 72.50 C ATOM 153 C ALA A 68 1.097 -3.129 -16.688 1.00 30.23 C ATOM 154 O ALA A 68 1.164 -1.907 -16.560 1.00 4.54 O ATOM 155 CB ALA A 68 1.016 -4.448 -18.811 1.00 71.32 C ATOM 0 H ALA A 68 2.640 -5.814 -17.567 1.00 60.04 H new ATOM 0 HA ALA A 68 2.584 -3.121 -18.214 1.00 72.50 H new ATOM 0 HB1 ALA A 68 0.404 -3.660 -19.251 1.00 71.32 H new ATOM 0 HB2 ALA A 68 1.623 -4.912 -19.588 1.00 71.32 H new ATOM 0 HB3 ALA A 68 0.369 -5.200 -18.358 1.00 71.32 H new ATOM 161 N LYS A 69 0.316 -3.893 -15.931 1.00 0.30 N ATOM 162 CA LYS A 69 -0.524 -3.326 -14.883 1.00 34.44 C ATOM 163 C LYS A 69 0.271 -2.362 -14.009 1.00 24.01 C ATOM 164 O LYS A 69 -0.130 -1.216 -13.808 1.00 72.31 O ATOM 165 CB LYS A 69 -1.119 -4.441 -14.019 1.00 61.42 C ATOM 166 CG LYS A 69 -2.636 -4.504 -14.067 1.00 63.51 C ATOM 167 CD LYS A 69 -3.129 -5.049 -15.397 1.00 54.21 C ATOM 168 CE LYS A 69 -4.610 -5.391 -15.344 1.00 34.20 C ATOM 169 NZ LYS A 69 -5.401 -4.586 -16.315 1.00 52.51 N ATOM 0 H LYS A 69 0.248 -4.906 -16.024 1.00 0.30 H new ATOM 0 HA LYS A 69 -1.333 -2.773 -15.361 1.00 34.44 H new ATOM 0 HB2 LYS A 69 -0.713 -5.398 -14.346 1.00 61.42 H new ATOM 0 HB3 LYS A 69 -0.802 -4.297 -12.986 1.00 61.42 H new ATOM 0 HG2 LYS A 69 -3.001 -5.135 -13.256 1.00 63.51 H new ATOM 0 HG3 LYS A 69 -3.048 -3.508 -13.906 1.00 63.51 H new ATOM 0 HD2 LYS A 69 -2.952 -4.313 -16.181 1.00 54.21 H new ATOM 0 HD3 LYS A 69 -2.558 -5.939 -15.661 1.00 54.21 H new ATOM 0 HE2 LYS A 69 -4.745 -6.452 -15.556 1.00 34.20 H new ATOM 0 HE3 LYS A 69 -4.987 -5.217 -14.336 1.00 34.20 H new ATOM 0 HZ1 LYS A 69 -6.405 -4.849 -16.248 1.00 52.51 H new ATOM 0 HZ2 LYS A 69 -5.293 -3.575 -16.097 1.00 52.51 H new ATOM 0 HZ3 LYS A 69 -5.059 -4.771 -17.279 1.00 52.51 H new ATOM 183 N ALA A 70 1.402 -2.833 -13.493 1.00 70.32 N ATOM 184 CA ALA A 70 2.255 -2.011 -12.644 1.00 64.34 C ATOM 185 C ALA A 70 2.603 -0.693 -13.328 1.00 21.12 C ATOM 186 O ALA A 70 2.369 0.382 -12.777 1.00 1.00 O ATOM 187 CB ALA A 70 3.523 -2.769 -12.279 1.00 22.00 C ATOM 0 H ALA A 70 1.748 -3.780 -13.648 1.00 70.32 H new ATOM 0 HA ALA A 70 1.705 -1.783 -11.731 1.00 64.34 H new ATOM 0 HB1 ALA A 70 4.151 -2.143 -11.645 1.00 22.00 H new ATOM 0 HB2 ALA A 70 3.260 -3.681 -11.743 1.00 22.00 H new ATOM 0 HB3 ALA A 70 4.067 -3.026 -13.188 1.00 22.00 H new ATOM 193 N GLU A 71 3.163 -0.785 -14.530 1.00 3.31 N ATOM 194 CA GLU A 71 3.544 0.402 -15.287 1.00 4.03 C ATOM 195 C GLU A 71 2.379 1.383 -15.383 1.00 44.03 C ATOM 196 O GLU A 71 2.579 2.597 -15.416 1.00 35.25 O ATOM 197 CB GLU A 71 4.013 0.011 -16.690 1.00 24.44 C ATOM 198 CG GLU A 71 5.148 -1.001 -16.692 1.00 55.51 C ATOM 199 CD GLU A 71 5.285 -1.720 -18.020 1.00 34.12 C ATOM 200 OE1 GLU A 71 4.809 -1.180 -19.040 1.00 44.51 O ATOM 201 OE2 GLU A 71 5.868 -2.824 -18.038 1.00 32.41 O ATOM 0 H GLU A 71 3.363 -1.668 -15.000 1.00 3.31 H new ATOM 0 HA GLU A 71 4.365 0.889 -14.760 1.00 4.03 H new ATOM 0 HB2 GLU A 71 3.170 -0.400 -17.245 1.00 24.44 H new ATOM 0 HB3 GLU A 71 4.336 0.908 -17.219 1.00 24.44 H new ATOM 0 HG2 GLU A 71 6.084 -0.492 -16.460 1.00 55.51 H new ATOM 0 HG3 GLU A 71 4.979 -1.733 -15.902 1.00 55.51 H new ATOM 208 N GLU A 72 1.164 0.847 -15.430 1.00 31.44 N ATOM 209 CA GLU A 72 -0.033 1.675 -15.524 1.00 24.40 C ATOM 210 C GLU A 72 -0.357 2.317 -14.178 1.00 51.35 C ATOM 211 O GLU A 72 -0.708 3.495 -14.110 1.00 22.21 O ATOM 212 CB GLU A 72 -1.222 0.839 -16.002 1.00 63.23 C ATOM 213 CG GLU A 72 -1.093 0.364 -17.440 1.00 22.21 C ATOM 214 CD GLU A 72 -1.216 1.496 -18.442 1.00 34.45 C ATOM 215 OE1 GLU A 72 -2.010 2.426 -18.191 1.00 54.12 O ATOM 216 OE2 GLU A 72 -0.518 1.450 -19.476 1.00 51.20 O ATOM 0 H GLU A 72 0.982 -0.156 -15.405 1.00 31.44 H new ATOM 0 HA GLU A 72 0.160 2.467 -16.248 1.00 24.40 H new ATOM 0 HB2 GLU A 72 -1.331 -0.028 -15.350 1.00 63.23 H new ATOM 0 HB3 GLU A 72 -2.133 1.429 -15.903 1.00 63.23 H new ATOM 0 HG2 GLU A 72 -0.130 -0.129 -17.571 1.00 22.21 H new ATOM 0 HG3 GLU A 72 -1.862 -0.381 -17.643 1.00 22.21 H new ATOM 223 N MET A 73 -0.238 1.534 -13.111 1.00 43.23 N ATOM 224 CA MET A 73 -0.518 2.027 -11.767 1.00 64.35 C ATOM 225 C MET A 73 0.373 3.218 -11.429 1.00 31.04 C ATOM 226 O MET A 73 -0.061 4.162 -10.766 1.00 62.51 O ATOM 227 CB MET A 73 -0.312 0.912 -10.740 1.00 4.43 C ATOM 228 CG MET A 73 -1.259 -0.263 -10.919 1.00 51.41 C ATOM 229 SD MET A 73 -2.990 0.241 -10.959 1.00 31.25 S ATOM 230 CE MET A 73 -3.339 0.115 -12.711 1.00 13.22 C ATOM 0 H MET A 73 0.050 0.556 -13.150 1.00 43.23 H new ATOM 0 HA MET A 73 -1.557 2.353 -11.735 1.00 64.35 H new ATOM 0 HB2 MET A 73 0.715 0.553 -10.807 1.00 4.43 H new ATOM 0 HB3 MET A 73 -0.442 1.323 -9.739 1.00 4.43 H new ATOM 0 HG2 MET A 73 -1.015 -0.784 -11.845 1.00 51.41 H new ATOM 0 HG3 MET A 73 -1.110 -0.972 -10.105 1.00 51.41 H new ATOM 0 HE1 MET A 73 -4.417 0.132 -12.869 1.00 13.22 H new ATOM 0 HE2 MET A 73 -2.882 0.955 -13.234 1.00 13.22 H new ATOM 0 HE3 MET A 73 -2.930 -0.819 -13.097 1.00 13.22 H new ATOM 240 N LEU A 74 1.619 3.168 -11.886 1.00 50.43 N ATOM 241 CA LEU A 74 2.571 4.244 -11.631 1.00 60.12 C ATOM 242 C LEU A 74 2.395 5.377 -12.637 1.00 72.01 C ATOM 243 O LEU A 74 2.465 6.553 -12.281 1.00 1.21 O ATOM 244 CB LEU A 74 4.003 3.709 -11.693 1.00 51.55 C ATOM 245 CG LEU A 74 4.242 2.352 -11.031 1.00 3.43 C ATOM 246 CD1 LEU A 74 5.605 1.801 -11.420 1.00 2.32 C ATOM 247 CD2 LEU A 74 4.124 2.469 -9.518 1.00 43.41 C ATOM 0 H LEU A 74 1.994 2.394 -12.435 1.00 50.43 H new ATOM 0 HA LEU A 74 2.379 4.637 -10.633 1.00 60.12 H new ATOM 0 HB2 LEU A 74 4.297 3.637 -12.740 1.00 51.55 H new ATOM 0 HB3 LEU A 74 4.663 4.440 -11.226 1.00 51.55 H new ATOM 0 HG LEU A 74 3.479 1.658 -11.383 1.00 3.43 H new ATOM 0 HD11 LEU A 74 5.757 0.835 -10.939 1.00 2.32 H new ATOM 0 HD12 LEU A 74 5.653 1.680 -12.502 1.00 2.32 H new ATOM 0 HD13 LEU A 74 6.383 2.493 -11.098 1.00 2.32 H new ATOM 0 HD21 LEU A 74 4.297 1.494 -9.063 1.00 43.41 H new ATOM 0 HD22 LEU A 74 4.865 3.178 -9.149 1.00 43.41 H new ATOM 0 HD23 LEU A 74 3.125 2.819 -9.257 1.00 43.41 H new ATOM 259 N SER A 75 2.163 5.014 -13.895 1.00 5.32 N ATOM 260 CA SER A 75 1.978 6.000 -14.953 1.00 5.40 C ATOM 261 C SER A 75 0.772 6.889 -14.663 1.00 64.40 C ATOM 262 O SER A 75 0.866 8.116 -14.703 1.00 32.45 O ATOM 263 CB SER A 75 1.800 5.303 -16.303 1.00 50.31 C ATOM 264 OG SER A 75 3.053 4.981 -16.880 1.00 64.31 O ATOM 0 H SER A 75 2.099 4.045 -14.206 1.00 5.32 H new ATOM 0 HA SER A 75 2.869 6.627 -14.991 1.00 5.40 H new ATOM 0 HB2 SER A 75 1.212 4.394 -16.172 1.00 50.31 H new ATOM 0 HB3 SER A 75 1.240 5.950 -16.979 1.00 50.31 H new ATOM 0 HG SER A 75 3.325 4.085 -16.592 1.00 64.31 H new ATOM 270 N LYS A 76 -0.361 6.260 -14.371 1.00 71.44 N ATOM 271 CA LYS A 76 -1.587 6.990 -14.073 1.00 52.01 C ATOM 272 C LYS A 76 -1.330 8.090 -13.048 1.00 23.43 C ATOM 273 O LYS A 76 -1.965 9.143 -13.083 1.00 5.25 O ATOM 274 CB LYS A 76 -2.661 6.033 -13.551 1.00 74.14 C ATOM 275 CG LYS A 76 -2.362 5.477 -12.170 1.00 64.21 C ATOM 276 CD LYS A 76 -3.612 4.921 -11.509 1.00 62.25 C ATOM 277 CE LYS A 76 -3.967 3.547 -12.057 1.00 34.12 C ATOM 278 NZ LYS A 76 -5.440 3.356 -12.162 1.00 75.00 N ATOM 0 H LYS A 76 -0.456 5.245 -14.334 1.00 71.44 H new ATOM 0 HA LYS A 76 -1.938 7.452 -14.996 1.00 52.01 H new ATOM 0 HB2 LYS A 76 -3.618 6.554 -13.524 1.00 74.14 H new ATOM 0 HB3 LYS A 76 -2.769 5.205 -14.251 1.00 74.14 H new ATOM 0 HG2 LYS A 76 -1.611 4.691 -12.248 1.00 64.21 H new ATOM 0 HG3 LYS A 76 -1.938 6.263 -11.545 1.00 64.21 H new ATOM 0 HD2 LYS A 76 -3.457 4.856 -10.432 1.00 62.25 H new ATOM 0 HD3 LYS A 76 -4.445 5.605 -11.670 1.00 62.25 H new ATOM 0 HE2 LYS A 76 -3.513 3.420 -13.040 1.00 34.12 H new ATOM 0 HE3 LYS A 76 -3.546 2.778 -11.409 1.00 34.12 H new ATOM 0 HZ1 LYS A 76 -5.641 2.408 -12.539 1.00 75.00 H new ATOM 0 HZ2 LYS A 76 -5.871 3.452 -11.220 1.00 75.00 H new ATOM 0 HZ3 LYS A 76 -5.839 4.074 -12.800 1.00 75.00 H new ATOM 292 N GLN A 77 -0.394 7.837 -12.138 1.00 73.20 N ATOM 293 CA GLN A 77 -0.053 8.807 -11.104 1.00 33.41 C ATOM 294 C GLN A 77 0.329 10.148 -11.720 1.00 52.24 C ATOM 295 O GLN A 77 0.542 10.249 -12.929 1.00 31.22 O ATOM 296 CB GLN A 77 1.097 8.282 -10.242 1.00 74.13 C ATOM 297 CG GLN A 77 0.847 6.894 -9.674 1.00 41.14 C ATOM 298 CD GLN A 77 -0.383 6.838 -8.790 1.00 22.11 C ATOM 299 OE1 GLN A 77 -0.878 7.867 -8.330 1.00 34.01 O ATOM 300 NE2 GLN A 77 -0.883 5.632 -8.547 1.00 10.01 N ATOM 0 H GLN A 77 0.141 6.970 -12.096 1.00 73.20 H new ATOM 0 HA GLN A 77 -0.931 8.954 -10.475 1.00 33.41 H new ATOM 0 HB2 GLN A 77 2.008 8.262 -10.840 1.00 74.13 H new ATOM 0 HB3 GLN A 77 1.270 8.976 -9.420 1.00 74.13 H new ATOM 0 HG2 GLN A 77 0.733 6.185 -10.494 1.00 41.14 H new ATOM 0 HG3 GLN A 77 1.718 6.579 -9.099 1.00 41.14 H new ATOM 0 HE21 GLN A 77 -0.440 4.806 -8.949 1.00 10.01 H new ATOM 0 HE22 GLN A 77 -1.710 5.532 -7.958 1.00 10.01 H new ATOM 309 N ARG A 78 0.413 11.176 -10.883 1.00 1.35 N ATOM 310 CA ARG A 78 0.768 12.512 -11.346 1.00 11.42 C ATOM 311 C ARG A 78 2.134 12.929 -10.808 1.00 15.51 C ATOM 312 O ARG A 78 2.841 13.724 -11.428 1.00 54.23 O ATOM 313 CB ARG A 78 -0.294 13.524 -10.912 1.00 0.53 C ATOM 314 CG ARG A 78 -1.715 12.991 -10.996 1.00 64.13 C ATOM 315 CD ARG A 78 -2.134 12.749 -12.438 1.00 22.41 C ATOM 316 NE ARG A 78 -3.512 13.164 -12.684 1.00 41.34 N ATOM 317 CZ ARG A 78 -4.030 13.307 -13.899 1.00 53.11 C ATOM 318 NH1 ARG A 78 -3.289 13.068 -14.972 1.00 51.41 N ATOM 319 NH2 ARG A 78 -5.293 13.689 -14.042 1.00 71.11 N ATOM 0 H ARG A 78 0.240 11.110 -9.880 1.00 1.35 H new ATOM 0 HA ARG A 78 0.817 12.491 -12.435 1.00 11.42 H new ATOM 0 HB2 ARG A 78 -0.091 13.833 -9.887 1.00 0.53 H new ATOM 0 HB3 ARG A 78 -0.212 14.414 -11.536 1.00 0.53 H new ATOM 0 HG2 ARG A 78 -1.790 12.061 -10.433 1.00 64.13 H new ATOM 0 HG3 ARG A 78 -2.399 13.701 -10.531 1.00 64.13 H new ATOM 0 HD2 ARG A 78 -1.467 13.294 -13.106 1.00 22.41 H new ATOM 0 HD3 ARG A 78 -2.027 11.690 -12.674 1.00 22.41 H new ATOM 0 HE ARG A 78 -4.109 13.354 -11.879 1.00 41.34 H new ATOM 0 HH11 ARG A 78 -2.318 12.773 -14.866 1.00 51.41 H new ATOM 0 HH12 ARG A 78 -3.690 13.179 -15.903 1.00 51.41 H new ATOM 0 HH21 ARG A 78 -5.866 13.873 -13.219 1.00 71.11 H new ATOM 0 HH22 ARG A 78 -5.690 13.799 -14.975 1.00 71.11 H new ATOM 333 N HIS A 79 2.498 12.388 -9.650 1.00 2.33 N ATOM 334 CA HIS A 79 3.779 12.704 -9.028 1.00 43.21 C ATOM 335 C HIS A 79 4.921 11.987 -9.742 1.00 21.33 C ATOM 336 O HIS A 79 4.744 11.454 -10.838 1.00 11.25 O ATOM 337 CB HIS A 79 3.762 12.315 -7.549 1.00 42.44 C ATOM 338 CG HIS A 79 2.384 12.213 -6.973 1.00 13.11 C ATOM 339 ND1 HIS A 79 2.033 11.277 -6.023 1.00 74.25 N ATOM 340 CD2 HIS A 79 1.267 12.938 -7.215 1.00 74.05 C ATOM 341 CE1 HIS A 79 0.759 11.429 -5.708 1.00 73.03 C ATOM 342 NE2 HIS A 79 0.271 12.431 -6.417 1.00 72.13 N ATOM 0 H HIS A 79 1.924 11.729 -9.123 1.00 2.33 H new ATOM 0 HA HIS A 79 3.940 13.779 -9.111 1.00 43.21 H new ATOM 0 HB2 HIS A 79 4.269 11.358 -7.428 1.00 42.44 H new ATOM 0 HB3 HIS A 79 4.331 13.052 -6.981 1.00 42.44 H new ATOM 0 HD2 HIS A 79 1.176 13.762 -7.907 1.00 74.05 H new ATOM 0 HE1 HIS A 79 0.210 10.835 -4.992 1.00 73.03 H new ATOM 0 HE2 HIS A 79 -0.689 12.773 -6.378 1.00 72.13 H new ATOM 350 N ASP A 80 6.092 11.978 -9.114 1.00 33.41 N ATOM 351 CA ASP A 80 7.263 11.325 -9.689 1.00 14.53 C ATOM 352 C ASP A 80 7.928 10.406 -8.669 1.00 50.31 C ATOM 353 O ASP A 80 8.444 10.863 -7.650 1.00 15.12 O ATOM 354 CB ASP A 80 8.264 12.371 -10.182 1.00 24.32 C ATOM 355 CG ASP A 80 8.788 13.245 -9.060 1.00 1.33 C ATOM 356 OD1 ASP A 80 8.016 14.086 -8.553 1.00 1.14 O ATOM 357 OD2 ASP A 80 9.970 13.088 -8.688 1.00 13.41 O ATOM 0 H ASP A 80 6.256 12.415 -8.207 1.00 33.41 H new ATOM 0 HA ASP A 80 6.934 10.721 -10.535 1.00 14.53 H new ATOM 0 HB2 ASP A 80 9.100 11.869 -10.668 1.00 24.32 H new ATOM 0 HB3 ASP A 80 7.788 12.999 -10.935 1.00 24.32 H new ATOM 362 N GLY A 81 7.912 9.107 -8.951 1.00 55.05 N ATOM 363 CA GLY A 81 8.515 8.144 -8.049 1.00 1.10 C ATOM 364 C GLY A 81 7.501 7.177 -7.471 1.00 64.51 C ATOM 365 O GLY A 81 7.704 6.629 -6.388 1.00 32.31 O ATOM 0 H GLY A 81 7.492 8.704 -9.789 1.00 55.05 H new ATOM 0 HA2 GLY A 81 9.284 7.584 -8.581 1.00 1.10 H new ATOM 0 HA3 GLY A 81 9.012 8.674 -7.236 1.00 1.10 H new ATOM 369 N ALA A 82 6.407 6.967 -8.195 1.00 34.23 N ATOM 370 CA ALA A 82 5.358 6.059 -7.748 1.00 33.34 C ATOM 371 C ALA A 82 5.902 4.648 -7.546 1.00 53.51 C ATOM 372 O ALA A 82 6.318 3.991 -8.500 1.00 74.51 O ATOM 373 CB ALA A 82 4.210 6.046 -8.746 1.00 13.11 C ATOM 0 H ALA A 82 6.224 7.413 -9.094 1.00 34.23 H new ATOM 0 HA ALA A 82 4.986 6.418 -6.788 1.00 33.34 H new ATOM 0 HB1 ALA A 82 3.434 5.364 -8.399 1.00 13.11 H new ATOM 0 HB2 ALA A 82 3.796 7.050 -8.837 1.00 13.11 H new ATOM 0 HB3 ALA A 82 4.576 5.715 -9.718 1.00 13.11 H new ATOM 379 N PHE A 83 5.897 4.190 -6.299 1.00 33.11 N ATOM 380 CA PHE A 83 6.391 2.858 -5.972 1.00 65.41 C ATOM 381 C PHE A 83 5.235 1.899 -5.703 1.00 63.23 C ATOM 382 O PHE A 83 4.256 2.258 -5.048 1.00 75.45 O ATOM 383 CB PHE A 83 7.313 2.918 -4.752 1.00 62.33 C ATOM 384 CG PHE A 83 6.575 2.947 -3.444 1.00 44.34 C ATOM 385 CD1 PHE A 83 6.189 4.152 -2.879 1.00 22.33 C ATOM 386 CD2 PHE A 83 6.269 1.771 -2.780 1.00 75.42 C ATOM 387 CE1 PHE A 83 5.510 4.182 -1.675 1.00 52.54 C ATOM 388 CE2 PHE A 83 5.589 1.795 -1.577 1.00 40.10 C ATOM 389 CZ PHE A 83 5.210 3.002 -1.023 1.00 43.53 C ATOM 0 H PHE A 83 5.556 4.722 -5.498 1.00 33.11 H new ATOM 0 HA PHE A 83 6.955 2.487 -6.828 1.00 65.41 H new ATOM 0 HB2 PHE A 83 7.978 2.054 -4.766 1.00 62.33 H new ATOM 0 HB3 PHE A 83 7.942 3.805 -4.825 1.00 62.33 H new ATOM 0 HD1 PHE A 83 6.421 5.078 -3.385 1.00 22.33 H new ATOM 0 HD2 PHE A 83 6.565 0.824 -3.207 1.00 75.42 H new ATOM 0 HE1 PHE A 83 5.214 5.127 -1.245 1.00 52.54 H new ATOM 0 HE2 PHE A 83 5.354 0.870 -1.071 1.00 40.10 H new ATOM 0 HZ PHE A 83 4.680 3.023 -0.082 1.00 43.53 H new ATOM 399 N LEU A 84 5.356 0.678 -6.214 1.00 1.35 N ATOM 400 CA LEU A 84 4.321 -0.334 -6.030 1.00 5.42 C ATOM 401 C LEU A 84 4.931 -1.730 -5.963 1.00 25.14 C ATOM 402 O LEU A 84 5.506 -2.214 -6.938 1.00 25.31 O ATOM 403 CB LEU A 84 3.304 -0.264 -7.170 1.00 13.54 C ATOM 404 CG LEU A 84 2.465 -1.521 -7.399 1.00 30.42 C ATOM 405 CD1 LEU A 84 1.168 -1.175 -8.113 1.00 71.23 C ATOM 406 CD2 LEU A 84 3.255 -2.552 -8.193 1.00 12.33 C ATOM 0 H LEU A 84 6.160 0.365 -6.758 1.00 1.35 H new ATOM 0 HA LEU A 84 3.814 -0.133 -5.086 1.00 5.42 H new ATOM 0 HB2 LEU A 84 2.628 0.569 -6.977 1.00 13.54 H new ATOM 0 HB3 LEU A 84 3.837 -0.034 -8.092 1.00 13.54 H new ATOM 0 HG LEU A 84 2.217 -1.951 -6.428 1.00 30.42 H new ATOM 0 HD11 LEU A 84 0.584 -2.083 -8.267 1.00 71.23 H new ATOM 0 HD12 LEU A 84 0.595 -0.473 -7.507 1.00 71.23 H new ATOM 0 HD13 LEU A 84 1.394 -0.721 -9.078 1.00 71.23 H new ATOM 0 HD21 LEU A 84 2.642 -3.440 -8.347 1.00 12.33 H new ATOM 0 HD22 LEU A 84 3.534 -2.132 -9.159 1.00 12.33 H new ATOM 0 HD23 LEU A 84 4.156 -2.823 -7.642 1.00 12.33 H new ATOM 418 N ILE A 85 4.800 -2.372 -4.807 1.00 22.41 N ATOM 419 CA ILE A 85 5.336 -3.714 -4.614 1.00 75.43 C ATOM 420 C ILE A 85 4.302 -4.776 -4.975 1.00 14.32 C ATOM 421 O ILE A 85 3.234 -4.849 -4.366 1.00 21.11 O ATOM 422 CB ILE A 85 5.795 -3.934 -3.161 1.00 33.02 C ATOM 423 CG1 ILE A 85 6.881 -2.923 -2.788 1.00 24.40 C ATOM 424 CG2 ILE A 85 6.301 -5.357 -2.974 1.00 55.34 C ATOM 425 CD1 ILE A 85 7.319 -3.012 -1.343 1.00 13.04 C ATOM 0 H ILE A 85 4.328 -1.985 -3.990 1.00 22.41 H new ATOM 0 HA ILE A 85 6.197 -3.808 -5.276 1.00 75.43 H new ATOM 0 HB ILE A 85 4.942 -3.783 -2.499 1.00 33.02 H new ATOM 0 HG12 ILE A 85 7.747 -3.078 -3.432 1.00 24.40 H new ATOM 0 HG13 ILE A 85 6.513 -1.916 -2.986 1.00 24.40 H new ATOM 0 HG21 ILE A 85 6.622 -5.496 -1.942 1.00 55.34 H new ATOM 0 HG22 ILE A 85 5.501 -6.061 -3.204 1.00 55.34 H new ATOM 0 HG23 ILE A 85 7.143 -5.534 -3.643 1.00 55.34 H new ATOM 0 HD11 ILE A 85 8.090 -2.266 -1.150 1.00 13.04 H new ATOM 0 HD12 ILE A 85 6.465 -2.827 -0.692 1.00 13.04 H new ATOM 0 HD13 ILE A 85 7.718 -4.007 -1.144 1.00 13.04 H new ATOM 437 N ARG A 86 4.627 -5.597 -5.968 1.00 35.44 N ATOM 438 CA ARG A 86 3.726 -6.656 -6.409 1.00 43.30 C ATOM 439 C ARG A 86 4.299 -8.030 -6.077 1.00 30.44 C ATOM 440 O ARG A 86 5.492 -8.168 -5.810 1.00 3.31 O ATOM 441 CB ARG A 86 3.475 -6.546 -7.914 1.00 64.32 C ATOM 442 CG ARG A 86 4.743 -6.624 -8.750 1.00 75.50 C ATOM 443 CD ARG A 86 5.034 -5.303 -9.445 1.00 20.54 C ATOM 444 NE ARG A 86 5.514 -5.497 -10.810 1.00 61.32 N ATOM 445 CZ ARG A 86 6.762 -5.840 -11.109 1.00 3.03 C ATOM 446 NH1 ARG A 86 7.651 -6.026 -10.143 1.00 2.02 N ATOM 447 NH2 ARG A 86 7.123 -5.998 -12.376 1.00 3.22 N ATOM 0 H ARG A 86 5.507 -5.550 -6.482 1.00 35.44 H new ATOM 0 HA ARG A 86 2.780 -6.539 -5.880 1.00 43.30 H new ATOM 0 HB2 ARG A 86 2.798 -7.344 -8.220 1.00 64.32 H new ATOM 0 HB3 ARG A 86 2.970 -5.602 -8.122 1.00 64.32 H new ATOM 0 HG2 ARG A 86 5.585 -6.894 -8.112 1.00 75.50 H new ATOM 0 HG3 ARG A 86 4.641 -7.414 -9.495 1.00 75.50 H new ATOM 0 HD2 ARG A 86 4.129 -4.695 -9.462 1.00 20.54 H new ATOM 0 HD3 ARG A 86 5.779 -4.749 -8.874 1.00 20.54 H new ATOM 0 HE ARG A 86 4.855 -5.362 -11.576 1.00 61.32 H new ATOM 0 HH11 ARG A 86 7.377 -5.906 -9.168 1.00 2.02 H new ATOM 0 HH12 ARG A 86 8.609 -6.289 -10.375 1.00 2.02 H new ATOM 0 HH21 ARG A 86 6.442 -5.856 -13.122 1.00 3.22 H new ATOM 0 HH22 ARG A 86 8.082 -6.261 -12.604 1.00 3.22 H new ATOM 461 N GLU A 87 3.439 -9.044 -6.094 1.00 62.24 N ATOM 462 CA GLU A 87 3.860 -10.407 -5.793 1.00 62.44 C ATOM 463 C GLU A 87 3.942 -11.245 -7.066 1.00 72.32 C ATOM 464 O GLU A 87 3.123 -11.097 -7.973 1.00 35.51 O ATOM 465 CB GLU A 87 2.891 -11.057 -4.803 1.00 65.22 C ATOM 466 CG GLU A 87 3.526 -12.148 -3.958 1.00 23.53 C ATOM 467 CD GLU A 87 2.512 -12.902 -3.119 1.00 54.45 C ATOM 468 OE1 GLU A 87 1.853 -12.263 -2.272 1.00 34.52 O ATOM 469 OE2 GLU A 87 2.376 -14.128 -3.311 1.00 25.14 O ATOM 0 H GLU A 87 2.447 -8.947 -6.313 1.00 62.24 H new ATOM 0 HA GLU A 87 4.852 -10.362 -5.343 1.00 62.44 H new ATOM 0 HB2 GLU A 87 2.487 -10.288 -4.145 1.00 65.22 H new ATOM 0 HB3 GLU A 87 2.050 -11.479 -5.354 1.00 65.22 H new ATOM 0 HG2 GLU A 87 4.047 -12.850 -4.609 1.00 23.53 H new ATOM 0 HG3 GLU A 87 4.276 -11.705 -3.303 1.00 23.53 H new ATOM 476 N SER A 88 4.937 -12.125 -7.126 1.00 14.21 N ATOM 477 CA SER A 88 5.129 -12.984 -8.289 1.00 12.44 C ATOM 478 C SER A 88 4.113 -14.121 -8.298 1.00 35.44 C ATOM 479 O SER A 88 3.666 -14.576 -7.245 1.00 73.32 O ATOM 480 CB SER A 88 6.549 -13.553 -8.299 1.00 52.14 C ATOM 481 OG SER A 88 7.328 -12.959 -9.323 1.00 64.32 O ATOM 0 H SER A 88 5.622 -12.262 -6.383 1.00 14.21 H new ATOM 0 HA SER A 88 4.980 -12.381 -9.185 1.00 12.44 H new ATOM 0 HB2 SER A 88 7.021 -13.380 -7.332 1.00 52.14 H new ATOM 0 HB3 SER A 88 6.511 -14.632 -8.446 1.00 52.14 H new ATOM 0 HG SER A 88 8.232 -13.338 -9.308 1.00 64.32 H new ATOM 487 N GLU A 89 3.753 -14.576 -9.494 1.00 55.30 N ATOM 488 CA GLU A 89 2.788 -15.660 -9.640 1.00 43.34 C ATOM 489 C GLU A 89 3.482 -17.017 -9.576 1.00 21.33 C ATOM 490 O GLU A 89 2.963 -17.964 -8.984 1.00 61.03 O ATOM 491 CB GLU A 89 2.032 -15.524 -10.963 1.00 53.14 C ATOM 492 CG GLU A 89 2.904 -15.063 -12.119 1.00 0.11 C ATOM 493 CD GLU A 89 2.204 -15.175 -13.459 1.00 61.43 C ATOM 494 OE1 GLU A 89 1.636 -16.251 -13.743 1.00 22.11 O ATOM 495 OE2 GLU A 89 2.224 -14.189 -14.224 1.00 42.15 O ATOM 0 H GLU A 89 4.115 -14.211 -10.375 1.00 55.30 H new ATOM 0 HA GLU A 89 2.078 -15.594 -8.816 1.00 43.34 H new ATOM 0 HB2 GLU A 89 1.586 -16.485 -11.217 1.00 53.14 H new ATOM 0 HB3 GLU A 89 1.213 -14.817 -10.832 1.00 53.14 H new ATOM 0 HG2 GLU A 89 3.201 -14.027 -11.954 1.00 0.11 H new ATOM 0 HG3 GLU A 89 3.817 -15.658 -12.140 1.00 0.11 H new ATOM 502 N SER A 90 4.658 -17.104 -10.189 1.00 22.12 N ATOM 503 CA SER A 90 5.422 -18.346 -10.205 1.00 71.33 C ATOM 504 C SER A 90 6.321 -18.448 -8.977 1.00 13.33 C ATOM 505 O SER A 90 6.941 -19.482 -8.732 1.00 4.31 O ATOM 506 CB SER A 90 6.267 -18.434 -11.478 1.00 14.52 C ATOM 507 OG SER A 90 6.881 -19.705 -11.596 1.00 73.12 O ATOM 0 H SER A 90 5.103 -16.329 -10.681 1.00 22.12 H new ATOM 0 HA SER A 90 4.717 -19.177 -10.187 1.00 71.33 H new ATOM 0 HB2 SER A 90 5.638 -18.248 -12.349 1.00 14.52 H new ATOM 0 HB3 SER A 90 7.032 -17.657 -11.465 1.00 14.52 H new ATOM 0 HG SER A 90 7.015 -20.088 -10.704 1.00 73.12 H new ATOM 513 N ALA A 91 6.385 -17.366 -8.207 1.00 52.14 N ATOM 514 CA ALA A 91 7.205 -17.332 -7.003 1.00 63.41 C ATOM 515 C ALA A 91 6.437 -16.730 -5.832 1.00 11.02 C ATOM 516 O ALA A 91 6.577 -15.551 -5.507 1.00 50.30 O ATOM 517 CB ALA A 91 8.484 -16.548 -7.257 1.00 40.04 C ATOM 0 H ALA A 91 5.878 -16.501 -8.396 1.00 52.14 H new ATOM 0 HA ALA A 91 7.466 -18.358 -6.743 1.00 63.41 H new ATOM 0 HB1 ALA A 91 9.087 -16.531 -6.349 1.00 40.04 H new ATOM 0 HB2 ALA A 91 9.049 -17.023 -8.059 1.00 40.04 H new ATOM 0 HB3 ALA A 91 8.234 -15.527 -7.546 1.00 40.04 H new ATOM 523 N PRO A 92 5.604 -17.556 -5.181 1.00 64.55 N ATOM 524 CA PRO A 92 4.797 -17.126 -4.036 1.00 20.50 C ATOM 525 C PRO A 92 5.646 -16.850 -2.800 1.00 33.24 C ATOM 526 O PRO A 92 6.507 -17.649 -2.435 1.00 22.21 O ATOM 527 CB PRO A 92 3.867 -18.317 -3.791 1.00 32.12 C ATOM 528 CG PRO A 92 4.601 -19.491 -4.341 1.00 53.13 C ATOM 529 CD PRO A 92 5.388 -18.974 -5.514 1.00 75.50 C ATOM 0 HA PRO A 92 4.272 -16.192 -4.235 1.00 20.50 H new ATOM 0 HB2 PRO A 92 3.657 -18.443 -2.729 1.00 32.12 H new ATOM 0 HB3 PRO A 92 2.908 -18.180 -4.291 1.00 32.12 H new ATOM 0 HG2 PRO A 92 5.260 -19.926 -3.590 1.00 53.13 H new ATOM 0 HG3 PRO A 92 3.909 -20.274 -4.650 1.00 53.13 H new ATOM 0 HD2 PRO A 92 6.331 -19.507 -5.632 1.00 75.50 H new ATOM 0 HD3 PRO A 92 4.839 -19.088 -6.448 1.00 75.50 H new ATOM 537 N GLY A 93 5.396 -15.713 -2.158 1.00 12.13 N ATOM 538 CA GLY A 93 6.145 -15.352 -0.969 1.00 25.04 C ATOM 539 C GLY A 93 7.218 -14.319 -1.251 1.00 25.21 C ATOM 540 O GLY A 93 7.799 -13.748 -0.327 1.00 74.51 O ATOM 0 H GLY A 93 4.688 -15.035 -2.440 1.00 12.13 H new ATOM 0 HA2 GLY A 93 5.460 -14.963 -0.216 1.00 25.04 H new ATOM 0 HA3 GLY A 93 6.607 -16.246 -0.549 1.00 25.04 H new ATOM 544 N ASP A 94 7.484 -14.079 -2.530 1.00 64.41 N ATOM 545 CA ASP A 94 8.496 -13.109 -2.932 1.00 12.41 C ATOM 546 C ASP A 94 7.900 -11.707 -3.018 1.00 32.00 C ATOM 547 O ASP A 94 6.686 -11.530 -2.912 1.00 40.33 O ATOM 548 CB ASP A 94 9.104 -13.501 -4.279 1.00 73.42 C ATOM 549 CG ASP A 94 10.599 -13.256 -4.334 1.00 12.35 C ATOM 550 OD1 ASP A 94 11.351 -14.043 -3.723 1.00 4.33 O ATOM 551 OD2 ASP A 94 11.016 -12.276 -4.986 1.00 41.11 O ATOM 0 H ASP A 94 7.013 -14.543 -3.307 1.00 64.41 H new ATOM 0 HA ASP A 94 9.281 -13.106 -2.176 1.00 12.41 H new ATOM 0 HB2 ASP A 94 8.904 -14.555 -4.471 1.00 73.42 H new ATOM 0 HB3 ASP A 94 8.617 -12.935 -5.073 1.00 73.42 H new ATOM 556 N PHE A 95 8.762 -10.714 -3.209 1.00 53.24 N ATOM 557 CA PHE A 95 8.321 -9.327 -3.308 1.00 32.25 C ATOM 558 C PHE A 95 9.164 -8.559 -4.320 1.00 44.35 C ATOM 559 O PHE A 95 10.382 -8.725 -4.384 1.00 24.23 O ATOM 560 CB PHE A 95 8.400 -8.646 -1.940 1.00 25.55 C ATOM 561 CG PHE A 95 7.203 -8.905 -1.071 1.00 12.13 C ATOM 562 CD1 PHE A 95 5.961 -8.394 -1.411 1.00 34.03 C ATOM 563 CD2 PHE A 95 7.319 -9.658 0.086 1.00 24.23 C ATOM 564 CE1 PHE A 95 4.856 -8.630 -0.614 1.00 23.34 C ATOM 565 CE2 PHE A 95 6.219 -9.898 0.887 1.00 72.10 C ATOM 566 CZ PHE A 95 4.986 -9.382 0.537 1.00 30.53 C ATOM 0 H PHE A 95 9.770 -10.844 -3.298 1.00 53.24 H new ATOM 0 HA PHE A 95 7.286 -9.325 -3.648 1.00 32.25 H new ATOM 0 HB2 PHE A 95 9.296 -8.990 -1.423 1.00 25.55 H new ATOM 0 HB3 PHE A 95 8.509 -7.571 -2.084 1.00 25.55 H new ATOM 0 HD1 PHE A 95 5.855 -7.804 -2.309 1.00 34.03 H new ATOM 0 HD2 PHE A 95 8.281 -10.062 0.365 1.00 24.23 H new ATOM 0 HE1 PHE A 95 3.893 -8.227 -0.891 1.00 23.34 H new ATOM 0 HE2 PHE A 95 6.323 -10.488 1.786 1.00 72.10 H new ATOM 0 HZ PHE A 95 4.125 -9.566 1.163 1.00 30.53 H new ATOM 576 N SER A 96 8.507 -7.717 -5.112 1.00 30.02 N ATOM 577 CA SER A 96 9.195 -6.926 -6.125 1.00 54.43 C ATOM 578 C SER A 96 8.662 -5.496 -6.152 1.00 73.34 C ATOM 579 O SER A 96 7.465 -5.271 -6.336 1.00 52.23 O ATOM 580 CB SER A 96 9.031 -7.569 -7.503 1.00 74.34 C ATOM 581 OG SER A 96 7.749 -8.158 -7.642 1.00 21.31 O ATOM 0 H SER A 96 7.499 -7.565 -5.071 1.00 30.02 H new ATOM 0 HA SER A 96 10.254 -6.896 -5.870 1.00 54.43 H new ATOM 0 HB2 SER A 96 9.175 -6.816 -8.278 1.00 74.34 H new ATOM 0 HB3 SER A 96 9.801 -8.327 -7.648 1.00 74.34 H new ATOM 0 HG SER A 96 7.669 -8.561 -8.532 1.00 21.31 H new ATOM 587 N LEU A 97 9.558 -4.534 -5.968 1.00 5.23 N ATOM 588 CA LEU A 97 9.180 -3.125 -5.971 1.00 3.13 C ATOM 589 C LEU A 97 9.221 -2.553 -7.384 1.00 74.23 C ATOM 590 O LEU A 97 10.187 -2.755 -8.119 1.00 63.30 O ATOM 591 CB LEU A 97 10.111 -2.325 -5.058 1.00 43.30 C ATOM 592 CG LEU A 97 9.876 -0.814 -5.017 1.00 60.43 C ATOM 593 CD1 LEU A 97 10.360 -0.164 -6.304 1.00 54.11 C ATOM 594 CD2 LEU A 97 8.403 -0.510 -4.784 1.00 63.14 C ATOM 0 H LEU A 97 10.552 -4.703 -5.815 1.00 5.23 H new ATOM 0 HA LEU A 97 8.159 -3.048 -5.597 1.00 3.13 H new ATOM 0 HB2 LEU A 97 10.016 -2.715 -4.045 1.00 43.30 H new ATOM 0 HB3 LEU A 97 11.139 -2.504 -5.374 1.00 43.30 H new ATOM 0 HG LEU A 97 10.448 -0.398 -4.187 1.00 60.43 H new ATOM 0 HD11 LEU A 97 10.185 0.911 -6.257 1.00 54.11 H new ATOM 0 HD12 LEU A 97 11.426 -0.353 -6.428 1.00 54.11 H new ATOM 0 HD13 LEU A 97 9.816 -0.584 -7.150 1.00 54.11 H new ATOM 0 HD21 LEU A 97 8.254 0.569 -4.758 1.00 63.14 H new ATOM 0 HD22 LEU A 97 7.811 -0.938 -5.593 1.00 63.14 H new ATOM 0 HD23 LEU A 97 8.088 -0.943 -3.835 1.00 63.14 H new ATOM 606 N SER A 98 8.165 -1.837 -7.758 1.00 0.13 N ATOM 607 CA SER A 98 8.079 -1.237 -9.084 1.00 11.21 C ATOM 608 C SER A 98 7.949 0.280 -8.986 1.00 54.24 C ATOM 609 O SER A 98 6.920 0.800 -8.555 1.00 14.12 O ATOM 610 CB SER A 98 6.888 -1.814 -9.852 1.00 1.03 C ATOM 611 OG SER A 98 7.282 -2.916 -10.651 1.00 2.21 O ATOM 0 H SER A 98 7.357 -1.659 -7.161 1.00 0.13 H new ATOM 0 HA SER A 98 8.997 -1.472 -9.622 1.00 11.21 H new ATOM 0 HB2 SER A 98 6.116 -2.128 -9.150 1.00 1.03 H new ATOM 0 HB3 SER A 98 6.450 -1.041 -10.483 1.00 1.03 H new ATOM 0 HG SER A 98 6.615 -3.066 -11.353 1.00 2.21 H new ATOM 617 N VAL A 99 9.000 0.985 -9.391 1.00 4.42 N ATOM 618 CA VAL A 99 9.005 2.443 -9.351 1.00 32.23 C ATOM 619 C VAL A 99 8.999 3.031 -10.757 1.00 13.30 C ATOM 620 O VAL A 99 9.601 2.477 -11.677 1.00 13.01 O ATOM 621 CB VAL A 99 10.230 2.979 -8.587 1.00 11.53 C ATOM 622 CG1 VAL A 99 10.826 4.179 -9.308 1.00 32.21 C ATOM 623 CG2 VAL A 99 9.851 3.340 -7.158 1.00 55.34 C ATOM 0 H VAL A 99 9.860 0.570 -9.751 1.00 4.42 H new ATOM 0 HA VAL A 99 8.098 2.749 -8.829 1.00 32.23 H new ATOM 0 HB VAL A 99 10.986 2.194 -8.551 1.00 11.53 H new ATOM 0 HG11 VAL A 99 11.690 4.544 -8.754 1.00 32.21 H new ATOM 0 HG12 VAL A 99 11.136 3.884 -10.310 1.00 32.21 H new ATOM 0 HG13 VAL A 99 10.079 4.970 -9.377 1.00 32.21 H new ATOM 0 HG21 VAL A 99 10.729 3.717 -6.633 1.00 55.34 H new ATOM 0 HG22 VAL A 99 9.078 4.108 -7.170 1.00 55.34 H new ATOM 0 HG23 VAL A 99 9.475 2.454 -6.646 1.00 55.34 H new ATOM 633 N LYS A 100 8.314 4.159 -10.917 1.00 65.15 N ATOM 634 CA LYS A 100 8.230 4.826 -12.211 1.00 63.24 C ATOM 635 C LYS A 100 9.239 5.967 -12.302 1.00 72.42 C ATOM 636 O LYS A 100 9.401 6.741 -11.359 1.00 44.21 O ATOM 637 CB LYS A 100 6.816 5.362 -12.441 1.00 15.34 C ATOM 638 CG LYS A 100 6.714 6.331 -13.606 1.00 11.42 C ATOM 639 CD LYS A 100 5.558 5.977 -14.526 1.00 51.43 C ATOM 640 CE LYS A 100 5.420 6.983 -15.659 1.00 74.22 C ATOM 641 NZ LYS A 100 4.915 8.298 -15.175 1.00 71.45 N ATOM 0 H LYS A 100 7.809 4.630 -10.166 1.00 65.15 H new ATOM 0 HA LYS A 100 8.465 4.095 -12.984 1.00 63.24 H new ATOM 0 HB2 LYS A 100 6.143 4.523 -12.617 1.00 15.34 H new ATOM 0 HB3 LYS A 100 6.474 5.860 -11.534 1.00 15.34 H new ATOM 0 HG2 LYS A 100 6.581 7.344 -13.227 1.00 11.42 H new ATOM 0 HG3 LYS A 100 7.646 6.321 -14.171 1.00 11.42 H new ATOM 0 HD2 LYS A 100 5.713 4.980 -14.940 1.00 51.43 H new ATOM 0 HD3 LYS A 100 4.632 5.944 -13.952 1.00 51.43 H new ATOM 0 HE2 LYS A 100 6.387 7.121 -16.142 1.00 74.22 H new ATOM 0 HE3 LYS A 100 4.740 6.588 -16.414 1.00 74.22 H new ATOM 0 HZ1 LYS A 100 4.383 8.767 -15.936 1.00 71.45 H new ATOM 0 HZ2 LYS A 100 4.291 8.150 -14.357 1.00 71.45 H new ATOM 0 HZ3 LYS A 100 5.718 8.896 -14.894 1.00 71.45 H new ATOM 655 N PHE A 101 9.913 6.065 -13.443 1.00 71.12 N ATOM 656 CA PHE A 101 10.905 7.112 -13.657 1.00 63.20 C ATOM 657 C PHE A 101 10.741 7.743 -15.037 1.00 4.05 C ATOM 658 O PHE A 101 11.281 7.249 -16.025 1.00 43.15 O ATOM 659 CB PHE A 101 12.318 6.543 -13.509 1.00 31.23 C ATOM 660 CG PHE A 101 12.739 6.349 -12.080 1.00 70.41 C ATOM 661 CD1 PHE A 101 12.597 7.372 -11.157 1.00 3.10 C ATOM 662 CD2 PHE A 101 13.277 5.143 -11.660 1.00 61.35 C ATOM 663 CE1 PHE A 101 12.983 7.197 -9.841 1.00 64.44 C ATOM 664 CE2 PHE A 101 13.665 4.961 -10.346 1.00 54.33 C ATOM 665 CZ PHE A 101 13.519 5.990 -9.436 1.00 33.20 C ATOM 0 H PHE A 101 9.790 5.432 -14.234 1.00 71.12 H new ATOM 0 HA PHE A 101 10.750 7.884 -12.903 1.00 63.20 H new ATOM 0 HB2 PHE A 101 12.372 5.586 -14.029 1.00 31.23 H new ATOM 0 HB3 PHE A 101 13.024 7.213 -14.000 1.00 31.23 H new ATOM 0 HD1 PHE A 101 12.180 8.318 -11.469 1.00 3.10 H new ATOM 0 HD2 PHE A 101 13.395 4.336 -12.368 1.00 61.35 H new ATOM 0 HE1 PHE A 101 12.866 8.002 -9.131 1.00 64.44 H new ATOM 0 HE2 PHE A 101 14.082 4.016 -10.031 1.00 54.33 H new ATOM 0 HZ PHE A 101 13.824 5.851 -8.409 1.00 33.20 H new ATOM 675 N GLY A 102 9.991 8.839 -15.094 1.00 54.00 N ATOM 676 CA GLY A 102 9.768 9.520 -16.356 1.00 14.00 C ATOM 677 C GLY A 102 9.039 8.652 -17.363 1.00 21.25 C ATOM 678 O GLY A 102 7.819 8.508 -17.300 1.00 30.24 O ATOM 0 H GLY A 102 9.534 9.267 -14.289 1.00 54.00 H new ATOM 0 HA2 GLY A 102 9.191 10.428 -16.178 1.00 14.00 H new ATOM 0 HA3 GLY A 102 10.727 9.828 -16.773 1.00 14.00 H new ATOM 682 N ASN A 103 9.789 8.073 -18.295 1.00 31.02 N ATOM 683 CA ASN A 103 9.206 7.216 -19.321 1.00 42.10 C ATOM 684 C ASN A 103 9.805 5.814 -19.263 1.00 71.12 C ATOM 685 O ASN A 103 9.846 5.104 -20.268 1.00 23.41 O ATOM 686 CB ASN A 103 9.430 7.822 -20.708 1.00 63.41 C ATOM 687 CG ASN A 103 8.137 7.984 -21.484 1.00 24.40 C ATOM 688 OD1 ASN A 103 7.056 8.059 -20.901 1.00 32.32 O ATOM 689 ND2 ASN A 103 8.244 8.038 -22.806 1.00 40.05 N ATOM 0 H ASN A 103 10.801 8.182 -18.361 1.00 31.02 H new ATOM 0 HA ASN A 103 8.135 7.142 -19.133 1.00 42.10 H new ATOM 0 HB2 ASN A 103 9.912 8.794 -20.603 1.00 63.41 H new ATOM 0 HB3 ASN A 103 10.113 7.187 -21.273 1.00 63.41 H new ATOM 0 HD21 ASN A 103 7.409 8.146 -23.381 1.00 40.05 H new ATOM 0 HD22 ASN A 103 9.162 7.972 -23.247 1.00 40.05 H new ATOM 696 N ASP A 104 10.267 5.422 -18.081 1.00 12.32 N ATOM 697 CA ASP A 104 10.862 4.105 -17.891 1.00 33.53 C ATOM 698 C ASP A 104 10.502 3.538 -16.521 1.00 14.22 C ATOM 699 O ASP A 104 10.908 4.074 -15.490 1.00 11.05 O ATOM 700 CB ASP A 104 12.382 4.181 -18.041 1.00 51.21 C ATOM 701 CG ASP A 104 12.807 5.115 -19.157 1.00 72.25 C ATOM 702 OD1 ASP A 104 12.621 4.752 -20.338 1.00 61.31 O ATOM 703 OD2 ASP A 104 13.324 6.209 -18.851 1.00 22.14 O ATOM 0 H ASP A 104 10.241 5.998 -17.240 1.00 12.32 H new ATOM 0 HA ASP A 104 10.462 3.440 -18.656 1.00 33.53 H new ATOM 0 HB2 ASP A 104 12.821 4.518 -17.102 1.00 51.21 H new ATOM 0 HB3 ASP A 104 12.775 3.183 -18.236 1.00 51.21 H new ATOM 708 N VAL A 105 9.736 2.452 -16.518 1.00 35.12 N ATOM 709 CA VAL A 105 9.320 1.813 -15.275 1.00 23.41 C ATOM 710 C VAL A 105 10.367 0.814 -14.794 1.00 61.02 C ATOM 711 O VAL A 105 10.562 -0.237 -15.404 1.00 33.10 O ATOM 712 CB VAL A 105 7.972 1.087 -15.440 1.00 70.44 C ATOM 713 CG1 VAL A 105 7.552 0.435 -14.132 1.00 23.33 C ATOM 714 CG2 VAL A 105 6.904 2.053 -15.931 1.00 20.51 C ATOM 0 H VAL A 105 9.391 1.996 -17.363 1.00 35.12 H new ATOM 0 HA VAL A 105 9.209 2.605 -14.534 1.00 23.41 H new ATOM 0 HB VAL A 105 8.091 0.302 -16.187 1.00 70.44 H new ATOM 0 HG11 VAL A 105 6.597 -0.073 -14.269 1.00 23.33 H new ATOM 0 HG12 VAL A 105 8.308 -0.289 -13.827 1.00 23.33 H new ATOM 0 HG13 VAL A 105 7.449 1.199 -13.361 1.00 23.33 H new ATOM 0 HG21 VAL A 105 5.958 1.523 -16.042 1.00 20.51 H new ATOM 0 HG22 VAL A 105 6.785 2.861 -15.209 1.00 20.51 H new ATOM 0 HG23 VAL A 105 7.203 2.467 -16.894 1.00 20.51 H new ATOM 724 N GLN A 106 11.038 1.150 -13.697 1.00 13.10 N ATOM 725 CA GLN A 106 12.065 0.282 -13.134 1.00 44.04 C ATOM 726 C GLN A 106 11.535 -0.474 -11.921 1.00 33.20 C ATOM 727 O GLN A 106 10.417 -0.231 -11.465 1.00 72.42 O ATOM 728 CB GLN A 106 13.296 1.101 -12.741 1.00 52.55 C ATOM 729 CG GLN A 106 13.670 2.164 -13.762 1.00 1.42 C ATOM 730 CD GLN A 106 15.017 2.799 -13.476 1.00 14.54 C ATOM 731 OE1 GLN A 106 15.698 3.274 -14.385 1.00 13.31 O ATOM 732 NE2 GLN A 106 15.408 2.812 -12.207 1.00 20.32 N ATOM 0 H GLN A 106 10.889 2.017 -13.181 1.00 13.10 H new ATOM 0 HA GLN A 106 12.348 -0.444 -13.896 1.00 44.04 H new ATOM 0 HB2 GLN A 106 13.111 1.581 -11.780 1.00 52.55 H new ATOM 0 HB3 GLN A 106 14.142 0.427 -12.604 1.00 52.55 H new ATOM 0 HG2 GLN A 106 13.687 1.718 -14.756 1.00 1.42 H new ATOM 0 HG3 GLN A 106 12.903 2.938 -13.773 1.00 1.42 H new ATOM 0 HE21 GLN A 106 14.812 2.407 -11.485 1.00 20.32 H new ATOM 0 HE22 GLN A 106 16.305 3.227 -11.954 1.00 20.32 H new ATOM 741 N HIS A 107 12.344 -1.393 -11.402 1.00 14.51 N ATOM 742 CA HIS A 107 11.955 -2.185 -10.240 1.00 42.24 C ATOM 743 C HIS A 107 13.185 -2.696 -9.495 1.00 52.44 C ATOM 744 O HIS A 107 14.300 -2.656 -10.016 1.00 52.40 O ATOM 745 CB HIS A 107 11.079 -3.362 -10.669 1.00 50.15 C ATOM 746 CG HIS A 107 11.375 -3.857 -12.052 1.00 3.33 C ATOM 747 ND1 HIS A 107 11.953 -5.083 -12.304 1.00 44.24 N ATOM 748 CD2 HIS A 107 11.169 -3.284 -13.260 1.00 54.44 C ATOM 749 CE1 HIS A 107 12.091 -5.242 -13.609 1.00 1.15 C ATOM 750 NE2 HIS A 107 11.622 -4.164 -14.211 1.00 60.35 N ATOM 0 H HIS A 107 13.272 -1.607 -11.767 1.00 14.51 H new ATOM 0 HA HIS A 107 11.385 -1.544 -9.568 1.00 42.24 H new ATOM 0 HB2 HIS A 107 11.214 -4.181 -9.962 1.00 50.15 H new ATOM 0 HB3 HIS A 107 10.032 -3.064 -10.615 1.00 50.15 H new ATOM 0 HD2 HIS A 107 10.730 -2.314 -13.442 1.00 54.44 H new ATOM 0 HE1 HIS A 107 12.515 -6.106 -14.099 1.00 1.15 H new ATOM 0 HE2 HIS A 107 11.600 -4.010 -15.219 1.00 60.35 H new ATOM 758 N PHE A 108 12.974 -3.175 -8.274 1.00 11.41 N ATOM 759 CA PHE A 108 14.065 -3.692 -7.457 1.00 3.45 C ATOM 760 C PHE A 108 13.713 -5.060 -6.881 1.00 14.02 C ATOM 761 O PHE A 108 12.607 -5.270 -6.381 1.00 61.44 O ATOM 762 CB PHE A 108 14.388 -2.716 -6.322 1.00 74.34 C ATOM 763 CG PHE A 108 14.853 -1.371 -6.803 1.00 33.25 C ATOM 764 CD1 PHE A 108 13.999 -0.540 -7.510 1.00 31.14 C ATOM 765 CD2 PHE A 108 16.144 -0.938 -6.547 1.00 71.32 C ATOM 766 CE1 PHE A 108 14.424 0.698 -7.953 1.00 14.54 C ATOM 767 CE2 PHE A 108 16.574 0.299 -6.987 1.00 50.22 C ATOM 768 CZ PHE A 108 15.713 1.118 -7.692 1.00 2.12 C ATOM 0 H PHE A 108 12.057 -3.216 -7.828 1.00 11.41 H new ATOM 0 HA PHE A 108 14.942 -3.801 -8.095 1.00 3.45 H new ATOM 0 HB2 PHE A 108 13.501 -2.585 -5.703 1.00 74.34 H new ATOM 0 HB3 PHE A 108 15.159 -3.152 -5.686 1.00 74.34 H new ATOM 0 HD1 PHE A 108 12.990 -0.864 -7.717 1.00 31.14 H new ATOM 0 HD2 PHE A 108 16.822 -1.575 -5.997 1.00 71.32 H new ATOM 0 HE1 PHE A 108 13.748 1.336 -8.503 1.00 14.54 H new ATOM 0 HE2 PHE A 108 17.582 0.626 -6.780 1.00 50.22 H new ATOM 0 HZ PHE A 108 16.048 2.085 -8.038 1.00 2.12 H new ATOM 778 N LYS A 109 14.660 -5.988 -6.955 1.00 23.31 N ATOM 779 CA LYS A 109 14.453 -7.337 -6.441 1.00 74.14 C ATOM 780 C LYS A 109 14.644 -7.379 -4.929 1.00 2.03 C ATOM 781 O LYS A 109 15.729 -7.094 -4.422 1.00 44.42 O ATOM 782 CB LYS A 109 15.417 -8.316 -7.116 1.00 12.24 C ATOM 783 CG LYS A 109 14.754 -9.204 -8.155 1.00 4.24 C ATOM 784 CD LYS A 109 14.845 -10.672 -7.773 1.00 0.21 C ATOM 785 CE LYS A 109 16.202 -11.258 -8.130 1.00 43.21 C ATOM 786 NZ LYS A 109 16.126 -12.724 -8.378 1.00 34.34 N ATOM 0 H LYS A 109 15.580 -5.831 -7.367 1.00 23.31 H new ATOM 0 HA LYS A 109 13.428 -7.632 -6.668 1.00 74.14 H new ATOM 0 HB2 LYS A 109 16.220 -7.753 -7.591 1.00 12.24 H new ATOM 0 HB3 LYS A 109 15.877 -8.944 -6.353 1.00 12.24 H new ATOM 0 HG2 LYS A 109 13.707 -8.920 -8.264 1.00 4.24 H new ATOM 0 HG3 LYS A 109 15.229 -9.049 -9.124 1.00 4.24 H new ATOM 0 HD2 LYS A 109 14.670 -10.782 -6.703 1.00 0.21 H new ATOM 0 HD3 LYS A 109 14.061 -11.231 -8.283 1.00 0.21 H new ATOM 0 HE2 LYS A 109 16.590 -10.759 -9.018 1.00 43.21 H new ATOM 0 HE3 LYS A 109 16.906 -11.063 -7.321 1.00 43.21 H new ATOM 0 HZ1 LYS A 109 17.071 -13.085 -8.618 1.00 34.34 H new ATOM 0 HZ2 LYS A 109 15.779 -13.203 -7.523 1.00 34.34 H new ATOM 0 HZ3 LYS A 109 15.474 -12.909 -9.167 1.00 34.34 H new ATOM 800 N VAL A 110 13.584 -7.738 -4.212 1.00 52.20 N ATOM 801 CA VAL A 110 13.636 -7.820 -2.757 1.00 43.33 C ATOM 802 C VAL A 110 13.947 -9.240 -2.298 1.00 13.34 C ATOM 803 O VAL A 110 13.303 -10.198 -2.728 1.00 2.04 O ATOM 804 CB VAL A 110 12.309 -7.364 -2.121 1.00 65.42 C ATOM 805 CG1 VAL A 110 12.279 -7.714 -0.641 1.00 40.11 C ATOM 806 CG2 VAL A 110 12.104 -5.872 -2.329 1.00 51.43 C ATOM 0 H VAL A 110 12.678 -7.977 -4.615 1.00 52.20 H new ATOM 0 HA VAL A 110 14.434 -7.153 -2.430 1.00 43.33 H new ATOM 0 HB VAL A 110 11.491 -7.891 -2.611 1.00 65.42 H new ATOM 0 HG11 VAL A 110 11.334 -7.384 -0.208 1.00 40.11 H new ATOM 0 HG12 VAL A 110 12.377 -8.793 -0.520 1.00 40.11 H new ATOM 0 HG13 VAL A 110 13.104 -7.216 -0.132 1.00 40.11 H new ATOM 0 HG21 VAL A 110 11.162 -5.567 -1.873 1.00 51.43 H new ATOM 0 HG22 VAL A 110 12.925 -5.324 -1.866 1.00 51.43 H new ATOM 0 HG23 VAL A 110 12.078 -5.654 -3.397 1.00 51.43 H new ATOM 816 N LEU A 111 14.936 -9.369 -1.421 1.00 4.41 N ATOM 817 CA LEU A 111 15.333 -10.673 -0.901 1.00 51.30 C ATOM 818 C LEU A 111 14.806 -10.877 0.516 1.00 63.21 C ATOM 819 O LEU A 111 14.598 -9.916 1.256 1.00 3.21 O ATOM 820 CB LEU A 111 16.857 -10.808 -0.915 1.00 54.45 C ATOM 821 CG LEU A 111 17.442 -11.688 -2.020 1.00 40.55 C ATOM 822 CD1 LEU A 111 17.238 -11.041 -3.382 1.00 23.01 C ATOM 823 CD2 LEU A 111 18.920 -11.949 -1.768 1.00 12.53 C ATOM 0 H LEU A 111 15.478 -8.586 -1.055 1.00 4.41 H new ATOM 0 HA LEU A 111 14.901 -11.440 -1.544 1.00 51.30 H new ATOM 0 HB2 LEU A 111 17.289 -9.811 -1.004 1.00 54.45 H new ATOM 0 HB3 LEU A 111 17.175 -11.208 0.048 1.00 54.45 H new ATOM 0 HG LEU A 111 16.918 -12.644 -2.012 1.00 40.55 H new ATOM 0 HD11 LEU A 111 17.661 -11.682 -4.156 1.00 23.01 H new ATOM 0 HD12 LEU A 111 16.172 -10.906 -3.565 1.00 23.01 H new ATOM 0 HD13 LEU A 111 17.735 -10.071 -3.402 1.00 23.01 H new ATOM 0 HD21 LEU A 111 19.320 -12.577 -2.564 1.00 12.53 H new ATOM 0 HD22 LEU A 111 19.459 -11.002 -1.748 1.00 12.53 H new ATOM 0 HD23 LEU A 111 19.042 -12.456 -0.811 1.00 12.53 H new ATOM 835 N ARG A 112 14.595 -12.136 0.887 1.00 11.42 N ATOM 836 CA ARG A 112 14.094 -12.466 2.216 1.00 72.33 C ATOM 837 C ARG A 112 14.770 -13.723 2.755 1.00 65.33 C ATOM 838 O ARG A 112 15.066 -14.652 2.003 1.00 71.32 O ATOM 839 CB ARG A 112 12.578 -12.667 2.177 1.00 72.12 C ATOM 840 CG ARG A 112 11.813 -11.443 1.701 1.00 2.54 C ATOM 841 CD ARG A 112 10.424 -11.811 1.204 1.00 64.43 C ATOM 842 NE ARG A 112 9.502 -12.079 2.304 1.00 52.32 N ATOM 843 CZ ARG A 112 9.310 -13.285 2.826 1.00 63.24 C ATOM 844 NH1 ARG A 112 9.974 -14.330 2.350 1.00 2.32 N ATOM 845 NH2 ARG A 112 8.454 -13.448 3.826 1.00 74.53 N ATOM 0 H ARG A 112 14.763 -12.943 0.287 1.00 11.42 H new ATOM 0 HA ARG A 112 14.327 -11.635 2.881 1.00 72.33 H new ATOM 0 HB2 ARG A 112 12.348 -13.506 1.521 1.00 72.12 H new ATOM 0 HB3 ARG A 112 12.230 -12.937 3.174 1.00 72.12 H new ATOM 0 HG2 ARG A 112 11.730 -10.725 2.517 1.00 2.54 H new ATOM 0 HG3 ARG A 112 12.369 -10.954 0.901 1.00 2.54 H new ATOM 0 HD2 ARG A 112 10.031 -10.999 0.592 1.00 64.43 H new ATOM 0 HD3 ARG A 112 10.489 -12.691 0.564 1.00 64.43 H new ATOM 0 HE ARG A 112 8.976 -11.296 2.693 1.00 52.32 H new ATOM 0 HH11 ARG A 112 10.634 -14.208 1.582 1.00 2.32 H new ATOM 0 HH12 ARG A 112 9.825 -15.255 2.752 1.00 2.32 H new ATOM 0 HH21 ARG A 112 7.942 -12.647 4.195 1.00 74.53 H new ATOM 0 HH22 ARG A 112 8.307 -14.375 4.226 1.00 74.53 H new ATOM 859 N ASP A 113 15.013 -13.744 4.061 1.00 63.34 N ATOM 860 CA ASP A 113 15.655 -14.887 4.701 1.00 54.03 C ATOM 861 C ASP A 113 14.617 -15.910 5.153 1.00 11.50 C ATOM 862 O ASP A 113 13.418 -15.724 4.949 1.00 31.20 O ATOM 863 CB ASP A 113 16.490 -14.426 5.896 1.00 31.43 C ATOM 864 CG ASP A 113 17.978 -14.608 5.668 1.00 55.24 C ATOM 865 OD1 ASP A 113 18.446 -14.313 4.548 1.00 63.11 O ATOM 866 OD2 ASP A 113 18.673 -15.044 6.608 1.00 2.44 O ATOM 0 H ASP A 113 14.775 -12.983 4.697 1.00 63.34 H new ATOM 0 HA ASP A 113 16.311 -15.361 3.971 1.00 54.03 H new ATOM 0 HB2 ASP A 113 16.282 -13.375 6.097 1.00 31.43 H new ATOM 0 HB3 ASP A 113 16.190 -14.985 6.782 1.00 31.43 H new ATOM 871 N GLY A 114 15.087 -16.991 5.768 1.00 43.41 N ATOM 872 CA GLY A 114 14.187 -18.027 6.238 1.00 22.23 C ATOM 873 C GLY A 114 13.659 -17.748 7.632 1.00 64.34 C ATOM 874 O GLY A 114 13.304 -18.671 8.364 1.00 24.13 O ATOM 0 H GLY A 114 16.075 -17.167 5.949 1.00 43.41 H new ATOM 0 HA2 GLY A 114 13.349 -18.117 5.547 1.00 22.23 H new ATOM 0 HA3 GLY A 114 14.707 -18.985 6.235 1.00 22.23 H new ATOM 878 N ALA A 115 13.609 -16.472 7.999 1.00 31.21 N ATOM 879 CA ALA A 115 13.120 -16.075 9.314 1.00 45.54 C ATOM 880 C ALA A 115 12.091 -14.955 9.201 1.00 22.03 C ATOM 881 O ALA A 115 11.083 -14.953 9.906 1.00 11.52 O ATOM 882 CB ALA A 115 14.280 -15.641 10.199 1.00 71.24 C ATOM 0 H ALA A 115 13.901 -15.696 7.405 1.00 31.21 H new ATOM 0 HA ALA A 115 12.632 -16.937 9.769 1.00 45.54 H new ATOM 0 HB1 ALA A 115 13.901 -15.347 11.178 1.00 71.24 H new ATOM 0 HB2 ALA A 115 14.979 -16.469 10.314 1.00 71.24 H new ATOM 0 HB3 ALA A 115 14.792 -14.795 9.739 1.00 71.24 H new ATOM 888 N GLY A 116 12.353 -14.004 8.310 1.00 10.40 N ATOM 889 CA GLY A 116 11.440 -12.891 8.123 1.00 61.13 C ATOM 890 C GLY A 116 12.154 -11.554 8.091 1.00 31.34 C ATOM 891 O GLY A 116 11.650 -10.560 8.613 1.00 15.14 O ATOM 0 H GLY A 116 13.181 -13.984 7.714 1.00 10.40 H new ATOM 0 HA2 GLY A 116 10.891 -13.028 7.192 1.00 61.13 H new ATOM 0 HA3 GLY A 116 10.706 -12.888 8.929 1.00 61.13 H new ATOM 895 N LYS A 117 13.333 -11.529 7.479 1.00 72.11 N ATOM 896 CA LYS A 117 14.119 -10.305 7.381 1.00 12.12 C ATOM 897 C LYS A 117 14.257 -9.861 5.928 1.00 32.44 C ATOM 898 O LYS A 117 14.708 -10.627 5.076 1.00 55.23 O ATOM 899 CB LYS A 117 15.505 -10.514 7.996 1.00 53.14 C ATOM 900 CG LYS A 117 15.545 -10.287 9.497 1.00 70.40 C ATOM 901 CD LYS A 117 14.761 -11.354 10.243 1.00 14.30 C ATOM 902 CE LYS A 117 15.684 -12.318 10.972 1.00 43.33 C ATOM 903 NZ LYS A 117 16.387 -11.661 12.109 1.00 54.55 N ATOM 0 H LYS A 117 13.766 -12.343 7.043 1.00 72.11 H new ATOM 0 HA LYS A 117 13.597 -9.523 7.933 1.00 12.12 H new ATOM 0 HB2 LYS A 117 15.839 -11.529 7.782 1.00 53.14 H new ATOM 0 HB3 LYS A 117 16.212 -9.838 7.516 1.00 53.14 H new ATOM 0 HG2 LYS A 117 16.580 -10.289 9.839 1.00 70.40 H new ATOM 0 HG3 LYS A 117 15.135 -9.304 9.728 1.00 70.40 H new ATOM 0 HD2 LYS A 117 14.090 -10.880 10.959 1.00 14.30 H new ATOM 0 HD3 LYS A 117 14.138 -11.907 9.540 1.00 14.30 H new ATOM 0 HE2 LYS A 117 15.106 -13.164 11.343 1.00 43.33 H new ATOM 0 HE3 LYS A 117 16.419 -12.716 10.272 1.00 43.33 H new ATOM 0 HZ1 LYS A 117 16.727 -12.386 12.772 1.00 54.55 H new ATOM 0 HZ2 LYS A 117 17.195 -11.115 11.748 1.00 54.55 H new ATOM 0 HZ3 LYS A 117 15.730 -11.023 12.601 1.00 54.55 H new ATOM 917 N TYR A 118 13.868 -8.621 5.654 1.00 73.43 N ATOM 918 CA TYR A 118 13.947 -8.077 4.304 1.00 43.34 C ATOM 919 C TYR A 118 15.290 -7.392 4.071 1.00 44.51 C ATOM 920 O TYR A 118 15.886 -6.836 4.995 1.00 73.24 O ATOM 921 CB TYR A 118 12.808 -7.085 4.063 1.00 12.02 C ATOM 922 CG TYR A 118 11.442 -7.732 4.017 1.00 51.34 C ATOM 923 CD1 TYR A 118 11.037 -8.466 2.909 1.00 52.35 C ATOM 924 CD2 TYR A 118 10.556 -7.608 5.080 1.00 62.11 C ATOM 925 CE1 TYR A 118 9.789 -9.058 2.861 1.00 5.11 C ATOM 926 CE2 TYR A 118 9.308 -8.198 5.042 1.00 73.02 C ATOM 927 CZ TYR A 118 8.929 -8.922 3.930 1.00 11.43 C ATOM 928 OH TYR A 118 7.685 -9.510 3.888 1.00 45.40 O ATOM 0 H TYR A 118 13.495 -7.974 6.349 1.00 73.43 H new ATOM 0 HA TYR A 118 13.854 -8.904 3.601 1.00 43.34 H new ATOM 0 HB2 TYR A 118 12.819 -6.334 4.852 1.00 12.02 H new ATOM 0 HB3 TYR A 118 12.985 -6.562 3.123 1.00 12.02 H new ATOM 0 HD1 TYR A 118 11.709 -8.576 2.071 1.00 52.35 H new ATOM 0 HD2 TYR A 118 10.848 -7.040 5.951 1.00 62.11 H new ATOM 0 HE1 TYR A 118 9.489 -9.624 1.991 1.00 5.11 H new ATOM 0 HE2 TYR A 118 8.632 -8.093 5.878 1.00 73.02 H new ATOM 0 HH TYR A 118 7.323 -9.445 2.980 1.00 45.40 H new ATOM 938 N PHE A 119 15.762 -7.435 2.829 1.00 11.42 N ATOM 939 CA PHE A 119 17.035 -6.819 2.473 1.00 52.21 C ATOM 940 C PHE A 119 17.207 -6.764 0.958 1.00 64.22 C ATOM 941 O PHE A 119 16.820 -7.690 0.243 1.00 12.25 O ATOM 942 CB PHE A 119 18.194 -7.594 3.102 1.00 4.01 C ATOM 943 CG PHE A 119 17.859 -9.024 3.416 1.00 11.14 C ATOM 944 CD1 PHE A 119 17.381 -9.870 2.429 1.00 21.41 C ATOM 945 CD2 PHE A 119 18.021 -9.521 4.699 1.00 30.35 C ATOM 946 CE1 PHE A 119 17.072 -11.187 2.715 1.00 52.11 C ATOM 947 CE2 PHE A 119 17.714 -10.837 4.991 1.00 12.11 C ATOM 948 CZ PHE A 119 17.237 -11.670 3.998 1.00 64.40 C ATOM 0 H PHE A 119 15.282 -7.890 2.052 1.00 11.42 H new ATOM 0 HA PHE A 119 17.038 -5.799 2.858 1.00 52.21 H new ATOM 0 HB2 PHE A 119 19.047 -7.570 2.424 1.00 4.01 H new ATOM 0 HB3 PHE A 119 18.501 -7.091 4.019 1.00 4.01 H new ATOM 0 HD1 PHE A 119 17.248 -9.497 1.424 1.00 21.41 H new ATOM 0 HD2 PHE A 119 18.391 -8.873 5.480 1.00 30.35 H new ATOM 0 HE1 PHE A 119 16.702 -11.837 1.936 1.00 52.11 H new ATOM 0 HE2 PHE A 119 17.847 -11.213 5.995 1.00 12.11 H new ATOM 0 HZ PHE A 119 16.993 -12.697 4.225 1.00 64.40 H new ATOM 958 N LEU A 120 17.791 -5.673 0.474 1.00 20.40 N ATOM 959 CA LEU A 120 18.015 -5.496 -0.957 1.00 23.15 C ATOM 960 C LEU A 120 19.499 -5.604 -1.293 1.00 22.05 C ATOM 961 O LEU A 120 19.937 -6.575 -1.911 1.00 14.52 O ATOM 962 CB LEU A 120 17.475 -4.140 -1.413 1.00 74.14 C ATOM 963 CG LEU A 120 17.295 -3.963 -2.922 1.00 2.45 C ATOM 964 CD1 LEU A 120 15.934 -4.478 -3.361 1.00 53.04 C ATOM 965 CD2 LEU A 120 17.465 -2.501 -3.311 1.00 25.35 C ATOM 0 H LEU A 120 18.118 -4.898 1.051 1.00 20.40 H new ATOM 0 HA LEU A 120 17.483 -6.288 -1.484 1.00 23.15 H new ATOM 0 HB2 LEU A 120 16.512 -3.974 -0.930 1.00 74.14 H new ATOM 0 HB3 LEU A 120 18.150 -3.363 -1.054 1.00 74.14 H new ATOM 0 HG LEU A 120 18.063 -4.546 -3.431 1.00 2.45 H new ATOM 0 HD11 LEU A 120 15.824 -4.344 -4.437 1.00 53.04 H new ATOM 0 HD12 LEU A 120 15.850 -5.537 -3.117 1.00 53.04 H new ATOM 0 HD13 LEU A 120 15.151 -3.923 -2.844 1.00 53.04 H new ATOM 0 HD21 LEU A 120 17.334 -2.393 -4.388 1.00 25.35 H new ATOM 0 HD22 LEU A 120 16.720 -1.898 -2.792 1.00 25.35 H new ATOM 0 HD23 LEU A 120 18.463 -2.164 -3.032 1.00 25.35 H new ATOM 977 N TRP A 121 20.268 -4.603 -0.880 1.00 20.04 N ATOM 978 CA TRP A 121 21.704 -4.587 -1.135 1.00 51.31 C ATOM 979 C TRP A 121 22.348 -3.337 -0.545 1.00 54.34 C ATOM 980 O TRP A 121 23.515 -3.353 -0.155 1.00 10.12 O ATOM 981 CB TRP A 121 21.976 -4.655 -2.639 1.00 10.43 C ATOM 982 CG TRP A 121 21.470 -3.459 -3.388 1.00 63.34 C ATOM 983 CD1 TRP A 121 20.346 -2.735 -3.113 1.00 53.04 C ATOM 984 CD2 TRP A 121 22.071 -2.851 -4.537 1.00 74.32 C ATOM 985 NE1 TRP A 121 20.211 -1.713 -4.022 1.00 74.33 N ATOM 986 CE2 TRP A 121 21.256 -1.762 -4.906 1.00 24.44 C ATOM 987 CE3 TRP A 121 23.217 -3.119 -5.289 1.00 65.33 C ATOM 988 CZ2 TRP A 121 21.554 -0.945 -5.993 1.00 31.30 C ATOM 989 CZ3 TRP A 121 23.511 -2.308 -6.368 1.00 41.44 C ATOM 990 CH2 TRP A 121 22.683 -1.231 -6.712 1.00 12.13 C ATOM 0 H TRP A 121 19.922 -3.792 -0.367 1.00 20.04 H new ATOM 0 HA TRP A 121 22.143 -5.461 -0.653 1.00 51.31 H new ATOM 0 HB2 TRP A 121 23.049 -4.750 -2.803 1.00 10.43 H new ATOM 0 HB3 TRP A 121 21.510 -5.553 -3.045 1.00 10.43 H new ATOM 0 HD1 TRP A 121 19.663 -2.936 -2.301 1.00 53.04 H new ATOM 0 HE1 TRP A 121 19.455 -1.029 -4.036 1.00 74.33 H new ATOM 0 HE3 TRP A 121 23.862 -3.946 -5.031 1.00 65.33 H new ATOM 0 HZ2 TRP A 121 20.917 -0.115 -6.260 1.00 31.30 H new ATOM 0 HZ3 TRP A 121 24.394 -2.507 -6.957 1.00 41.44 H new ATOM 0 HH2 TRP A 121 22.941 -0.615 -7.561 1.00 12.13 H new ATOM 1001 N VAL A 122 21.579 -2.254 -0.483 1.00 44.43 N ATOM 1002 CA VAL A 122 22.075 -0.995 0.060 1.00 0.14 C ATOM 1003 C VAL A 122 21.446 -0.696 1.417 1.00 71.44 C ATOM 1004 O VAL A 122 21.887 0.202 2.133 1.00 14.33 O ATOM 1005 CB VAL A 122 21.791 0.180 -0.895 1.00 31.33 C ATOM 1006 CG1 VAL A 122 22.686 0.099 -2.122 1.00 30.32 C ATOM 1007 CG2 VAL A 122 20.323 0.197 -1.295 1.00 45.21 C ATOM 0 H VAL A 122 20.611 -2.224 -0.802 1.00 44.43 H new ATOM 0 HA VAL A 122 23.153 -1.105 0.178 1.00 0.14 H new ATOM 0 HB VAL A 122 22.013 1.112 -0.374 1.00 31.33 H new ATOM 0 HG11 VAL A 122 22.471 0.937 -2.785 1.00 30.32 H new ATOM 0 HG12 VAL A 122 23.731 0.139 -1.814 1.00 30.32 H new ATOM 0 HG13 VAL A 122 22.498 -0.837 -2.648 1.00 30.32 H new ATOM 0 HG21 VAL A 122 20.139 1.033 -1.970 1.00 45.21 H new ATOM 0 HG22 VAL A 122 20.072 -0.737 -1.798 1.00 45.21 H new ATOM 0 HG23 VAL A 122 19.704 0.307 -0.404 1.00 45.21 H new ATOM 1017 N VAL A 123 20.412 -1.457 1.764 1.00 44.03 N ATOM 1018 CA VAL A 123 19.723 -1.276 3.035 1.00 14.53 C ATOM 1019 C VAL A 123 19.024 -2.559 3.469 1.00 14.04 C ATOM 1020 O VAL A 123 18.611 -3.367 2.637 1.00 43.02 O ATOM 1021 CB VAL A 123 18.684 -0.141 2.954 1.00 42.23 C ATOM 1022 CG1 VAL A 123 17.393 -0.642 2.325 1.00 63.43 C ATOM 1023 CG2 VAL A 123 18.423 0.442 4.334 1.00 10.13 C ATOM 0 H VAL A 123 20.034 -2.204 1.182 1.00 44.03 H new ATOM 0 HA VAL A 123 20.482 -1.012 3.771 1.00 14.53 H new ATOM 0 HB VAL A 123 19.085 0.650 2.321 1.00 42.23 H new ATOM 0 HG11 VAL A 123 16.672 0.174 2.276 1.00 63.43 H new ATOM 0 HG12 VAL A 123 17.596 -1.007 1.318 1.00 63.43 H new ATOM 0 HG13 VAL A 123 16.984 -1.452 2.929 1.00 63.43 H new ATOM 0 HG21 VAL A 123 17.687 1.242 4.258 1.00 10.13 H new ATOM 0 HG22 VAL A 123 18.043 -0.339 4.993 1.00 10.13 H new ATOM 0 HG23 VAL A 123 19.352 0.841 4.742 1.00 10.13 H new ATOM 1033 N LYS A 124 18.893 -2.741 4.779 1.00 13.10 N ATOM 1034 CA LYS A 124 18.242 -3.925 5.326 1.00 33.41 C ATOM 1035 C LYS A 124 17.253 -3.545 6.423 1.00 11.14 C ATOM 1036 O LYS A 124 17.439 -2.549 7.122 1.00 10.53 O ATOM 1037 CB LYS A 124 19.287 -4.896 5.881 1.00 75.43 C ATOM 1038 CG LYS A 124 20.085 -4.332 7.043 1.00 32.21 C ATOM 1039 CD LYS A 124 21.521 -4.828 7.026 1.00 30.22 C ATOM 1040 CE LYS A 124 22.491 -3.742 7.467 1.00 71.53 C ATOM 1041 NZ LYS A 124 23.309 -4.170 8.635 1.00 21.41 N ATOM 0 H LYS A 124 19.230 -2.083 5.482 1.00 13.10 H new ATOM 0 HA LYS A 124 17.693 -4.412 4.520 1.00 33.41 H new ATOM 0 HB2 LYS A 124 18.787 -5.809 6.204 1.00 75.43 H new ATOM 0 HB3 LYS A 124 19.973 -5.174 5.081 1.00 75.43 H new ATOM 0 HG2 LYS A 124 20.075 -3.243 6.998 1.00 32.21 H new ATOM 0 HG3 LYS A 124 19.612 -4.617 7.983 1.00 32.21 H new ATOM 0 HD2 LYS A 124 21.617 -5.692 7.684 1.00 30.22 H new ATOM 0 HD3 LYS A 124 21.780 -5.162 6.021 1.00 30.22 H new ATOM 0 HE2 LYS A 124 23.149 -3.484 6.637 1.00 71.53 H new ATOM 0 HE3 LYS A 124 21.935 -2.841 7.724 1.00 71.53 H new ATOM 0 HZ1 LYS A 124 23.957 -3.403 8.905 1.00 21.41 H new ATOM 0 HZ2 LYS A 124 22.683 -4.392 9.435 1.00 21.41 H new ATOM 0 HZ3 LYS A 124 23.860 -5.015 8.382 1.00 21.41 H new ATOM 1055 N PHE A 125 16.202 -4.345 6.570 1.00 22.23 N ATOM 1056 CA PHE A 125 15.184 -4.092 7.583 1.00 23.34 C ATOM 1057 C PHE A 125 14.507 -5.391 8.010 1.00 22.42 C ATOM 1058 O PHE A 125 14.777 -6.456 7.455 1.00 55.50 O ATOM 1059 CB PHE A 125 14.139 -3.110 7.052 1.00 13.30 C ATOM 1060 CG PHE A 125 14.525 -1.669 7.230 1.00 71.11 C ATOM 1061 CD1 PHE A 125 14.623 -1.116 8.496 1.00 3.14 C ATOM 1062 CD2 PHE A 125 14.790 -0.868 6.131 1.00 61.43 C ATOM 1063 CE1 PHE A 125 14.978 0.210 8.663 1.00 74.43 C ATOM 1064 CE2 PHE A 125 15.145 0.458 6.291 1.00 63.21 C ATOM 1065 CZ PHE A 125 15.240 0.997 7.559 1.00 42.13 C ATOM 0 H PHE A 125 16.033 -5.174 6.000 1.00 22.23 H new ATOM 0 HA PHE A 125 15.674 -3.655 8.453 1.00 23.34 H new ATOM 0 HB2 PHE A 125 13.974 -3.305 5.992 1.00 13.30 H new ATOM 0 HB3 PHE A 125 13.192 -3.290 7.561 1.00 13.30 H new ATOM 0 HD1 PHE A 125 14.420 -1.727 9.363 1.00 3.14 H new ATOM 0 HD2 PHE A 125 14.718 -1.285 5.137 1.00 61.43 H new ATOM 0 HE1 PHE A 125 15.050 0.630 9.656 1.00 74.43 H new ATOM 0 HE2 PHE A 125 15.348 1.072 5.426 1.00 63.21 H new ATOM 0 HZ PHE A 125 15.519 2.033 7.687 1.00 42.13 H new ATOM 1075 N ASN A 126 13.627 -5.295 9.001 1.00 11.13 N ATOM 1076 CA ASN A 126 12.911 -6.462 9.504 1.00 4.04 C ATOM 1077 C ASN A 126 11.572 -6.627 8.793 1.00 71.20 C ATOM 1078 O ASN A 126 11.111 -7.746 8.568 1.00 35.13 O ATOM 1079 CB ASN A 126 12.689 -6.338 11.013 1.00 35.30 C ATOM 1080 CG ASN A 126 13.989 -6.198 11.780 1.00 22.20 C ATOM 1081 OD1 ASN A 126 14.825 -7.102 11.777 1.00 30.11 O ATOM 1082 ND2 ASN A 126 14.166 -5.061 12.442 1.00 13.33 N ATOM 0 H ASN A 126 13.392 -4.421 9.472 1.00 11.13 H new ATOM 0 HA ASN A 126 13.519 -7.345 9.304 1.00 4.04 H new ATOM 0 HB2 ASN A 126 12.057 -5.473 11.214 1.00 35.30 H new ATOM 0 HB3 ASN A 126 12.152 -7.216 11.372 1.00 35.30 H new ATOM 0 HD21 ASN A 126 15.022 -4.910 12.976 1.00 13.33 H new ATOM 0 HD22 ASN A 126 13.446 -4.339 12.417 1.00 13.33 H new ATOM 1089 N SER A 127 10.953 -5.505 8.441 1.00 72.05 N ATOM 1090 CA SER A 127 9.665 -5.525 7.757 1.00 13.23 C ATOM 1091 C SER A 127 9.726 -4.727 6.459 1.00 44.44 C ATOM 1092 O SER A 127 10.712 -4.040 6.184 1.00 33.20 O ATOM 1093 CB SER A 127 8.573 -4.958 8.666 1.00 13.24 C ATOM 1094 OG SER A 127 8.181 -5.905 9.645 1.00 5.34 O ATOM 0 H SER A 127 11.322 -4.571 8.618 1.00 72.05 H new ATOM 0 HA SER A 127 9.426 -6.561 7.515 1.00 13.23 H new ATOM 0 HB2 SER A 127 8.936 -4.054 9.155 1.00 13.24 H new ATOM 0 HB3 SER A 127 7.709 -4.671 8.066 1.00 13.24 H new ATOM 0 HG SER A 127 7.484 -5.518 10.214 1.00 5.34 H new ATOM 1100 N LEU A 128 8.667 -4.821 5.663 1.00 61.54 N ATOM 1101 CA LEU A 128 8.599 -4.109 4.392 1.00 52.34 C ATOM 1102 C LEU A 128 8.367 -2.618 4.615 1.00 12.22 C ATOM 1103 O LEU A 128 9.207 -1.790 4.266 1.00 52.22 O ATOM 1104 CB LEU A 128 7.481 -4.685 3.520 1.00 25.34 C ATOM 1105 CG LEU A 128 7.862 -5.880 2.645 1.00 53.11 C ATOM 1106 CD1 LEU A 128 6.706 -6.263 1.733 1.00 1.14 C ATOM 1107 CD2 LEU A 128 9.107 -5.567 1.828 1.00 71.41 C ATOM 0 H LEU A 128 7.843 -5.384 5.875 1.00 61.54 H new ATOM 0 HA LEU A 128 9.553 -4.238 3.881 1.00 52.34 H new ATOM 0 HB2 LEU A 128 6.658 -4.983 4.169 1.00 25.34 H new ATOM 0 HB3 LEU A 128 7.106 -3.892 2.874 1.00 25.34 H new ATOM 0 HG LEU A 128 8.082 -6.727 3.295 1.00 53.11 H new ATOM 0 HD11 LEU A 128 6.995 -7.115 1.118 1.00 1.14 H new ATOM 0 HD12 LEU A 128 5.839 -6.529 2.337 1.00 1.14 H new ATOM 0 HD13 LEU A 128 6.455 -5.419 1.090 1.00 1.14 H new ATOM 0 HD21 LEU A 128 9.364 -6.428 1.211 1.00 71.41 H new ATOM 0 HD22 LEU A 128 8.915 -4.706 1.187 1.00 71.41 H new ATOM 0 HD23 LEU A 128 9.936 -5.342 2.499 1.00 71.41 H new ATOM 1119 N ASN A 129 7.222 -2.284 5.202 1.00 51.32 N ATOM 1120 CA ASN A 129 6.880 -0.892 5.474 1.00 61.31 C ATOM 1121 C ASN A 129 8.113 -0.103 5.902 1.00 45.21 C ATOM 1122 O ASN A 129 8.245 1.080 5.588 1.00 35.22 O ATOM 1123 CB ASN A 129 5.807 -0.812 6.562 1.00 71.45 C ATOM 1124 CG ASN A 129 6.240 -1.481 7.852 1.00 62.44 C ATOM 1125 OD1 ASN A 129 6.800 -0.839 8.740 1.00 44.54 O ATOM 1126 ND2 ASN A 129 5.982 -2.780 7.960 1.00 3.43 N ATOM 0 H ASN A 129 6.516 -2.958 5.498 1.00 51.32 H new ATOM 0 HA ASN A 129 6.490 -0.453 4.555 1.00 61.31 H new ATOM 0 HB2 ASN A 129 5.571 0.234 6.760 1.00 71.45 H new ATOM 0 HB3 ASN A 129 4.892 -1.282 6.201 1.00 71.45 H new ATOM 0 HD21 ASN A 129 6.251 -3.285 8.805 1.00 3.43 H new ATOM 0 HD22 ASN A 129 5.515 -3.272 7.198 1.00 3.43 H new ATOM 1133 N GLU A 130 9.015 -0.766 6.619 1.00 33.34 N ATOM 1134 CA GLU A 130 10.237 -0.126 7.090 1.00 2.11 C ATOM 1135 C GLU A 130 11.156 0.218 5.921 1.00 21.14 C ATOM 1136 O GLU A 130 11.705 1.318 5.851 1.00 2.33 O ATOM 1137 CB GLU A 130 10.969 -1.037 8.078 1.00 61.34 C ATOM 1138 CG GLU A 130 10.325 -1.086 9.453 1.00 71.42 C ATOM 1139 CD GLU A 130 10.414 0.238 10.187 1.00 64.44 C ATOM 1140 OE1 GLU A 130 11.421 0.952 10.001 1.00 3.43 O ATOM 1141 OE2 GLU A 130 9.476 0.559 10.946 1.00 25.42 O ATOM 0 H GLU A 130 8.922 -1.746 6.886 1.00 33.34 H new ATOM 0 HA GLU A 130 9.960 0.799 7.597 1.00 2.11 H new ATOM 0 HB2 GLU A 130 11.008 -2.046 7.668 1.00 61.34 H new ATOM 0 HB3 GLU A 130 11.999 -0.695 8.180 1.00 61.34 H new ATOM 0 HG2 GLU A 130 9.278 -1.370 9.350 1.00 71.42 H new ATOM 0 HG3 GLU A 130 10.808 -1.861 10.049 1.00 71.42 H new ATOM 1148 N LEU A 131 11.319 -0.731 5.006 1.00 3.10 N ATOM 1149 CA LEU A 131 12.172 -0.530 3.840 1.00 60.05 C ATOM 1150 C LEU A 131 11.643 0.604 2.967 1.00 22.12 C ATOM 1151 O LEU A 131 12.380 1.524 2.613 1.00 41.31 O ATOM 1152 CB LEU A 131 12.262 -1.819 3.021 1.00 70.10 C ATOM 1153 CG LEU A 131 13.602 -2.086 2.335 1.00 71.25 C ATOM 1154 CD1 LEU A 131 14.272 -3.314 2.931 1.00 73.51 C ATOM 1155 CD2 LEU A 131 13.408 -2.257 0.835 1.00 62.41 C ATOM 0 H LEU A 131 10.872 -1.647 5.049 1.00 3.10 H new ATOM 0 HA LEU A 131 13.168 -0.259 4.192 1.00 60.05 H new ATOM 0 HB2 LEU A 131 12.039 -2.660 3.678 1.00 70.10 H new ATOM 0 HB3 LEU A 131 11.484 -1.796 2.258 1.00 70.10 H new ATOM 0 HG LEU A 131 14.251 -1.227 2.502 1.00 71.25 H new ATOM 0 HD11 LEU A 131 15.224 -3.488 2.430 1.00 73.51 H new ATOM 0 HD12 LEU A 131 14.446 -3.153 3.995 1.00 73.51 H new ATOM 0 HD13 LEU A 131 13.627 -4.182 2.796 1.00 73.51 H new ATOM 0 HD21 LEU A 131 14.372 -2.446 0.363 1.00 62.41 H new ATOM 0 HD22 LEU A 131 12.741 -3.098 0.648 1.00 62.41 H new ATOM 0 HD23 LEU A 131 12.972 -1.349 0.419 1.00 62.41 H new ATOM 1167 N VAL A 132 10.361 0.532 2.626 1.00 55.24 N ATOM 1168 CA VAL A 132 9.732 1.554 1.798 1.00 55.24 C ATOM 1169 C VAL A 132 9.940 2.944 2.388 1.00 51.44 C ATOM 1170 O VAL A 132 10.207 3.904 1.663 1.00 32.45 O ATOM 1171 CB VAL A 132 8.221 1.297 1.639 1.00 22.10 C ATOM 1172 CG1 VAL A 132 7.975 0.106 0.725 1.00 3.11 C ATOM 1173 CG2 VAL A 132 7.573 1.079 2.998 1.00 53.42 C ATOM 0 H VAL A 132 9.737 -0.223 2.910 1.00 55.24 H new ATOM 0 HA VAL A 132 10.207 1.503 0.818 1.00 55.24 H new ATOM 0 HB VAL A 132 7.766 2.176 1.181 1.00 22.10 H new ATOM 0 HG11 VAL A 132 6.902 -0.060 0.625 1.00 3.11 H new ATOM 0 HG12 VAL A 132 8.405 0.306 -0.257 1.00 3.11 H new ATOM 0 HG13 VAL A 132 8.441 -0.782 1.151 1.00 3.11 H new ATOM 0 HG21 VAL A 132 6.506 0.899 2.868 1.00 53.42 H new ATOM 0 HG22 VAL A 132 8.030 0.217 3.485 1.00 53.42 H new ATOM 0 HG23 VAL A 132 7.719 1.964 3.617 1.00 53.42 H new ATOM 1183 N ASP A 133 9.817 3.046 3.706 1.00 33.24 N ATOM 1184 CA ASP A 133 9.993 4.319 4.395 1.00 1.01 C ATOM 1185 C ASP A 133 11.408 4.854 4.195 1.00 74.14 C ATOM 1186 O ASP A 133 11.606 5.892 3.563 1.00 12.22 O ATOM 1187 CB ASP A 133 9.701 4.160 5.888 1.00 5.31 C ATOM 1188 CG ASP A 133 8.733 5.207 6.403 1.00 23.14 C ATOM 1189 OD1 ASP A 133 8.964 6.406 6.144 1.00 12.43 O ATOM 1190 OD2 ASP A 133 7.745 4.827 7.067 1.00 65.45 O ATOM 0 H ASP A 133 9.596 2.262 4.320 1.00 33.24 H new ATOM 0 HA ASP A 133 9.290 5.035 3.969 1.00 1.01 H new ATOM 0 HB2 ASP A 133 9.289 3.167 6.071 1.00 5.31 H new ATOM 0 HB3 ASP A 133 10.634 4.226 6.447 1.00 5.31 H new ATOM 1195 N TYR A 134 12.387 4.139 4.737 1.00 41.03 N ATOM 1196 CA TYR A 134 13.783 4.544 4.620 1.00 21.44 C ATOM 1197 C TYR A 134 14.102 4.998 3.200 1.00 40.45 C ATOM 1198 O TYR A 134 14.684 6.064 2.992 1.00 62.41 O ATOM 1199 CB TYR A 134 14.705 3.389 5.017 1.00 1.44 C ATOM 1200 CG TYR A 134 16.175 3.734 4.937 1.00 62.41 C ATOM 1201 CD1 TYR A 134 16.886 3.562 3.755 1.00 14.33 C ATOM 1202 CD2 TYR A 134 16.854 4.231 6.043 1.00 53.32 C ATOM 1203 CE1 TYR A 134 18.229 3.875 3.678 1.00 71.23 C ATOM 1204 CE2 TYR A 134 18.197 4.548 5.974 1.00 73.11 C ATOM 1205 CZ TYR A 134 18.880 4.367 4.789 1.00 11.45 C ATOM 1206 OH TYR A 134 20.218 4.681 4.716 1.00 53.32 O ATOM 0 H TYR A 134 12.240 3.277 5.261 1.00 41.03 H new ATOM 0 HA TYR A 134 13.949 5.383 5.296 1.00 21.44 H new ATOM 0 HB2 TYR A 134 14.468 3.079 6.035 1.00 1.44 H new ATOM 0 HB3 TYR A 134 14.505 2.536 4.369 1.00 1.44 H new ATOM 0 HD1 TYR A 134 16.380 3.177 2.882 1.00 14.33 H new ATOM 0 HD2 TYR A 134 16.323 4.372 6.973 1.00 53.32 H new ATOM 0 HE1 TYR A 134 18.767 3.735 2.752 1.00 71.23 H new ATOM 0 HE2 TYR A 134 18.709 4.935 6.842 1.00 73.11 H new ATOM 0 HH TYR A 134 20.523 5.016 5.585 1.00 53.32 H new ATOM 1216 N HIS A 135 13.716 4.183 2.223 1.00 14.04 N ATOM 1217 CA HIS A 135 13.958 4.501 0.821 1.00 64.23 C ATOM 1218 C HIS A 135 13.148 5.720 0.392 1.00 53.14 C ATOM 1219 O HIS A 135 13.530 6.438 -0.532 1.00 43.04 O ATOM 1220 CB HIS A 135 13.608 3.304 -0.063 1.00 74.24 C ATOM 1221 CG HIS A 135 14.794 2.472 -0.443 1.00 73.32 C ATOM 1222 ND1 HIS A 135 14.697 1.326 -1.204 1.00 75.11 N ATOM 1223 CD2 HIS A 135 16.109 2.626 -0.164 1.00 61.21 C ATOM 1224 CE1 HIS A 135 15.901 0.810 -1.375 1.00 53.11 C ATOM 1225 NE2 HIS A 135 16.776 1.580 -0.754 1.00 52.42 N ATOM 0 H HIS A 135 13.234 3.297 2.377 1.00 14.04 H new ATOM 0 HA HIS A 135 15.017 4.732 0.704 1.00 64.23 H new ATOM 0 HB2 HIS A 135 12.886 2.676 0.459 1.00 74.24 H new ATOM 0 HB3 HIS A 135 13.121 3.663 -0.970 1.00 74.24 H new ATOM 0 HD2 HIS A 135 16.552 3.423 0.415 1.00 61.21 H new ATOM 0 HE1 HIS A 135 16.131 -0.089 -1.928 1.00 53.11 H new ATOM 0 HE2 HIS A 135 17.783 1.423 -0.718 1.00 52.42 H new ATOM 1233 N ARG A 136 12.026 5.947 1.068 1.00 4.00 N ATOM 1234 CA ARG A 136 11.161 7.078 0.755 1.00 21.13 C ATOM 1235 C ARG A 136 11.795 8.390 1.209 1.00 64.54 C ATOM 1236 O ARG A 136 11.476 9.458 0.687 1.00 32.15 O ATOM 1237 CB ARG A 136 9.796 6.902 1.422 1.00 15.20 C ATOM 1238 CG ARG A 136 8.791 7.979 1.046 1.00 1.32 C ATOM 1239 CD ARG A 136 8.614 8.992 2.167 1.00 64.20 C ATOM 1240 NE ARG A 136 8.819 10.362 1.704 1.00 33.22 N ATOM 1241 CZ ARG A 136 8.713 11.427 2.491 1.00 23.32 C ATOM 1242 NH1 ARG A 136 8.408 11.280 3.773 1.00 10.21 N ATOM 1243 NH2 ARG A 136 8.914 12.641 1.996 1.00 10.42 N ATOM 0 H ARG A 136 11.695 5.363 1.836 1.00 4.00 H new ATOM 0 HA ARG A 136 11.028 7.114 -0.326 1.00 21.13 H new ATOM 0 HB2 ARG A 136 9.391 5.928 1.149 1.00 15.20 H new ATOM 0 HB3 ARG A 136 9.927 6.901 2.504 1.00 15.20 H new ATOM 0 HG2 ARG A 136 9.124 8.489 0.142 1.00 1.32 H new ATOM 0 HG3 ARG A 136 7.831 7.518 0.816 1.00 1.32 H new ATOM 0 HD2 ARG A 136 7.612 8.897 2.586 1.00 64.20 H new ATOM 0 HD3 ARG A 136 9.318 8.771 2.969 1.00 64.20 H new ATOM 0 HE ARG A 136 9.056 10.509 0.723 1.00 33.22 H new ATOM 0 HH11 ARG A 136 8.254 10.348 4.157 1.00 10.21 H new ATOM 0 HH12 ARG A 136 8.327 12.099 4.375 1.00 10.21 H new ATOM 0 HH21 ARG A 136 9.150 12.757 1.011 1.00 10.42 H new ATOM 0 HH22 ARG A 136 8.832 13.458 2.601 1.00 10.42 H new ATOM 1257 N SER A 137 12.695 8.300 2.183 1.00 45.14 N ATOM 1258 CA SER A 137 13.372 9.480 2.709 1.00 34.13 C ATOM 1259 C SER A 137 14.793 9.580 2.164 1.00 51.31 C ATOM 1260 O SER A 137 15.424 10.636 2.231 1.00 31.32 O ATOM 1261 CB SER A 137 13.402 9.436 4.238 1.00 11.33 C ATOM 1262 OG SER A 137 14.231 8.385 4.702 1.00 32.22 O ATOM 0 H SER A 137 12.972 7.423 2.624 1.00 45.14 H new ATOM 0 HA SER A 137 12.816 10.361 2.388 1.00 34.13 H new ATOM 0 HB2 SER A 137 13.765 10.388 4.625 1.00 11.33 H new ATOM 0 HB3 SER A 137 12.390 9.301 4.621 1.00 11.33 H new ATOM 0 HG SER A 137 14.308 7.698 4.007 1.00 32.22 H new ATOM 1268 N THR A 138 15.292 8.473 1.623 1.00 50.34 N ATOM 1269 CA THR A 138 16.638 8.435 1.066 1.00 24.52 C ATOM 1270 C THR A 138 16.623 7.944 -0.377 1.00 40.41 C ATOM 1271 O THR A 138 15.881 7.025 -0.723 1.00 12.23 O ATOM 1272 CB THR A 138 17.563 7.524 1.896 1.00 61.21 C ATOM 1273 OG1 THR A 138 17.617 7.984 3.251 1.00 52.03 O ATOM 1274 CG2 THR A 138 18.966 7.497 1.308 1.00 52.21 C ATOM 0 H THR A 138 14.784 7.591 1.559 1.00 50.34 H new ATOM 0 HA THR A 138 17.021 9.455 1.096 1.00 24.52 H new ATOM 0 HB THR A 138 17.157 6.513 1.872 1.00 61.21 H new ATOM 0 HG1 THR A 138 18.205 7.399 3.772 1.00 52.03 H new ATOM 0 HG21 THR A 138 19.601 6.848 1.911 1.00 52.21 H new ATOM 0 HG22 THR A 138 18.925 7.118 0.287 1.00 52.21 H new ATOM 0 HG23 THR A 138 19.379 8.506 1.305 1.00 52.21 H new ATOM 1282 N SER A 139 17.447 8.563 -1.216 1.00 45.32 N ATOM 1283 CA SER A 139 17.526 8.191 -2.624 1.00 41.50 C ATOM 1284 C SER A 139 17.497 6.675 -2.788 1.00 21.12 C ATOM 1285 O SER A 139 17.762 5.932 -1.843 1.00 22.41 O ATOM 1286 CB SER A 139 18.800 8.759 -3.253 1.00 11.50 C ATOM 1287 OG SER A 139 19.951 8.095 -2.762 1.00 61.44 O ATOM 0 H SER A 139 18.069 9.324 -0.945 1.00 45.32 H new ATOM 0 HA SER A 139 16.659 8.611 -3.134 1.00 41.50 H new ATOM 0 HB2 SER A 139 18.751 8.656 -4.337 1.00 11.50 H new ATOM 0 HB3 SER A 139 18.872 9.825 -3.037 1.00 11.50 H new ATOM 0 HG SER A 139 20.751 8.475 -3.181 1.00 61.44 H new ATOM 1293 N VAL A 140 17.173 6.222 -3.995 1.00 12.40 N ATOM 1294 CA VAL A 140 17.110 4.795 -4.285 1.00 33.12 C ATOM 1295 C VAL A 140 17.641 4.494 -5.682 1.00 33.22 C ATOM 1296 O VAL A 140 18.281 3.466 -5.906 1.00 13.43 O ATOM 1297 CB VAL A 140 15.669 4.262 -4.169 1.00 63.11 C ATOM 1298 CG1 VAL A 140 15.636 2.759 -4.402 1.00 15.12 C ATOM 1299 CG2 VAL A 140 15.079 4.613 -2.812 1.00 22.24 C ATOM 0 H VAL A 140 16.950 6.823 -4.788 1.00 12.40 H new ATOM 0 HA VAL A 140 17.735 4.294 -3.546 1.00 33.12 H new ATOM 0 HB VAL A 140 15.060 4.738 -4.938 1.00 63.11 H new ATOM 0 HG11 VAL A 140 14.610 2.400 -4.316 1.00 15.12 H new ATOM 0 HG12 VAL A 140 16.016 2.537 -5.399 1.00 15.12 H new ATOM 0 HG13 VAL A 140 16.258 2.262 -3.658 1.00 15.12 H new ATOM 0 HG21 VAL A 140 14.061 4.229 -2.748 1.00 22.24 H new ATOM 0 HG22 VAL A 140 15.686 4.166 -2.025 1.00 22.24 H new ATOM 0 HG23 VAL A 140 15.067 5.696 -2.690 1.00 22.24 H new ATOM 1309 N SER A 141 17.371 5.397 -6.619 1.00 11.12 N ATOM 1310 CA SER A 141 17.819 5.227 -7.996 1.00 72.11 C ATOM 1311 C SER A 141 19.250 5.726 -8.168 1.00 1.34 C ATOM 1312 O SER A 141 19.604 6.805 -7.691 1.00 21.20 O ATOM 1313 CB SER A 141 16.888 5.974 -8.953 1.00 71.44 C ATOM 1314 OG SER A 141 16.336 5.094 -9.917 1.00 54.15 O ATOM 0 H SER A 141 16.844 6.254 -6.450 1.00 11.12 H new ATOM 0 HA SER A 141 17.793 4.163 -8.231 1.00 72.11 H new ATOM 0 HB2 SER A 141 16.086 6.449 -8.388 1.00 71.44 H new ATOM 0 HB3 SER A 141 17.439 6.769 -9.455 1.00 71.44 H new ATOM 0 HG SER A 141 15.422 5.375 -10.131 1.00 54.15 H new ATOM 1320 N ARG A 142 20.069 4.934 -8.852 1.00 33.44 N ATOM 1321 CA ARG A 142 21.462 5.294 -9.086 1.00 20.54 C ATOM 1322 C ARG A 142 21.608 6.091 -10.378 1.00 71.35 C ATOM 1323 O ARG A 142 22.629 6.006 -11.059 1.00 41.42 O ATOM 1324 CB ARG A 142 22.332 4.037 -9.148 1.00 20.32 C ATOM 1325 CG ARG A 142 22.049 3.044 -8.032 1.00 75.15 C ATOM 1326 CD ARG A 142 23.198 2.064 -7.853 1.00 54.15 C ATOM 1327 NE ARG A 142 23.519 1.365 -9.095 1.00 31.44 N ATOM 1328 CZ ARG A 142 24.450 1.773 -9.949 1.00 5.54 C ATOM 1329 NH1 ARG A 142 25.149 2.872 -9.697 1.00 23.32 N ATOM 1330 NH2 ARG A 142 24.685 1.083 -11.057 1.00 60.12 N ATOM 0 H ARG A 142 19.792 4.038 -9.254 1.00 33.44 H new ATOM 0 HA ARG A 142 21.794 5.917 -8.256 1.00 20.54 H new ATOM 0 HB2 ARG A 142 22.177 3.545 -10.108 1.00 20.32 H new ATOM 0 HB3 ARG A 142 23.381 4.329 -9.105 1.00 20.32 H new ATOM 0 HG2 ARG A 142 21.880 3.582 -7.099 1.00 75.15 H new ATOM 0 HG3 ARG A 142 21.133 2.496 -8.255 1.00 75.15 H new ATOM 0 HD2 ARG A 142 24.079 2.599 -7.500 1.00 54.15 H new ATOM 0 HD3 ARG A 142 22.938 1.336 -7.084 1.00 54.15 H new ATOM 0 HE ARG A 142 22.999 0.516 -9.318 1.00 31.44 H new ATOM 0 HH11 ARG A 142 24.972 3.405 -8.846 1.00 23.32 H new ATOM 0 HH12 ARG A 142 25.864 3.184 -10.354 1.00 23.32 H new ATOM 0 HH21 ARG A 142 24.150 0.237 -11.254 1.00 60.12 H new ATOM 0 HH22 ARG A 142 25.401 1.398 -11.712 1.00 60.12 H new ATOM 1344 N ASN A 143 20.579 6.864 -10.710 1.00 71.33 N ATOM 1345 CA ASN A 143 20.592 7.675 -11.922 1.00 50.10 C ATOM 1346 C ASN A 143 20.324 9.142 -11.598 1.00 24.35 C ATOM 1347 O ASN A 143 21.121 10.017 -11.934 1.00 64.24 O ATOM 1348 CB ASN A 143 19.548 7.162 -12.916 1.00 15.35 C ATOM 1349 CG ASN A 143 19.888 7.521 -14.349 1.00 63.31 C ATOM 1350 OD1 ASN A 143 19.259 8.393 -14.949 1.00 24.31 O ATOM 1351 ND2 ASN A 143 20.888 6.847 -14.906 1.00 3.15 N ATOM 0 H ASN A 143 19.726 6.946 -10.157 1.00 71.33 H new ATOM 0 HA ASN A 143 21.582 7.595 -12.372 1.00 50.10 H new ATOM 0 HB2 ASN A 143 19.466 6.079 -12.826 1.00 15.35 H new ATOM 0 HB3 ASN A 143 18.573 7.578 -12.662 1.00 15.35 H new ATOM 0 HD21 ASN A 143 21.162 7.044 -15.869 1.00 3.15 H new ATOM 0 HD22 ASN A 143 21.382 6.132 -14.371 1.00 3.15 H new ATOM 1358 N GLN A 144 19.198 9.401 -10.941 1.00 62.12 N ATOM 1359 CA GLN A 144 18.826 10.761 -10.571 1.00 50.44 C ATOM 1360 C GLN A 144 18.596 10.873 -9.068 1.00 14.11 C ATOM 1361 O GLN A 144 18.981 9.988 -8.305 1.00 1.03 O ATOM 1362 CB GLN A 144 17.566 11.191 -11.326 1.00 24.14 C ATOM 1363 CG GLN A 144 17.660 12.586 -11.921 1.00 10.50 C ATOM 1364 CD GLN A 144 16.714 12.788 -13.088 1.00 72.32 C ATOM 1365 OE1 GLN A 144 16.575 11.916 -13.947 1.00 14.02 O ATOM 1366 NE2 GLN A 144 16.057 13.941 -13.126 1.00 72.01 N ATOM 0 H GLN A 144 18.528 8.687 -10.654 1.00 62.12 H new ATOM 0 HA GLN A 144 19.648 11.423 -10.844 1.00 50.44 H new ATOM 0 HB2 GLN A 144 17.370 10.476 -12.125 1.00 24.14 H new ATOM 0 HB3 GLN A 144 16.714 11.151 -10.647 1.00 24.14 H new ATOM 0 HG2 GLN A 144 17.439 13.322 -11.148 1.00 10.50 H new ATOM 0 HG3 GLN A 144 18.683 12.768 -12.252 1.00 10.50 H new ATOM 0 HE21 GLN A 144 16.203 14.635 -12.393 1.00 72.01 H new ATOM 0 HE22 GLN A 144 15.407 14.132 -13.888 1.00 72.01 H new ATOM 1375 N GLN A 145 17.966 11.966 -8.650 1.00 55.34 N ATOM 1376 CA GLN A 145 17.685 12.193 -7.238 1.00 3.44 C ATOM 1377 C GLN A 145 16.185 12.310 -6.992 1.00 54.42 C ATOM 1378 O GLN A 145 15.642 13.413 -6.922 1.00 13.42 O ATOM 1379 CB GLN A 145 18.394 13.459 -6.752 1.00 53.45 C ATOM 1380 CG GLN A 145 19.829 13.223 -6.313 1.00 25.32 C ATOM 1381 CD GLN A 145 20.336 14.297 -5.371 1.00 1.10 C ATOM 1382 OE1 GLN A 145 19.853 14.431 -4.246 1.00 64.21 O ATOM 1383 NE2 GLN A 145 21.315 15.071 -5.826 1.00 72.54 N ATOM 0 H GLN A 145 17.641 12.708 -9.269 1.00 55.34 H new ATOM 0 HA GLN A 145 18.060 11.337 -6.677 1.00 3.44 H new ATOM 0 HB2 GLN A 145 18.385 14.200 -7.551 1.00 53.45 H new ATOM 0 HB3 GLN A 145 17.833 13.882 -5.919 1.00 53.45 H new ATOM 0 HG2 GLN A 145 19.900 12.252 -5.822 1.00 25.32 H new ATOM 0 HG3 GLN A 145 20.472 13.183 -7.192 1.00 25.32 H new ATOM 0 HE21 GLN A 145 21.686 14.925 -6.765 1.00 72.54 H new ATOM 0 HE22 GLN A 145 21.696 15.811 -5.236 1.00 72.54 H new ATOM 1392 N ILE A 146 15.520 11.167 -6.863 1.00 63.12 N ATOM 1393 CA ILE A 146 14.083 11.142 -6.625 1.00 75.00 C ATOM 1394 C ILE A 146 13.741 10.278 -5.416 1.00 14.54 C ATOM 1395 O ILE A 146 14.513 9.402 -5.027 1.00 34.31 O ATOM 1396 CB ILE A 146 13.318 10.613 -7.852 1.00 73.54 C ATOM 1397 CG1 ILE A 146 13.840 11.272 -9.130 1.00 44.50 C ATOM 1398 CG2 ILE A 146 11.825 10.861 -7.694 1.00 61.20 C ATOM 1399 CD1 ILE A 146 13.913 10.330 -10.311 1.00 22.12 C ATOM 0 H ILE A 146 15.954 10.246 -6.919 1.00 63.12 H new ATOM 0 HA ILE A 146 13.778 12.170 -6.432 1.00 75.00 H new ATOM 0 HB ILE A 146 13.482 9.538 -7.927 1.00 73.54 H new ATOM 0 HG12 ILE A 146 13.194 12.112 -9.385 1.00 44.50 H new ATOM 0 HG13 ILE A 146 14.833 11.680 -8.939 1.00 44.50 H new ATOM 0 HG21 ILE A 146 11.298 10.481 -8.570 1.00 61.20 H new ATOM 0 HG22 ILE A 146 11.463 10.348 -6.803 1.00 61.20 H new ATOM 0 HG23 ILE A 146 11.642 11.931 -7.596 1.00 61.20 H new ATOM 0 HD11 ILE A 146 14.292 10.866 -11.181 1.00 22.12 H new ATOM 0 HD12 ILE A 146 14.582 9.502 -10.075 1.00 22.12 H new ATOM 0 HD13 ILE A 146 12.918 9.942 -10.529 1.00 22.12 H new ATOM 1411 N PHE A 147 12.577 10.531 -4.825 1.00 2.20 N ATOM 1412 CA PHE A 147 12.132 9.776 -3.660 1.00 14.44 C ATOM 1413 C PHE A 147 10.901 8.938 -3.993 1.00 12.14 C ATOM 1414 O PHE A 147 10.179 9.226 -4.949 1.00 4.14 O ATOM 1415 CB PHE A 147 11.818 10.725 -2.501 1.00 22.25 C ATOM 1416 CG PHE A 147 13.003 11.527 -2.045 1.00 45.34 C ATOM 1417 CD1 PHE A 147 14.259 10.948 -1.964 1.00 63.32 C ATOM 1418 CD2 PHE A 147 12.862 12.861 -1.698 1.00 54.11 C ATOM 1419 CE1 PHE A 147 15.352 11.683 -1.546 1.00 43.41 C ATOM 1420 CE2 PHE A 147 13.951 13.602 -1.280 1.00 32.23 C ATOM 1421 CZ PHE A 147 15.197 13.012 -1.202 1.00 44.04 C ATOM 0 H PHE A 147 11.926 11.253 -5.134 1.00 2.20 H new ATOM 0 HA PHE A 147 12.938 9.105 -3.363 1.00 14.44 H new ATOM 0 HB2 PHE A 147 11.023 11.406 -2.805 1.00 22.25 H new ATOM 0 HB3 PHE A 147 11.437 10.145 -1.660 1.00 22.25 H new ATOM 0 HD1 PHE A 147 14.385 9.909 -2.231 1.00 63.32 H new ATOM 0 HD2 PHE A 147 11.889 13.327 -1.755 1.00 54.11 H new ATOM 0 HE1 PHE A 147 16.326 11.219 -1.488 1.00 43.41 H new ATOM 0 HE2 PHE A 147 13.828 14.642 -1.015 1.00 32.23 H new ATOM 0 HZ PHE A 147 16.049 13.588 -0.873 1.00 44.04 H new ATOM 1431 N LEU A 148 10.667 7.899 -3.198 1.00 45.41 N ATOM 1432 CA LEU A 148 9.524 7.018 -3.408 1.00 24.54 C ATOM 1433 C LEU A 148 8.224 7.706 -3.004 1.00 64.11 C ATOM 1434 O LEU A 148 7.964 7.917 -1.819 1.00 71.25 O ATOM 1435 CB LEU A 148 9.699 5.725 -2.609 1.00 25.32 C ATOM 1436 CG LEU A 148 10.991 4.948 -2.864 1.00 64.43 C ATOM 1437 CD1 LEU A 148 11.006 3.658 -2.059 1.00 25.40 C ATOM 1438 CD2 LEU A 148 11.152 4.654 -4.349 1.00 23.23 C ATOM 0 H LEU A 148 11.254 7.647 -2.403 1.00 45.41 H new ATOM 0 HA LEU A 148 9.472 6.778 -4.470 1.00 24.54 H new ATOM 0 HB2 LEU A 148 9.648 5.968 -1.548 1.00 25.32 H new ATOM 0 HB3 LEU A 148 8.856 5.070 -2.827 1.00 25.32 H new ATOM 0 HG LEU A 148 11.832 5.563 -2.542 1.00 64.43 H new ATOM 0 HD11 LEU A 148 11.933 3.119 -2.253 1.00 25.40 H new ATOM 0 HD12 LEU A 148 10.938 3.891 -0.996 1.00 25.40 H new ATOM 0 HD13 LEU A 148 10.158 3.038 -2.349 1.00 25.40 H new ATOM 0 HD21 LEU A 148 12.077 4.101 -4.512 1.00 23.23 H new ATOM 0 HD22 LEU A 148 10.307 4.059 -4.696 1.00 23.23 H new ATOM 0 HD23 LEU A 148 11.188 5.592 -4.904 1.00 23.23 H new ATOM 1450 N ARG A 149 7.411 8.052 -3.997 1.00 23.23 N ATOM 1451 CA ARG A 149 6.138 8.715 -3.745 1.00 53.31 C ATOM 1452 C ARG A 149 5.053 7.698 -3.403 1.00 0.11 C ATOM 1453 O ARG A 149 4.978 6.628 -4.008 1.00 4.25 O ATOM 1454 CB ARG A 149 5.716 9.536 -4.965 1.00 72.45 C ATOM 1455 CG ARG A 149 6.596 10.749 -5.218 1.00 31.05 C ATOM 1456 CD ARG A 149 6.356 11.836 -4.182 1.00 14.31 C ATOM 1457 NE ARG A 149 6.928 13.117 -4.590 1.00 34.33 N ATOM 1458 CZ ARG A 149 6.719 14.256 -3.939 1.00 35.41 C ATOM 1459 NH1 ARG A 149 5.955 14.273 -2.855 1.00 4.12 N ATOM 1460 NH2 ARG A 149 7.274 15.380 -4.372 1.00 10.21 N ATOM 0 H ARG A 149 7.612 7.884 -4.983 1.00 23.23 H new ATOM 0 HA ARG A 149 6.267 9.383 -2.893 1.00 53.31 H new ATOM 0 HB2 ARG A 149 5.733 8.895 -5.847 1.00 72.45 H new ATOM 0 HB3 ARG A 149 4.686 9.867 -4.831 1.00 72.45 H new ATOM 0 HG2 ARG A 149 7.644 10.450 -5.198 1.00 31.05 H new ATOM 0 HG3 ARG A 149 6.396 11.144 -6.214 1.00 31.05 H new ATOM 0 HD2 ARG A 149 5.284 11.953 -4.020 1.00 14.31 H new ATOM 0 HD3 ARG A 149 6.791 11.532 -3.230 1.00 14.31 H new ATOM 0 HE ARG A 149 7.520 13.138 -5.420 1.00 34.33 H new ATOM 0 HH11 ARG A 149 5.526 13.410 -2.520 1.00 4.12 H new ATOM 0 HH12 ARG A 149 5.796 15.149 -2.357 1.00 4.12 H new ATOM 0 HH21 ARG A 149 7.862 15.370 -5.206 1.00 10.21 H new ATOM 0 HH22 ARG A 149 7.113 16.254 -3.872 1.00 10.21 H new ATOM 1474 N ASP A 150 4.215 8.039 -2.430 1.00 43.11 N ATOM 1475 CA ASP A 150 3.134 7.156 -2.007 1.00 42.35 C ATOM 1476 C ASP A 150 2.113 6.974 -3.126 1.00 61.40 C ATOM 1477 O ASP A 150 1.317 7.870 -3.405 1.00 53.40 O ATOM 1478 CB ASP A 150 2.448 7.716 -0.760 1.00 62.22 C ATOM 1479 CG ASP A 150 2.516 9.229 -0.692 1.00 21.24 C ATOM 1480 OD1 ASP A 150 1.802 9.890 -1.473 1.00 52.34 O ATOM 1481 OD2 ASP A 150 3.284 9.751 0.143 1.00 1.43 O ATOM 0 H ASP A 150 4.263 8.921 -1.919 1.00 43.11 H new ATOM 0 HA ASP A 150 3.564 6.183 -1.769 1.00 42.35 H new ATOM 0 HB2 ASP A 150 1.404 7.401 -0.751 1.00 62.22 H new ATOM 0 HB3 ASP A 150 2.916 7.294 0.129 1.00 62.22 H new ATOM 1486 N ILE A 151 2.143 5.808 -3.763 1.00 44.12 N ATOM 1487 CA ILE A 151 1.221 5.509 -4.851 1.00 74.41 C ATOM 1488 C ILE A 151 -0.228 5.605 -4.385 1.00 72.02 C ATOM 1489 O ILE A 151 -0.543 5.291 -3.238 1.00 73.30 O ATOM 1490 CB ILE A 151 1.470 4.103 -5.430 1.00 15.14 C ATOM 1491 CG1 ILE A 151 1.027 4.045 -6.893 1.00 71.51 C ATOM 1492 CG2 ILE A 151 0.737 3.054 -4.607 1.00 11.15 C ATOM 1493 CD1 ILE A 151 1.257 2.697 -7.541 1.00 24.05 C ATOM 0 H ILE A 151 2.796 5.055 -3.544 1.00 44.12 H new ATOM 0 HA ILE A 151 1.400 6.251 -5.629 1.00 74.41 H new ATOM 0 HB ILE A 151 2.538 3.891 -5.385 1.00 15.14 H new ATOM 0 HG12 ILE A 151 -0.033 4.292 -6.953 1.00 71.51 H new ATOM 0 HG13 ILE A 151 1.565 4.807 -7.457 1.00 71.51 H new ATOM 0 HG21 ILE A 151 0.923 2.066 -5.028 1.00 11.15 H new ATOM 0 HG22 ILE A 151 1.096 3.083 -3.578 1.00 11.15 H new ATOM 0 HG23 ILE A 151 -0.333 3.261 -4.624 1.00 11.15 H new ATOM 0 HD11 ILE A 151 0.920 2.729 -8.577 1.00 24.05 H new ATOM 0 HD12 ILE A 151 2.320 2.456 -7.513 1.00 24.05 H new ATOM 0 HD13 ILE A 151 0.697 1.933 -7.001 1.00 24.05 H new ATOM 1505 N GLU A 152 -1.106 6.040 -5.284 1.00 44.12 N ATOM 1506 CA GLU A 152 -2.522 6.177 -4.965 1.00 23.43 C ATOM 1507 C GLU A 152 -3.262 4.864 -5.203 1.00 72.30 C ATOM 1508 O GLU A 152 -3.946 4.700 -6.213 1.00 44.03 O ATOM 1509 CB GLU A 152 -3.152 7.290 -5.804 1.00 62.13 C ATOM 1510 CG GLU A 152 -2.868 8.686 -5.276 1.00 20.24 C ATOM 1511 CD GLU A 152 -4.102 9.566 -5.262 1.00 13.54 C ATOM 1512 OE1 GLU A 152 -4.566 9.956 -6.353 1.00 75.24 O ATOM 1513 OE2 GLU A 152 -4.604 9.866 -4.158 1.00 11.02 O ATOM 0 H GLU A 152 -0.861 6.303 -6.239 1.00 44.12 H new ATOM 0 HA GLU A 152 -2.607 6.436 -3.910 1.00 23.43 H new ATOM 0 HB2 GLU A 152 -2.783 7.216 -6.827 1.00 62.13 H new ATOM 0 HB3 GLU A 152 -4.231 7.138 -5.843 1.00 62.13 H new ATOM 0 HG2 GLU A 152 -2.467 8.613 -4.265 1.00 20.24 H new ATOM 0 HG3 GLU A 152 -2.100 9.154 -5.891 1.00 20.24 H new ATOM 1520 N GLN A 153 -3.120 3.932 -4.266 1.00 2.34 N ATOM 1521 CA GLN A 153 -3.774 2.634 -4.374 1.00 61.33 C ATOM 1522 C GLN A 153 -5.289 2.791 -4.444 1.00 13.53 C ATOM 1523 O GLN A 153 -5.842 3.789 -3.981 1.00 2.45 O ATOM 1524 CB GLN A 153 -3.395 1.747 -3.186 1.00 54.43 C ATOM 1525 CG GLN A 153 -3.040 0.323 -3.579 1.00 71.52 C ATOM 1526 CD GLN A 153 -4.096 -0.680 -3.157 1.00 53.22 C ATOM 1527 OE1 GLN A 153 -5.021 -0.349 -2.414 1.00 62.11 O ATOM 1528 NE2 GLN A 153 -3.965 -1.914 -3.630 1.00 44.54 N ATOM 0 H GLN A 153 -2.558 4.052 -3.424 1.00 2.34 H new ATOM 0 HA GLN A 153 -3.434 2.160 -5.295 1.00 61.33 H new ATOM 0 HB2 GLN A 153 -2.548 2.193 -2.666 1.00 54.43 H new ATOM 0 HB3 GLN A 153 -4.226 1.724 -2.481 1.00 54.43 H new ATOM 0 HG2 GLN A 153 -2.906 0.271 -4.660 1.00 71.52 H new ATOM 0 HG3 GLN A 153 -2.086 0.052 -3.126 1.00 71.52 H new ATOM 0 HE21 GLN A 153 -3.183 -2.145 -4.243 1.00 44.54 H new ATOM 0 HE22 GLN A 153 -4.646 -2.631 -3.380 1.00 44.54 H new ATOM 1537 N VAL A 154 -5.957 1.800 -5.026 1.00 4.03 N ATOM 1538 CA VAL A 154 -7.409 1.828 -5.155 1.00 45.33 C ATOM 1539 C VAL A 154 -8.064 2.348 -3.881 1.00 0.03 C ATOM 1540 O VAL A 154 -7.694 1.977 -2.767 1.00 22.43 O ATOM 1541 CB VAL A 154 -7.971 0.431 -5.475 1.00 62.45 C ATOM 1542 CG1 VAL A 154 -7.503 -0.583 -4.442 1.00 12.20 C ATOM 1543 CG2 VAL A 154 -9.490 0.471 -5.545 1.00 41.03 C ATOM 0 H VAL A 154 -5.515 0.967 -5.416 1.00 4.03 H new ATOM 0 HA VAL A 154 -7.640 2.502 -5.980 1.00 45.33 H new ATOM 0 HB VAL A 154 -7.593 0.121 -6.449 1.00 62.45 H new ATOM 0 HG11 VAL A 154 -7.910 -1.564 -4.685 1.00 12.20 H new ATOM 0 HG12 VAL A 154 -6.414 -0.631 -4.447 1.00 12.20 H new ATOM 0 HG13 VAL A 154 -7.849 -0.281 -3.453 1.00 12.20 H new ATOM 0 HG21 VAL A 154 -9.870 -0.525 -5.772 1.00 41.03 H new ATOM 0 HG22 VAL A 154 -9.890 0.802 -4.587 1.00 41.03 H new ATOM 0 HG23 VAL A 154 -9.800 1.165 -6.327 1.00 41.03 H new ATOM 1553 N PRO A 155 -9.062 3.229 -4.045 1.00 73.54 N ATOM 1554 CA PRO A 155 -9.792 3.818 -2.919 1.00 21.12 C ATOM 1555 C PRO A 155 -10.676 2.801 -2.205 1.00 24.23 C ATOM 1556 O PRO A 155 -11.092 1.805 -2.795 1.00 61.34 O ATOM 1557 CB PRO A 155 -10.649 4.901 -3.579 1.00 20.21 C ATOM 1558 CG PRO A 155 -10.824 4.441 -4.985 1.00 63.11 C ATOM 1559 CD PRO A 155 -9.556 3.716 -5.344 1.00 51.12 C ATOM 0 HA PRO A 155 -9.118 4.197 -2.151 1.00 21.12 H new ATOM 0 HB2 PRO A 155 -11.610 5.008 -3.075 1.00 20.21 H new ATOM 0 HB3 PRO A 155 -10.158 5.873 -3.539 1.00 20.21 H new ATOM 0 HG2 PRO A 155 -11.689 3.784 -5.076 1.00 63.11 H new ATOM 0 HG3 PRO A 155 -10.994 5.285 -5.654 1.00 63.11 H new ATOM 0 HD2 PRO A 155 -9.745 2.895 -6.036 1.00 51.12 H new ATOM 0 HD3 PRO A 155 -8.836 4.379 -5.825 1.00 51.12 H new ATOM 1567 N GLN A 156 -10.958 3.059 -0.932 1.00 2.31 N ATOM 1568 CA GLN A 156 -11.792 2.165 -0.138 1.00 53.12 C ATOM 1569 C GLN A 156 -12.695 2.956 0.803 1.00 22.55 C ATOM 1570 O GLN A 156 -12.364 3.156 1.972 1.00 42.13 O ATOM 1571 CB GLN A 156 -10.920 1.198 0.664 1.00 34.23 C ATOM 1572 CG GLN A 156 -11.717 0.158 1.436 1.00 63.13 C ATOM 1573 CD GLN A 156 -11.238 -0.001 2.865 1.00 32.14 C ATOM 1574 OE1 GLN A 156 -10.058 -0.248 3.113 1.00 23.32 O ATOM 1575 NE2 GLN A 156 -12.155 0.140 3.816 1.00 44.51 N ATOM 0 H GLN A 156 -10.621 3.880 -0.429 1.00 2.31 H new ATOM 0 HA GLN A 156 -12.421 1.594 -0.820 1.00 53.12 H new ATOM 0 HB2 GLN A 156 -10.237 0.689 -0.016 1.00 34.23 H new ATOM 0 HB3 GLN A 156 -10.308 1.768 1.363 1.00 34.23 H new ATOM 0 HG2 GLN A 156 -12.770 0.441 1.439 1.00 63.13 H new ATOM 0 HG3 GLN A 156 -11.646 -0.802 0.924 1.00 63.13 H new ATOM 0 HE21 GLN A 156 -13.122 0.345 3.565 1.00 44.51 H new ATOM 0 HE22 GLN A 156 -11.892 0.044 4.797 1.00 44.51 H new ATOM 1584 N GLN A 157 -13.835 3.402 0.287 1.00 71.34 N ATOM 1585 CA GLN A 157 -14.784 4.171 1.082 1.00 14.30 C ATOM 1586 C GLN A 157 -16.206 3.657 0.881 1.00 51.34 C ATOM 1587 O GLN A 157 -16.782 3.761 -0.203 1.00 21.43 O ATOM 1588 CB GLN A 157 -14.708 5.654 0.712 1.00 31.42 C ATOM 1589 CG GLN A 157 -14.589 6.575 1.915 1.00 12.42 C ATOM 1590 CD GLN A 157 -13.188 7.125 2.093 1.00 43.22 C ATOM 1591 OE1 GLN A 157 -12.845 8.173 1.544 1.00 13.12 O ATOM 1592 NE2 GLN A 157 -12.368 6.419 2.863 1.00 43.43 N ATOM 0 H GLN A 157 -14.124 3.244 -0.678 1.00 71.34 H new ATOM 0 HA GLN A 157 -14.519 4.052 2.133 1.00 14.30 H new ATOM 0 HB2 GLN A 157 -13.852 5.813 0.057 1.00 31.42 H new ATOM 0 HB3 GLN A 157 -15.598 5.925 0.144 1.00 31.42 H new ATOM 0 HG2 GLN A 157 -15.289 7.403 1.804 1.00 12.42 H new ATOM 0 HG3 GLN A 157 -14.879 6.031 2.814 1.00 12.42 H new ATOM 0 HE21 GLN A 157 -12.694 5.556 3.298 1.00 43.43 H new ATOM 0 HE22 GLN A 157 -11.412 6.740 3.019 1.00 43.43 H new ATOM 1601 N PRO A 158 -16.787 3.089 1.948 1.00 52.33 N ATOM 1602 CA PRO A 158 -18.149 2.548 1.913 1.00 70.22 C ATOM 1603 C PRO A 158 -19.205 3.642 1.797 1.00 20.24 C ATOM 1604 O PRO A 158 -18.961 4.795 2.153 1.00 12.34 O ATOM 1605 CB PRO A 158 -18.276 1.821 3.254 1.00 12.21 C ATOM 1606 CG PRO A 158 -17.303 2.506 4.150 1.00 42.21 C ATOM 1607 CD PRO A 158 -16.160 2.932 3.271 1.00 42.34 C ATOM 0 HA PRO A 158 -18.310 1.906 1.047 1.00 70.22 H new ATOM 0 HB2 PRO A 158 -19.291 1.888 3.646 1.00 12.21 H new ATOM 0 HB3 PRO A 158 -18.043 0.761 3.153 1.00 12.21 H new ATOM 0 HG2 PRO A 158 -17.761 3.366 4.639 1.00 42.21 H new ATOM 0 HG3 PRO A 158 -16.960 1.836 4.939 1.00 42.21 H new ATOM 0 HD2 PRO A 158 -15.713 3.864 3.617 1.00 42.34 H new ATOM 0 HD3 PRO A 158 -15.366 2.185 3.253 1.00 42.34 H new ATOM 1615 N THR A 159 -20.381 3.273 1.298 1.00 45.03 N ATOM 1616 CA THR A 159 -21.474 4.223 1.135 1.00 43.02 C ATOM 1617 C THR A 159 -22.668 3.840 2.001 1.00 53.50 C ATOM 1618 O THR A 159 -23.307 2.825 1.730 1.00 32.12 O ATOM 1619 CB THR A 159 -21.927 4.311 -0.335 1.00 1.32 C ATOM 1620 OG1 THR A 159 -20.799 4.561 -1.181 1.00 52.50 O ATOM 1621 CG2 THR A 159 -22.959 5.414 -0.517 1.00 60.24 C ATOM 0 H THR A 159 -20.600 2.323 1.000 1.00 45.03 H new ATOM 0 HA THR A 159 -21.097 5.196 1.450 1.00 43.02 H new ATOM 0 HB THR A 159 -22.383 3.360 -0.610 1.00 1.32 H new ATOM 0 HG1 THR A 159 -21.095 4.614 -2.114 1.00 52.50 H new ATOM 0 HG21 THR A 159 -23.264 5.458 -1.562 1.00 60.24 H new ATOM 0 HG22 THR A 159 -23.828 5.205 0.106 1.00 60.24 H new ATOM 0 HG23 THR A 159 -22.525 6.370 -0.226 1.00 60.24 H new TER 1629 THR A 159 HETATM 1630 CBR DTF A 174 21.118 -10.134 -5.986 1.00 44.44 C HETATM 1631 CAU DTF A 174 21.836 -8.929 -5.942 1.00 2.41 C HETATM 1632 CAL DTF A 174 22.388 -8.467 -4.754 1.00 14.15 C HETATM 1633 CAK DTF A 174 22.264 -9.213 -3.590 1.00 1.23 C HETATM 1634 CAS DTF A 174 21.567 -10.414 -3.588 1.00 65.42 C HETATM 1635 CBQ DTF A 174 20.975 -10.885 -4.764 1.00 52.31 C HETATM 1636 CAT DTF A 174 20.248 -12.071 -4.764 1.00 71.32 C HETATM 1637 CAM DTF A 174 19.679 -12.547 -5.938 1.00 5.43 C HETATM 1638 CAP DTF A 174 19.825 -11.844 -7.126 1.00 54.25 C HETATM 1639 CBP DTF A 174 20.530 -10.636 -7.174 1.00 61.42 C HETATM 1640 CBE DTF A 174 20.674 -9.968 -8.572 1.00 1.04 C HETATM 1641 CBT DTF A 174 19.963 -8.580 -8.743 1.00 34.23 C HETATM 1642 CAY DTF A 174 18.501 -8.808 -9.233 1.00 1.40 C HETATM 1643 CAI DTF A 174 17.668 -7.588 -9.581 1.00 72.24 C HETATM 1644 CAJ DTF A 174 16.805 -7.566 -10.604 1.00 3.22 C HETATM 1645 CBB DTF A 174 20.878 -7.602 -9.554 1.00 62.13 C HETATM 1646 NBG DTF A 174 20.518 -6.161 -9.499 1.00 44.13 N HETATM 1647 C DTF A 174 20.520 -5.421 -8.368 1.00 23.45 C HETATM 1648 O DTF A 174 20.932 -5.884 -7.300 1.00 24.32 O HETATM 1649 CA DTF A 174 20.022 -3.925 -8.424 1.00 2.15 C HETATM 1650 CB DTF A 174 19.430 -3.344 -7.104 1.00 73.44 C HETATM 1651 CG DTF A 174 18.086 -3.902 -6.615 1.00 44.11 C HETATM 1652 OD1 DTF A 174 17.014 -3.513 -7.064 1.00 24.54 O HETATM 1653 ND2 DTF A 174 18.098 -4.805 -5.671 1.00 61.30 N HETATM 1654 N DTF A 174 19.026 -3.589 -9.487 1.00 65.30 N HETATM 1655 CBM DTF A 174 19.268 -2.732 -10.497 1.00 1.41 C HETATM 1656 OAE DTF A 174 20.368 -2.174 -10.577 1.00 42.22 O HETATM 1657 CBV DTF A 174 18.097 -2.397 -11.539 1.00 63.42 C HETATM 1658 CAZ DTF A 174 18.695 -1.875 -12.901 1.00 35.54 C HETATM 1659 CAW DTF A 174 17.727 -1.150 -13.878 1.00 62.31 C HETATM 1660 CAV DTF A 174 16.839 -0.091 -13.181 1.00 21.41 C HETATM 1661 CAX DTF A 174 16.181 -0.587 -11.875 1.00 11.04 C HETATM 1662 CBA DTF A 174 17.225 -1.243 -10.922 1.00 52.50 C HETATM 1663 NBI DTF A 174 17.100 -3.495 -11.788 1.00 1.11 N HETATM 1664 CBK DTF A 174 17.393 -4.742 -12.156 1.00 31.25 C HETATM 1665 OAC DTF A 174 18.532 -5.139 -12.390 1.00 2.21 O HETATM 1666 CBC DTF A 174 16.185 -5.680 -12.228 1.00 44.14 C HETATM 1667 CBS DTF A 174 15.837 -6.421 -10.902 1.00 73.13 C HETATM 1668 CBO DTF A 174 14.379 -6.965 -10.886 1.00 44.41 C HETATM 1669 CAR DTF A 174 13.521 -6.618 -9.832 1.00 52.25 C HETATM 1670 CAO DTF A 174 12.229 -7.136 -9.772 1.00 2.21 C HETATM 1671 CAQ DTF A 174 13.898 -7.815 -11.896 1.00 52.11 C HETATM 1672 CAN DTF A 174 12.610 -8.332 -11.833 1.00 73.22 C HETATM 1673 CBN DTF A 174 11.776 -8.009 -10.761 1.00 73.45 C HETATM 1674 CBF DTF A 174 10.393 -8.653 -10.651 1.00 74.42 C HETATM 1675 PBW DTF A 174 9.341 -8.365 -12.009 1.00 15.22 P HETATM 1676 OAG DTF A 174 9.412 -9.549 -12.994 1.00 2.21 O HETATM 1677 OAH DTF A 174 9.710 -7.074 -12.776 1.00 13.02 O HETATM 1678 OAF DTF A 174 7.842 -8.228 -11.492 1.00 1.21 O HETATM 0 HBT1 DTF A 174 19.833 -8.050 -7.799 1.00 34.23 H new HETATM 0 HBS1 DTF A 174 15.934 -5.667 -10.121 1.00 73.13 H new HETATM 0 HBF2 DTF A 174 10.518 -9.729 -10.528 1.00 74.42 H new HETATM 0 HBF1 DTF A 174 9.907 -8.283 -9.748 1.00 74.42 H new HETATM 0 HBE2 DTF A 174 21.735 -9.840 -8.785 1.00 1.04 H new HETATM 0 HBE1 DTF A 174 20.279 -10.652 -9.323 1.00 1.04 H new HETATM 0 HBC2 DTF A 174 15.315 -5.102 -12.541 1.00 44.14 H new HETATM 0 HBC1 DTF A 174 16.369 -6.424 -13.003 1.00 44.14 H new HETATM 0 HBB2 DTF A 174 21.901 -7.713 -9.193 1.00 62.13 H new HETATM 0 HBB1 DTF A 174 20.873 -7.916 -10.598 1.00 62.13 H new HETATM 0 HBA2 DTF A 174 16.696 -1.639 -10.055 1.00 52.50 H new HETATM 0 HBA1 DTF A 174 17.895 -0.464 -10.559 1.00 52.50 H new HETATM 0 HAZ2 DTF A 174 19.513 -1.193 -12.670 1.00 35.54 H new HETATM 0 HAZ1 DTF A 174 19.128 -2.726 -13.426 1.00 35.54 H new HETATM 0 HAY2 DTF A 174 18.540 -9.448 -10.114 1.00 1.40 H new HETATM 0 HAY1 DTF A 174 17.972 -9.364 -8.459 1.00 1.40 H new HETATM 0 HAX2 DTF A 174 15.700 0.250 -11.368 1.00 11.04 H new HETATM 0 HAX1 DTF A 174 15.399 -1.309 -12.112 1.00 11.04 H new HETATM 0 HAW2 DTF A 174 18.308 -0.667 -14.664 1.00 62.31 H new HETATM 0 HAW1 DTF A 174 17.088 -1.889 -14.362 1.00 62.31 H new HETATM 0 HAV2 DTF A 174 17.445 0.788 -12.960 1.00 21.41 H new HETATM 0 HAV1 DTF A 174 16.058 0.226 -13.872 1.00 21.41 H new HETATM 0 HAU1 DTF A 174 21.963 -8.346 -6.855 1.00 2.41 H new HETATM 0 HAT1 DTF A 174 20.124 -12.630 -3.837 1.00 71.32 H new HETATM 0 HAS1 DTF A 174 21.481 -10.991 -2.667 1.00 65.42 H new HETATM 0 HAR1 DTF A 174 13.868 -5.938 -9.054 1.00 52.25 H new HETATM 0 HAQ1 DTF A 174 14.542 -8.071 -12.737 1.00 52.11 H new HETATM 0 HAP1 DTF A 174 19.382 -12.241 -8.039 1.00 54.25 H new HETATM 0 HAO1 DTF A 174 11.570 -6.858 -8.949 1.00 2.21 H new HETATM 0 HAN1 DTF A 174 12.250 -8.991 -12.623 1.00 73.22 H new HETATM 0 HAM1 DTF A 174 19.114 -13.479 -5.927 1.00 5.43 H new HETATM 0 HAL1 DTF A 174 22.920 -7.516 -4.736 1.00 14.15 H new HETATM 0 HAK1 DTF A 174 22.719 -8.852 -2.667 1.00 1.23 H new HETATM 0 HAJ1 DTF A 174 16.792 -8.427 -11.273 1.00 3.22 H new HETATM 0 HAI1 DTF A 174 17.777 -6.691 -8.972 1.00 72.24 H new HETATM 0 HB2 DTF A 174 20.164 -3.496 -6.312 1.00 73.44 H new HETATM 0 HB1 DTF A 174 19.319 -2.267 -7.232 1.00 73.44 H new HETATM 0 HAE DTF A 174 18.985 -5.121 -5.279 1.00 61.30 H new HETATM 0 HAD DTF A 174 17.220 -5.194 -5.326 1.00 61.30 H new HETATM 0 HAC DTF A 174 16.114 -3.265 -11.665 1.00 1.11 H new HETATM 0 HAB DTF A 174 18.110 -4.035 -9.445 1.00 65.30 H new HETATM 0 HAA DTF A 174 20.253 -5.701 -10.370 1.00 44.13 H new HETATM 0 HA1 DTF A 174 20.983 -3.463 -8.649 1.00 2.15 H new