USER MOD reduce.3.24.130724 H: found=0, std=0, add=1419, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1415 hydrogens (21 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 92 HIS : no HE2:sc= -0.231 K(o=-5,f=-7.2) USER MOD Set 1.2: A 94 MET CE :methyl -168:sc= -1.22 (180deg=-1.56) USER MOD Set 1.3: A 121 GLN : amide:sc= -1.57! C(o=-5!,f=-13!) USER MOD Set 1.4: A 154 MET CE :methyl -177:sc= -2.02 (180deg=-1.32) USER MOD Set 2.1: A 43 SER OG : rot -28:sc= 2.07 USER MOD Set 2.2: A 63 TYR OH : rot 123:sc= 0.00814 USER MOD Set 2.3: A 134 SER OG : rot -38:sc= 1.03 USER MOD Set 2.4: A 136 SER OG : rot 93:sc= 0 USER MOD Set 3.1: A 35 GLN : amide:sc= 0.104 K(o=0.2,f=-0.67) USER MOD Set 3.2: A 62 ASN : amide:sc= 0.0936 K(o=0.2,f=-0.67) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 1.81 (180deg=0.351) USER MOD Single : A 2 SER OG : rot 29:sc= 1.04 USER MOD Single : A 4 LYS NZ :NH3+ 136:sc= 1.01 (180deg=-0.874) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 74:sc= 0.912 USER MOD Single : A 13 MET CE :methyl 147:sc= -0.0141 (180deg=-0.361) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -169:sc= -0.138 (180deg=-0.268) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.248 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.325 X(o=-0.32,f=-0.0099) USER MOD Single : A 33 GLN : amide:sc= 0.638 K(o=0.64,f=-0.35) USER MOD Single : A 36 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.0055) USER MOD Single : A 39 TYR OH : rot 30:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 HIS :FLIP no HD1:sc= 0.0332 F(o=-0.58,f=0.033) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -152:sc= 2.18 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -161:sc= 1.23 USER MOD Single : A 72 GLN : amide:sc= -0.0522 X(o=-0.052,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.366 K(o=-0.37,f=-3.7!) USER MOD Single : A 87 ASN : amide:sc= 0.56 K(o=0.56,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0.874 K(o=0.87,f=-0.034) USER MOD Single : A 96 ASN : amide:sc= 0.536 K(o=0.54,f=-6!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 1.01 K(o=1,f=-0.2) USER MOD Single : A 113 HIS : no HE2:sc= 0.151 K(o=0.15,f=-3.4!) USER MOD Single : A 120 THR OG1 : rot -129:sc= 0.426 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 177:sc= -0.537 (180deg=-0.56) USER MOD Single : A 138 CYS SG : rot -70:sc= 0.429 USER MOD Single : A 139 SER OG : rot 180:sc= 0.096 USER MOD Single : A 147 SER OG : rot 75:sc= 0.00712 USER MOD Single : A 151 GLN :FLIP amide:sc= -0.506 F(o=-1.4!,f=-0.51) USER MOD Single : A 153 LYS NZ :NH3+ -171:sc= 0.474 (180deg=0.273) USER MOD Single : A 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 161 SER OG : rot -170:sc= 0 USER MOD Single : A 163 MET CE :methyl 172:sc= -1.41 (180deg=-1.7) USER MOD Single : A 166 MET CE :methyl -152:sc= -0.269 (180deg=-1.79) USER MOD Single : A 169 ASN : amide:sc= -0.0363 X(o=-0.036,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.187 28.935 9.737 1.00 8.86 N ATOM 2 CA MET A 1 1.258 28.956 10.073 1.00 7.21 C ATOM 3 C MET A 1 1.440 29.122 11.582 1.00 6.40 C ATOM 4 O MET A 1 1.159 30.195 12.115 1.00 7.30 O ATOM 5 CB MET A 1 2.040 30.052 9.318 1.00 7.39 C ATOM 6 CG MET A 1 2.071 29.867 7.794 1.00 8.48 C ATOM 7 SD MET A 1 0.535 30.293 6.920 1.00 9.97 S ATOM 8 CE MET A 1 1.057 29.989 5.210 1.00 10.95 C ATOM 0 H1 MET A 1 -0.337 29.400 8.819 1.00 8.86 H new ATOM 0 H2 MET A 1 -0.517 27.950 9.684 1.00 8.86 H new ATOM 0 H3 MET A 1 -0.722 29.440 10.472 1.00 8.86 H new ATOM 0 HA MET A 1 1.672 28.000 9.751 1.00 7.21 H new ATOM 0 HB2 MET A 1 1.597 31.021 9.546 1.00 7.39 H new ATOM 0 HB3 MET A 1 3.064 30.074 9.691 1.00 7.39 H new ATOM 0 HG2 MET A 1 2.879 30.475 7.388 1.00 8.48 H new ATOM 0 HG3 MET A 1 2.315 28.827 7.577 1.00 8.48 H new ATOM 0 HE1 MET A 1 0.229 30.202 4.534 1.00 10.95 H new ATOM 0 HE2 MET A 1 1.900 30.635 4.967 1.00 10.95 H new ATOM 0 HE3 MET A 1 1.356 28.946 5.101 1.00 10.95 H new ATOM 20 N SER A 2 1.895 28.085 12.289 1.00 5.34 N ATOM 21 CA SER A 2 2.141 28.093 13.755 1.00 5.22 C ATOM 22 C SER A 2 3.080 26.951 14.210 1.00 3.85 C ATOM 23 O SER A 2 2.954 26.428 15.319 1.00 4.69 O ATOM 24 CB SER A 2 0.806 28.078 14.540 1.00 7.11 C ATOM 25 OG SER A 2 0.153 29.342 14.541 1.00 8.26 O ATOM 0 H SER A 2 2.112 27.187 11.857 1.00 5.34 H new ATOM 0 HA SER A 2 2.660 29.024 13.984 1.00 5.22 H new ATOM 0 HB2 SER A 2 0.142 27.331 14.104 1.00 7.11 H new ATOM 0 HB3 SER A 2 0.998 27.772 15.569 1.00 7.11 H new ATOM 0 HG SER A 2 0.388 29.832 13.726 1.00 8.26 H new ATOM 31 N ASP A 3 4.013 26.527 13.342 1.00 2.54 N ATOM 32 CA ASP A 3 5.038 25.486 13.564 1.00 2.61 C ATOM 33 C ASP A 3 4.452 24.056 13.677 1.00 2.83 C ATOM 34 O ASP A 3 5.146 23.118 14.069 1.00 4.31 O ATOM 35 CB ASP A 3 5.930 25.805 14.785 1.00 3.60 C ATOM 36 CG ASP A 3 6.176 27.298 15.074 1.00 4.04 C ATOM 37 OD1 ASP A 3 6.722 28.014 14.201 1.00 4.25 O ATOM 38 OD2 ASP A 3 5.853 27.737 16.206 1.00 5.00 O ATOM 0 H ASP A 3 4.078 26.926 12.405 1.00 2.54 H new ATOM 0 HA ASP A 3 5.659 25.501 12.669 1.00 2.61 H new ATOM 0 HB2 ASP A 3 5.476 25.355 15.668 1.00 3.60 H new ATOM 0 HB3 ASP A 3 6.895 25.320 14.640 1.00 3.60 H new ATOM 43 N LYS A 4 3.150 23.908 13.402 1.00 1.83 N ATOM 44 CA LYS A 4 2.291 22.763 13.759 1.00 1.81 C ATOM 45 C LYS A 4 1.283 22.448 12.632 1.00 1.46 C ATOM 46 O LYS A 4 0.325 21.698 12.816 1.00 1.37 O ATOM 47 CB LYS A 4 1.553 23.098 15.076 1.00 2.13 C ATOM 48 CG LYS A 4 2.479 23.226 16.302 1.00 3.31 C ATOM 49 CD LYS A 4 1.814 24.028 17.435 1.00 3.50 C ATOM 50 CE LYS A 4 2.820 24.548 18.476 1.00 4.66 C ATOM 51 NZ LYS A 4 3.808 25.489 17.884 1.00 5.31 N ATOM 0 H LYS A 4 2.633 24.626 12.894 1.00 1.83 H new ATOM 0 HA LYS A 4 2.908 21.875 13.894 1.00 1.81 H new ATOM 0 HB2 LYS A 4 1.008 24.033 14.947 1.00 2.13 H new ATOM 0 HB3 LYS A 4 0.813 22.322 15.273 1.00 2.13 H new ATOM 0 HG2 LYS A 4 2.742 22.232 16.665 1.00 3.31 H new ATOM 0 HG3 LYS A 4 3.408 23.714 16.007 1.00 3.31 H new ATOM 0 HD2 LYS A 4 1.274 24.873 17.006 1.00 3.50 H new ATOM 0 HD3 LYS A 4 1.077 23.399 17.933 1.00 3.50 H new ATOM 0 HE2 LYS A 4 2.281 25.049 19.280 1.00 4.66 H new ATOM 0 HE3 LYS A 4 3.347 23.704 18.922 1.00 4.66 H new ATOM 0 HZ1 LYS A 4 3.931 26.306 18.516 1.00 5.31 H new ATOM 0 HZ2 LYS A 4 4.720 25.004 17.763 1.00 5.31 H new ATOM 0 HZ3 LYS A 4 3.465 25.816 16.958 1.00 5.31 H new ATOM 65 N ASP A 5 1.463 23.031 11.449 1.00 1.43 N ATOM 66 CA ASP A 5 0.544 22.916 10.313 1.00 1.34 C ATOM 67 C ASP A 5 0.502 21.482 9.746 1.00 1.24 C ATOM 68 O ASP A 5 -0.554 21.007 9.332 1.00 1.21 O ATOM 69 CB ASP A 5 0.969 23.950 9.261 1.00 1.65 C ATOM 70 CG ASP A 5 0.890 25.384 9.813 1.00 3.42 C ATOM 71 OD1 ASP A 5 1.825 25.812 10.535 1.00 4.58 O ATOM 72 OD2 ASP A 5 -0.109 26.085 9.534 1.00 4.68 O ATOM 0 H ASP A 5 2.275 23.614 11.246 1.00 1.43 H new ATOM 0 HA ASP A 5 -0.476 23.123 10.636 1.00 1.34 H new ATOM 0 HB2 ASP A 5 1.988 23.741 8.935 1.00 1.65 H new ATOM 0 HB3 ASP A 5 0.329 23.861 8.383 1.00 1.65 H new ATOM 77 N PHE A 6 1.630 20.765 9.809 1.00 1.29 N ATOM 78 CA PHE A 6 1.740 19.323 9.543 1.00 1.29 C ATOM 79 C PHE A 6 1.045 18.451 10.608 1.00 1.21 C ATOM 80 O PHE A 6 0.410 17.455 10.263 1.00 1.16 O ATOM 81 CB PHE A 6 3.220 18.941 9.343 1.00 1.56 C ATOM 82 CG PHE A 6 4.228 19.757 10.138 1.00 2.85 C ATOM 83 CD1 PHE A 6 4.432 19.509 11.509 1.00 2.93 C ATOM 84 CD2 PHE A 6 4.934 20.798 9.504 1.00 4.99 C ATOM 85 CE1 PHE A 6 5.333 20.303 12.240 1.00 4.85 C ATOM 86 CE2 PHE A 6 5.840 21.587 10.234 1.00 6.83 C ATOM 87 CZ PHE A 6 6.040 21.337 11.602 1.00 6.70 C ATOM 0 H PHE A 6 2.525 21.187 10.056 1.00 1.29 H new ATOM 0 HA PHE A 6 1.199 19.115 8.620 1.00 1.29 H new ATOM 0 HB2 PHE A 6 3.343 17.890 9.606 1.00 1.56 H new ATOM 0 HB3 PHE A 6 3.460 19.035 8.284 1.00 1.56 H new ATOM 0 HD1 PHE A 6 3.897 18.709 11.999 1.00 2.93 H new ATOM 0 HD2 PHE A 6 4.779 20.991 8.453 1.00 4.99 H new ATOM 0 HE1 PHE A 6 5.482 20.118 13.294 1.00 4.85 H new ATOM 0 HE2 PHE A 6 6.381 22.383 9.744 1.00 6.83 H new ATOM 0 HZ PHE A 6 6.738 21.940 12.164 1.00 6.70 H new ATOM 97 N PHE A 7 1.120 18.827 11.892 1.00 1.25 N ATOM 98 CA PHE A 7 0.335 18.201 12.968 1.00 1.24 C ATOM 99 C PHE A 7 -1.163 18.419 12.738 1.00 1.13 C ATOM 100 O PHE A 7 -1.957 17.506 12.932 1.00 1.07 O ATOM 101 CB PHE A 7 0.762 18.775 14.331 1.00 1.35 C ATOM 102 CG PHE A 7 -0.265 18.639 15.443 1.00 1.35 C ATOM 103 CD1 PHE A 7 -0.384 17.440 16.171 1.00 2.27 C ATOM 104 CD2 PHE A 7 -1.127 19.717 15.732 1.00 2.45 C ATOM 105 CE1 PHE A 7 -1.355 17.323 17.184 1.00 2.20 C ATOM 106 CE2 PHE A 7 -2.098 19.600 16.742 1.00 2.56 C ATOM 107 CZ PHE A 7 -2.211 18.402 17.469 1.00 1.44 C ATOM 0 H PHE A 7 1.730 19.578 12.216 1.00 1.25 H new ATOM 0 HA PHE A 7 0.526 17.128 12.963 1.00 1.24 H new ATOM 0 HB2 PHE A 7 1.680 18.279 14.644 1.00 1.35 H new ATOM 0 HB3 PHE A 7 0.998 19.832 14.204 1.00 1.35 H new ATOM 0 HD1 PHE A 7 0.270 16.609 15.952 1.00 2.27 H new ATOM 0 HD2 PHE A 7 -1.041 20.638 15.174 1.00 2.45 H new ATOM 0 HE1 PHE A 7 -1.443 16.403 17.743 1.00 2.20 H new ATOM 0 HE2 PHE A 7 -2.756 20.429 16.959 1.00 2.56 H new ATOM 0 HZ PHE A 7 -2.955 18.310 18.246 1.00 1.44 H new ATOM 117 N SER A 8 -1.554 19.609 12.289 1.00 1.13 N ATOM 118 CA SER A 8 -2.952 19.939 12.012 1.00 1.08 C ATOM 119 C SER A 8 -3.485 19.162 10.794 1.00 0.96 C ATOM 120 O SER A 8 -4.623 18.691 10.799 1.00 0.91 O ATOM 121 CB SER A 8 -3.096 21.453 11.806 1.00 1.15 C ATOM 122 OG SER A 8 -4.463 21.839 11.816 1.00 1.14 O ATOM 0 H SER A 8 -0.908 20.376 12.106 1.00 1.13 H new ATOM 0 HA SER A 8 -3.554 19.640 12.870 1.00 1.08 H new ATOM 0 HB2 SER A 8 -2.559 21.984 12.592 1.00 1.15 H new ATOM 0 HB3 SER A 8 -2.640 21.740 10.858 1.00 1.15 H new ATOM 0 HG SER A 8 -4.530 22.808 11.685 1.00 1.14 H new ATOM 128 N TRP A 9 -2.638 18.922 9.783 1.00 0.95 N ATOM 129 CA TRP A 9 -2.944 18.039 8.651 1.00 0.86 C ATOM 130 C TRP A 9 -3.166 16.607 9.152 1.00 0.74 C ATOM 131 O TRP A 9 -4.139 15.959 8.761 1.00 0.69 O ATOM 132 CB TRP A 9 -1.802 18.113 7.619 1.00 0.92 C ATOM 133 CG TRP A 9 -2.012 17.379 6.322 1.00 0.92 C ATOM 134 CD1 TRP A 9 -2.106 16.036 6.177 1.00 1.51 C ATOM 135 CD2 TRP A 9 -2.112 17.925 4.966 1.00 1.81 C ATOM 136 NE1 TRP A 9 -2.296 15.719 4.847 1.00 1.19 N ATOM 137 CE2 TRP A 9 -2.306 16.844 4.053 1.00 1.42 C ATOM 138 CE3 TRP A 9 -2.048 19.221 4.408 1.00 3.37 C ATOM 139 CZ2 TRP A 9 -2.445 17.035 2.670 1.00 2.36 C ATOM 140 CZ3 TRP A 9 -2.176 19.426 3.019 1.00 4.44 C ATOM 141 CH2 TRP A 9 -2.378 18.338 2.150 1.00 3.92 C ATOM 0 H TRP A 9 -1.710 19.341 9.729 1.00 0.95 H new ATOM 0 HA TRP A 9 -3.863 18.364 8.162 1.00 0.86 H new ATOM 0 HB2 TRP A 9 -1.619 19.163 7.390 1.00 0.92 H new ATOM 0 HB3 TRP A 9 -0.896 17.726 8.086 1.00 0.92 H new ATOM 0 HD1 TRP A 9 -2.042 15.319 6.982 1.00 1.51 H new ATOM 0 HE1 TRP A 9 -2.414 14.769 4.496 1.00 1.19 H new ATOM 0 HE3 TRP A 9 -1.898 20.071 5.057 1.00 3.37 H new ATOM 0 HZ2 TRP A 9 -2.601 16.191 2.014 1.00 2.36 H new ATOM 0 HZ3 TRP A 9 -2.118 20.427 2.618 1.00 4.44 H new ATOM 0 HH2 TRP A 9 -2.481 18.504 1.088 1.00 3.92 H new ATOM 152 N ARG A 10 -2.320 16.139 10.085 1.00 0.72 N ATOM 153 CA ARG A 10 -2.486 14.825 10.719 1.00 0.64 C ATOM 154 C ARG A 10 -3.780 14.756 11.539 1.00 0.64 C ATOM 155 O ARG A 10 -4.519 13.783 11.432 1.00 0.59 O ATOM 156 CB ARG A 10 -1.266 14.475 11.589 1.00 0.69 C ATOM 157 CG ARG A 10 -1.148 12.949 11.696 1.00 0.84 C ATOM 158 CD ARG A 10 -0.078 12.471 12.681 1.00 1.37 C ATOM 159 NE ARG A 10 -0.521 12.633 14.079 1.00 1.80 N ATOM 160 CZ ARG A 10 0.100 13.283 15.057 1.00 2.52 C ATOM 161 NH1 ARG A 10 1.230 13.931 14.864 1.00 2.96 N ATOM 162 NH2 ARG A 10 -0.419 13.281 16.265 1.00 3.55 N ATOM 0 H ARG A 10 -1.508 16.659 10.418 1.00 0.72 H new ATOM 0 HA ARG A 10 -2.560 14.084 9.923 1.00 0.64 H new ATOM 0 HB2 ARG A 10 -0.359 14.893 11.151 1.00 0.69 H new ATOM 0 HB3 ARG A 10 -1.373 14.915 12.581 1.00 0.69 H new ATOM 0 HG2 ARG A 10 -2.113 12.541 11.998 1.00 0.84 H new ATOM 0 HG3 ARG A 10 -0.925 12.543 10.709 1.00 0.84 H new ATOM 0 HD2 ARG A 10 0.152 11.423 12.490 1.00 1.37 H new ATOM 0 HD3 ARG A 10 0.842 13.033 12.522 1.00 1.37 H new ATOM 0 HE ARG A 10 -1.409 12.194 14.323 1.00 1.80 H new ATOM 0 HH11 ARG A 10 1.658 13.945 13.938 1.00 2.96 H new ATOM 0 HH12 ARG A 10 1.677 14.419 15.640 1.00 2.96 H new ATOM 0 HH21 ARG A 10 -1.291 12.783 16.445 1.00 3.55 H new ATOM 0 HH22 ARG A 10 0.050 13.777 17.023 1.00 3.55 H new ATOM 176 N ARG A 11 -4.103 15.811 12.299 1.00 0.73 N ATOM 177 CA ARG A 11 -5.334 15.923 13.096 1.00 0.77 C ATOM 178 C ARG A 11 -6.581 15.881 12.198 1.00 0.72 C ATOM 179 O ARG A 11 -7.533 15.155 12.495 1.00 0.72 O ATOM 180 CB ARG A 11 -5.295 17.211 13.941 1.00 0.89 C ATOM 181 CG ARG A 11 -6.506 17.275 14.883 1.00 1.12 C ATOM 182 CD ARG A 11 -6.560 18.541 15.742 1.00 1.72 C ATOM 183 NE ARG A 11 -7.825 18.569 16.502 1.00 1.93 N ATOM 184 CZ ARG A 11 -8.092 19.258 17.604 1.00 2.84 C ATOM 185 NH1 ARG A 11 -7.210 20.058 18.165 1.00 4.08 N ATOM 186 NH2 ARG A 11 -9.277 19.145 18.166 1.00 3.08 N ATOM 0 H ARG A 11 -3.501 16.631 12.379 1.00 0.73 H new ATOM 0 HA ARG A 11 -5.394 15.068 13.770 1.00 0.77 H new ATOM 0 HB2 ARG A 11 -4.373 17.244 14.522 1.00 0.89 H new ATOM 0 HB3 ARG A 11 -5.290 18.082 13.286 1.00 0.89 H new ATOM 0 HG2 ARG A 11 -7.418 17.211 14.290 1.00 1.12 H new ATOM 0 HG3 ARG A 11 -6.490 16.404 15.538 1.00 1.12 H new ATOM 0 HD2 ARG A 11 -5.712 18.565 16.426 1.00 1.72 H new ATOM 0 HD3 ARG A 11 -6.484 19.425 15.110 1.00 1.72 H new ATOM 0 HE ARG A 11 -8.582 17.991 16.137 1.00 1.93 H new ATOM 0 HH11 ARG A 11 -6.283 20.165 17.752 1.00 4.08 H new ATOM 0 HH12 ARG A 11 -7.453 20.571 19.012 1.00 4.08 H new ATOM 0 HH21 ARG A 11 -9.980 18.532 17.754 1.00 3.08 H new ATOM 0 HH22 ARG A 11 -9.492 19.671 19.013 1.00 3.08 H new ATOM 200 N THR A 12 -6.548 16.616 11.078 1.00 0.73 N ATOM 201 CA THR A 12 -7.613 16.648 10.062 1.00 0.74 C ATOM 202 C THR A 12 -7.829 15.261 9.482 1.00 0.62 C ATOM 203 O THR A 12 -8.964 14.802 9.416 1.00 0.63 O ATOM 204 CB THR A 12 -7.273 17.661 8.960 1.00 0.83 C ATOM 205 OG1 THR A 12 -7.151 18.940 9.542 1.00 1.00 O ATOM 206 CG2 THR A 12 -8.362 17.750 7.888 1.00 0.85 C ATOM 0 H THR A 12 -5.760 17.221 10.846 1.00 0.73 H new ATOM 0 HA THR A 12 -8.542 16.966 10.536 1.00 0.74 H new ATOM 0 HB THR A 12 -6.348 17.328 8.490 1.00 0.83 H new ATOM 0 HG1 THR A 12 -6.308 18.994 10.038 1.00 1.00 H new ATOM 0 HG21 THR A 12 -8.071 18.481 7.133 1.00 0.85 H new ATOM 0 HG22 THR A 12 -8.491 16.775 7.418 1.00 0.85 H new ATOM 0 HG23 THR A 12 -9.301 18.058 8.348 1.00 0.85 H new ATOM 214 N MET A 13 -6.752 14.556 9.133 1.00 0.54 N ATOM 215 CA MET A 13 -6.853 13.191 8.615 1.00 0.46 C ATOM 216 C MET A 13 -7.348 12.209 9.678 1.00 0.46 C ATOM 217 O MET A 13 -8.212 11.403 9.364 1.00 0.47 O ATOM 218 CB MET A 13 -5.524 12.743 7.978 1.00 0.46 C ATOM 219 CG MET A 13 -5.747 12.220 6.553 1.00 0.94 C ATOM 220 SD MET A 13 -6.590 13.337 5.394 1.00 1.23 S ATOM 221 CE MET A 13 -5.580 14.827 5.549 1.00 1.22 C ATOM 0 H MET A 13 -5.797 14.909 9.200 1.00 0.54 H new ATOM 0 HA MET A 13 -7.607 13.191 7.828 1.00 0.46 H new ATOM 0 HB2 MET A 13 -4.826 13.580 7.957 1.00 0.46 H new ATOM 0 HB3 MET A 13 -5.068 11.963 8.588 1.00 0.46 H new ATOM 0 HG2 MET A 13 -4.776 11.961 6.130 1.00 0.94 H new ATOM 0 HG3 MET A 13 -6.324 11.297 6.616 1.00 0.94 H new ATOM 0 HE1 MET A 13 -5.549 15.347 4.591 1.00 1.22 H new ATOM 0 HE2 MET A 13 -6.013 15.483 6.304 1.00 1.22 H new ATOM 0 HE3 MET A 13 -4.568 14.551 5.845 1.00 1.22 H new ATOM 231 N LEU A 14 -6.905 12.316 10.935 1.00 0.52 N ATOM 232 CA LEU A 14 -7.368 11.479 12.055 1.00 0.61 C ATOM 233 C LEU A 14 -8.881 11.605 12.256 1.00 0.63 C ATOM 234 O LEU A 14 -9.564 10.595 12.432 1.00 0.67 O ATOM 235 CB LEU A 14 -6.584 11.848 13.340 1.00 0.74 C ATOM 236 CG LEU A 14 -5.414 10.877 13.593 1.00 1.03 C ATOM 237 CD1 LEU A 14 -4.343 11.437 14.536 1.00 2.24 C ATOM 238 CD2 LEU A 14 -5.939 9.549 14.161 1.00 1.59 C ATOM 0 H LEU A 14 -6.200 13.000 11.211 1.00 0.52 H new ATOM 0 HA LEU A 14 -7.171 10.433 11.820 1.00 0.61 H new ATOM 0 HB2 LEU A 14 -6.201 12.865 13.253 1.00 0.74 H new ATOM 0 HB3 LEU A 14 -7.260 11.834 14.195 1.00 0.74 H new ATOM 0 HG LEU A 14 -4.939 10.722 12.624 1.00 1.03 H new ATOM 0 HD11 LEU A 14 -3.552 10.699 14.667 1.00 2.24 H new ATOM 0 HD12 LEU A 14 -3.923 12.348 14.109 1.00 2.24 H new ATOM 0 HD13 LEU A 14 -4.792 11.663 15.503 1.00 2.24 H new ATOM 0 HD21 LEU A 14 -5.103 8.872 14.335 1.00 1.59 H new ATOM 0 HD22 LEU A 14 -6.457 9.735 15.102 1.00 1.59 H new ATOM 0 HD23 LEU A 14 -6.630 9.097 13.449 1.00 1.59 H new ATOM 250 N LEU A 15 -9.414 12.827 12.154 1.00 0.63 N ATOM 251 CA LEU A 15 -10.853 13.099 12.184 1.00 0.68 C ATOM 252 C LEU A 15 -11.540 12.461 10.971 1.00 0.62 C ATOM 253 O LEU A 15 -12.509 11.723 11.152 1.00 0.64 O ATOM 254 CB LEU A 15 -11.024 14.631 12.318 1.00 0.75 C ATOM 255 CG LEU A 15 -12.443 15.183 12.571 1.00 1.03 C ATOM 256 CD1 LEU A 15 -13.334 15.033 11.339 1.00 1.28 C ATOM 257 CD2 LEU A 15 -13.135 14.535 13.781 1.00 1.25 C ATOM 0 H LEU A 15 -8.847 13.668 12.047 1.00 0.63 H new ATOM 0 HA LEU A 15 -11.352 12.642 13.038 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -10.384 14.968 13.134 1.00 0.75 H new ATOM 0 HB3 LEU A 15 -10.645 15.090 11.405 1.00 0.75 H new ATOM 0 HG LEU A 15 -12.305 16.241 12.792 1.00 1.03 H new ATOM 0 HD11 LEU A 15 -14.325 15.433 11.556 1.00 1.28 H new ATOM 0 HD12 LEU A 15 -12.896 15.581 10.505 1.00 1.28 H new ATOM 0 HD13 LEU A 15 -13.418 13.978 11.077 1.00 1.28 H new ATOM 0 HD21 LEU A 15 -14.128 14.966 13.906 1.00 1.25 H new ATOM 0 HD22 LEU A 15 -13.223 13.461 13.618 1.00 1.25 H new ATOM 0 HD23 LEU A 15 -12.545 14.718 14.679 1.00 1.25 H new ATOM 269 N ARG A 16 -10.996 12.630 9.761 1.00 0.58 N ATOM 270 CA ARG A 16 -11.577 12.038 8.547 1.00 0.59 C ATOM 271 C ARG A 16 -11.582 10.505 8.596 1.00 0.59 C ATOM 272 O ARG A 16 -12.609 9.898 8.304 1.00 0.64 O ATOM 273 CB ARG A 16 -10.858 12.562 7.299 1.00 0.61 C ATOM 274 CG ARG A 16 -11.209 14.041 7.057 1.00 0.68 C ATOM 275 CD ARG A 16 -10.481 14.594 5.834 1.00 0.76 C ATOM 276 NE ARG A 16 -11.105 14.103 4.590 1.00 1.09 N ATOM 277 CZ ARG A 16 -10.531 13.382 3.634 1.00 2.32 C ATOM 278 NH1 ARG A 16 -9.241 13.143 3.614 1.00 3.81 N ATOM 279 NH2 ARG A 16 -11.261 12.867 2.674 1.00 2.94 N ATOM 0 H ARG A 16 -10.150 13.175 9.594 1.00 0.58 H new ATOM 0 HA ARG A 16 -12.621 12.347 8.494 1.00 0.59 H new ATOM 0 HB2 ARG A 16 -9.780 12.453 7.420 1.00 0.61 H new ATOM 0 HB3 ARG A 16 -11.143 11.968 6.431 1.00 0.61 H new ATOM 0 HG2 ARG A 16 -12.285 14.143 6.918 1.00 0.68 H new ATOM 0 HG3 ARG A 16 -10.944 14.628 7.936 1.00 0.68 H new ATOM 0 HD2 ARG A 16 -10.504 15.684 5.853 1.00 0.76 H new ATOM 0 HD3 ARG A 16 -9.433 14.297 5.863 1.00 0.76 H new ATOM 0 HE ARG A 16 -12.086 14.344 4.449 1.00 1.09 H new ATOM 0 HH11 ARG A 16 -8.642 13.516 4.350 1.00 3.81 H new ATOM 0 HH12 ARG A 16 -8.837 12.584 2.862 1.00 3.81 H new ATOM 0 HH21 ARG A 16 -12.269 13.020 2.662 1.00 2.94 H new ATOM 0 HH22 ARG A 16 -10.820 12.313 1.939 1.00 2.94 H new ATOM 293 N PHE A 17 -10.485 9.874 9.033 1.00 0.56 N ATOM 294 CA PHE A 17 -10.348 8.422 9.198 1.00 0.59 C ATOM 295 C PHE A 17 -11.333 7.865 10.237 1.00 0.67 C ATOM 296 O PHE A 17 -11.860 6.771 10.045 1.00 0.71 O ATOM 297 CB PHE A 17 -8.900 8.049 9.553 1.00 0.57 C ATOM 298 CG PHE A 17 -7.941 7.984 8.374 1.00 0.54 C ATOM 299 CD1 PHE A 17 -8.115 7.015 7.363 1.00 1.87 C ATOM 300 CD2 PHE A 17 -6.819 8.830 8.329 1.00 2.14 C ATOM 301 CE1 PHE A 17 -7.174 6.897 6.322 1.00 1.94 C ATOM 302 CE2 PHE A 17 -5.875 8.720 7.294 1.00 2.18 C ATOM 303 CZ PHE A 17 -6.060 7.755 6.290 1.00 0.80 C ATOM 0 H PHE A 17 -9.637 10.380 9.291 1.00 0.56 H new ATOM 0 HA PHE A 17 -10.598 7.960 8.243 1.00 0.59 H new ATOM 0 HB2 PHE A 17 -8.520 8.776 10.271 1.00 0.57 H new ATOM 0 HB3 PHE A 17 -8.903 7.080 10.052 1.00 0.57 H new ATOM 0 HD1 PHE A 17 -8.974 6.361 7.388 1.00 1.87 H new ATOM 0 HD2 PHE A 17 -6.681 9.574 9.100 1.00 2.14 H new ATOM 0 HE1 PHE A 17 -7.307 6.151 5.552 1.00 1.94 H new ATOM 0 HE2 PHE A 17 -5.014 9.372 7.271 1.00 2.18 H new ATOM 0 HZ PHE A 17 -5.342 7.671 5.488 1.00 0.80 H new ATOM 313 N GLN A 18 -11.635 8.619 11.300 1.00 0.70 N ATOM 314 CA GLN A 18 -12.673 8.249 12.262 1.00 0.77 C ATOM 315 C GLN A 18 -14.083 8.400 11.659 1.00 0.79 C ATOM 316 O GLN A 18 -14.935 7.536 11.874 1.00 0.93 O ATOM 317 CB GLN A 18 -12.485 9.082 13.545 1.00 0.80 C ATOM 318 CG GLN A 18 -13.175 8.424 14.752 1.00 1.11 C ATOM 319 CD GLN A 18 -12.802 9.093 16.078 1.00 1.70 C ATOM 320 OE1 GLN A 18 -13.611 9.742 16.731 1.00 2.02 O ATOM 321 NE2 GLN A 18 -11.567 8.968 16.530 1.00 3.08 N ATOM 0 H GLN A 18 -11.167 9.499 11.515 1.00 0.70 H new ATOM 0 HA GLN A 18 -12.574 7.194 12.518 1.00 0.77 H new ATOM 0 HB2 GLN A 18 -11.421 9.198 13.752 1.00 0.80 H new ATOM 0 HB3 GLN A 18 -12.891 10.082 13.393 1.00 0.80 H new ATOM 0 HG2 GLN A 18 -14.256 8.469 14.618 1.00 1.11 H new ATOM 0 HG3 GLN A 18 -12.902 7.369 14.792 1.00 1.11 H new ATOM 0 HE21 GLN A 18 -10.881 8.431 15.999 1.00 3.08 H new ATOM 0 HE22 GLN A 18 -11.299 9.408 17.410 1.00 3.08 H new ATOM 330 N ARG A 19 -14.319 9.450 10.858 1.00 0.81 N ATOM 331 CA ARG A 19 -15.607 9.722 10.202 1.00 0.86 C ATOM 332 C ARG A 19 -15.941 8.815 9.004 1.00 1.01 C ATOM 333 O ARG A 19 -17.091 8.818 8.558 1.00 1.19 O ATOM 334 CB ARG A 19 -15.708 11.210 9.813 1.00 0.97 C ATOM 335 CG ARG A 19 -15.866 12.189 10.993 1.00 1.55 C ATOM 336 CD ARG A 19 -17.263 12.250 11.637 1.00 1.19 C ATOM 337 NE ARG A 19 -17.535 11.120 12.550 1.00 1.90 N ATOM 338 CZ ARG A 19 -18.311 10.062 12.323 1.00 2.73 C ATOM 339 NH1 ARG A 19 -19.019 9.919 11.225 1.00 3.12 N ATOM 340 NH2 ARG A 19 -18.355 9.081 13.196 1.00 4.27 N ATOM 0 H ARG A 19 -13.606 10.147 10.644 1.00 0.81 H new ATOM 0 HA ARG A 19 -16.364 9.478 10.948 1.00 0.86 H new ATOM 0 HB2 ARG A 19 -14.814 11.484 9.252 1.00 0.97 H new ATOM 0 HB3 ARG A 19 -16.557 11.336 9.141 1.00 0.97 H new ATOM 0 HG2 ARG A 19 -15.144 11.918 11.763 1.00 1.55 H new ATOM 0 HG3 ARG A 19 -15.603 13.189 10.647 1.00 1.55 H new ATOM 0 HD2 ARG A 19 -17.361 13.185 12.188 1.00 1.19 H new ATOM 0 HD3 ARG A 19 -18.018 12.263 10.851 1.00 1.19 H new ATOM 0 HE ARG A 19 -17.075 11.155 13.460 1.00 1.90 H new ATOM 0 HH11 ARG A 19 -18.988 10.637 10.501 1.00 3.12 H new ATOM 0 HH12 ARG A 19 -19.599 9.090 11.097 1.00 3.12 H new ATOM 0 HH21 ARG A 19 -17.795 9.130 14.047 1.00 4.27 H new ATOM 0 HH22 ARG A 19 -18.949 8.270 13.023 1.00 4.27 H new ATOM 354 N MET A 20 -14.997 8.003 8.510 1.00 0.94 N ATOM 355 CA MET A 20 -15.229 6.991 7.459 1.00 0.96 C ATOM 356 C MET A 20 -16.395 6.044 7.756 1.00 1.14 C ATOM 357 O MET A 20 -17.120 5.657 6.841 1.00 2.66 O ATOM 358 CB MET A 20 -13.969 6.130 7.277 1.00 0.83 C ATOM 359 CG MET A 20 -12.758 6.937 6.818 1.00 0.80 C ATOM 360 SD MET A 20 -12.956 7.921 5.320 1.00 0.91 S ATOM 361 CE MET A 20 -11.308 8.651 5.309 1.00 0.69 C ATOM 0 H MET A 20 -14.030 8.028 8.833 1.00 0.94 H new ATOM 0 HA MET A 20 -15.475 7.555 6.560 1.00 0.96 H new ATOM 0 HB2 MET A 20 -13.734 5.636 8.220 1.00 0.83 H new ATOM 0 HB3 MET A 20 -14.174 5.346 6.548 1.00 0.83 H new ATOM 0 HG2 MET A 20 -12.469 7.606 7.628 1.00 0.80 H new ATOM 0 HG3 MET A 20 -11.929 6.247 6.664 1.00 0.80 H new ATOM 0 HE1 MET A 20 -11.270 9.452 4.570 1.00 0.69 H new ATOM 0 HE2 MET A 20 -11.083 9.056 6.296 1.00 0.69 H new ATOM 0 HE3 MET A 20 -10.573 7.887 5.054 1.00 0.69 H new ATOM 371 N GLU A 21 -16.526 5.620 9.021 1.00 1.65 N ATOM 372 CA GLU A 21 -17.545 4.687 9.532 1.00 1.82 C ATOM 373 C GLU A 21 -17.403 3.239 8.995 1.00 1.90 C ATOM 374 O GLU A 21 -18.100 2.344 9.482 1.00 1.94 O ATOM 375 CB GLU A 21 -18.969 5.231 9.264 1.00 1.87 C ATOM 376 CG GLU A 21 -19.884 5.179 10.497 1.00 2.55 C ATOM 377 CD GLU A 21 -19.736 6.438 11.365 1.00 3.98 C ATOM 378 OE1 GLU A 21 -20.353 7.477 11.036 1.00 3.94 O ATOM 379 OE2 GLU A 21 -19.010 6.416 12.384 1.00 5.62 O ATOM 0 H GLU A 21 -15.892 5.934 9.755 1.00 1.65 H new ATOM 0 HA GLU A 21 -17.375 4.623 10.607 1.00 1.82 H new ATOM 0 HB2 GLU A 21 -18.897 6.262 8.918 1.00 1.87 H new ATOM 0 HB3 GLU A 21 -19.424 4.655 8.458 1.00 1.87 H new ATOM 0 HG2 GLU A 21 -20.921 5.077 10.177 1.00 2.55 H new ATOM 0 HG3 GLU A 21 -19.645 4.297 11.091 1.00 2.55 H new ATOM 386 N THR A 22 -16.532 2.999 7.997 1.00 1.93 N ATOM 387 CA THR A 22 -16.309 1.717 7.309 1.00 1.97 C ATOM 388 C THR A 22 -14.840 1.518 6.941 1.00 1.87 C ATOM 389 O THR A 22 -14.121 2.476 6.650 1.00 1.74 O ATOM 390 CB THR A 22 -17.154 1.586 6.030 1.00 2.00 C ATOM 391 OG1 THR A 22 -16.696 2.488 5.045 1.00 1.91 O ATOM 392 CG2 THR A 22 -18.652 1.811 6.232 1.00 2.04 C ATOM 0 H THR A 22 -15.932 3.737 7.630 1.00 1.93 H new ATOM 0 HA THR A 22 -16.615 0.948 8.018 1.00 1.97 H new ATOM 0 HB THR A 22 -17.027 0.551 5.714 1.00 2.00 H new ATOM 0 HG1 THR A 22 -17.241 2.393 4.236 1.00 1.91 H new ATOM 0 HG21 THR A 22 -19.169 1.699 5.279 1.00 2.04 H new ATOM 0 HG22 THR A 22 -19.037 1.079 6.942 1.00 2.04 H new ATOM 0 HG23 THR A 22 -18.820 2.816 6.620 1.00 2.04 H new ATOM 400 N ALA A 23 -14.414 0.256 6.862 1.00 1.92 N ATOM 401 CA ALA A 23 -13.099 -0.134 6.346 1.00 1.81 C ATOM 402 C ALA A 23 -12.922 0.259 4.871 1.00 1.68 C ATOM 403 O ALA A 23 -11.824 0.610 4.441 1.00 1.54 O ATOM 404 CB ALA A 23 -12.961 -1.653 6.522 1.00 1.97 C ATOM 0 H ALA A 23 -14.982 -0.537 7.159 1.00 1.92 H new ATOM 0 HA ALA A 23 -12.321 0.391 6.900 1.00 1.81 H new ATOM 0 HB1 ALA A 23 -11.990 -1.976 6.146 1.00 1.97 H new ATOM 0 HB2 ALA A 23 -13.044 -1.906 7.579 1.00 1.97 H new ATOM 0 HB3 ALA A 23 -13.751 -2.157 5.966 1.00 1.97 H new ATOM 410 N GLU A 24 -14.015 0.211 4.103 1.00 1.74 N ATOM 411 CA GLU A 24 -14.026 0.523 2.678 1.00 1.69 C ATOM 412 C GLU A 24 -13.632 1.985 2.436 1.00 1.42 C ATOM 413 O GLU A 24 -12.722 2.253 1.657 1.00 1.40 O ATOM 414 CB GLU A 24 -15.380 0.184 2.032 1.00 1.88 C ATOM 415 CG GLU A 24 -15.883 -1.224 2.388 1.00 2.23 C ATOM 416 CD GLU A 24 -17.117 -1.605 1.556 1.00 2.31 C ATOM 417 OE1 GLU A 24 -18.251 -1.231 1.940 1.00 3.29 O ATOM 418 OE2 GLU A 24 -16.963 -2.293 0.519 1.00 2.57 O ATOM 0 H GLU A 24 -14.932 -0.051 4.465 1.00 1.74 H new ATOM 0 HA GLU A 24 -13.279 -0.107 2.194 1.00 1.69 H new ATOM 0 HB2 GLU A 24 -16.121 0.919 2.348 1.00 1.88 H new ATOM 0 HB3 GLU A 24 -15.290 0.268 0.949 1.00 1.88 H new ATOM 0 HG2 GLU A 24 -15.088 -1.950 2.217 1.00 2.23 H new ATOM 0 HG3 GLU A 24 -16.130 -1.266 3.449 1.00 2.23 H new ATOM 425 N GLU A 25 -14.253 2.941 3.140 1.00 1.24 N ATOM 426 CA GLU A 25 -13.932 4.359 2.952 1.00 0.98 C ATOM 427 C GLU A 25 -12.537 4.712 3.507 1.00 0.92 C ATOM 428 O GLU A 25 -11.855 5.547 2.910 1.00 0.83 O ATOM 429 CB GLU A 25 -15.057 5.274 3.466 1.00 0.82 C ATOM 430 CG GLU A 25 -15.139 6.573 2.647 1.00 1.27 C ATOM 431 CD GLU A 25 -16.369 7.411 3.035 1.00 1.75 C ATOM 432 OE1 GLU A 25 -17.494 7.068 2.599 1.00 2.41 O ATOM 433 OE2 GLU A 25 -16.224 8.437 3.739 1.00 2.87 O ATOM 0 H GLU A 25 -14.974 2.759 3.838 1.00 1.24 H new ATOM 0 HA GLU A 25 -13.872 4.546 1.880 1.00 0.98 H new ATOM 0 HB2 GLU A 25 -16.010 4.747 3.413 1.00 0.82 H new ATOM 0 HB3 GLU A 25 -14.883 5.513 4.515 1.00 0.82 H new ATOM 0 HG2 GLU A 25 -14.234 7.160 2.804 1.00 1.27 H new ATOM 0 HG3 GLU A 25 -15.183 6.332 1.585 1.00 1.27 H new ATOM 440 N VAL A 26 -12.075 4.042 4.579 1.00 1.04 N ATOM 441 CA VAL A 26 -10.694 4.181 5.095 1.00 1.04 C ATOM 442 C VAL A 26 -9.691 3.886 3.993 1.00 1.07 C ATOM 443 O VAL A 26 -8.859 4.741 3.696 1.00 0.88 O ATOM 444 CB VAL A 26 -10.412 3.259 6.311 1.00 1.19 C ATOM 445 CG1 VAL A 26 -8.916 3.107 6.647 1.00 1.05 C ATOM 446 CG2 VAL A 26 -11.121 3.767 7.575 1.00 1.42 C ATOM 0 H VAL A 26 -12.646 3.388 5.114 1.00 1.04 H new ATOM 0 HA VAL A 26 -10.588 5.211 5.434 1.00 1.04 H new ATOM 0 HB VAL A 26 -10.798 2.286 6.008 1.00 1.19 H new ATOM 0 HG11 VAL A 26 -8.802 2.448 7.508 1.00 1.05 H new ATOM 0 HG12 VAL A 26 -8.392 2.680 5.791 1.00 1.05 H new ATOM 0 HG13 VAL A 26 -8.494 4.085 6.880 1.00 1.05 H new ATOM 0 HG21 VAL A 26 -10.903 3.099 8.408 1.00 1.42 H new ATOM 0 HG22 VAL A 26 -10.767 4.770 7.812 1.00 1.42 H new ATOM 0 HG23 VAL A 26 -12.197 3.793 7.403 1.00 1.42 H new ATOM 456 N TYR A 27 -9.765 2.707 3.369 1.00 1.37 N ATOM 457 CA TYR A 27 -8.793 2.368 2.333 1.00 1.52 C ATOM 458 C TYR A 27 -9.036 3.206 1.071 1.00 1.46 C ATOM 459 O TYR A 27 -8.090 3.708 0.480 1.00 1.52 O ATOM 460 CB TYR A 27 -8.764 0.855 2.072 1.00 1.80 C ATOM 461 CG TYR A 27 -9.467 0.385 0.814 1.00 1.89 C ATOM 462 CD1 TYR A 27 -8.805 0.381 -0.429 1.00 2.39 C ATOM 463 CD2 TYR A 27 -10.811 -0.006 0.888 1.00 2.38 C ATOM 464 CE1 TYR A 27 -9.508 0.044 -1.601 1.00 2.54 C ATOM 465 CE2 TYR A 27 -11.531 -0.330 -0.276 1.00 2.40 C ATOM 466 CZ TYR A 27 -10.879 -0.299 -1.531 1.00 2.09 C ATOM 467 OH TYR A 27 -11.575 -0.590 -2.666 1.00 2.21 O ATOM 0 H TYR A 27 -10.467 1.991 3.557 1.00 1.37 H new ATOM 0 HA TYR A 27 -7.794 2.625 2.684 1.00 1.52 H new ATOM 0 HB2 TYR A 27 -7.723 0.534 2.024 1.00 1.80 H new ATOM 0 HB3 TYR A 27 -9.214 0.350 2.927 1.00 1.80 H new ATOM 0 HD1 TYR A 27 -7.757 0.637 -0.483 1.00 2.39 H new ATOM 0 HD2 TYR A 27 -11.299 -0.059 1.850 1.00 2.38 H new ATOM 0 HE1 TYR A 27 -9.001 0.047 -2.554 1.00 2.54 H new ATOM 0 HE2 TYR A 27 -12.575 -0.601 -0.212 1.00 2.40 H new ATOM 0 HH TYR A 27 -12.503 -0.805 -2.435 1.00 2.21 H new ATOM 477 N HIS A 28 -10.292 3.452 0.702 1.00 1.40 N ATOM 478 CA HIS A 28 -10.639 4.229 -0.486 1.00 1.45 C ATOM 479 C HIS A 28 -10.019 5.634 -0.425 1.00 1.27 C ATOM 480 O HIS A 28 -9.451 6.075 -1.419 1.00 1.42 O ATOM 481 CB HIS A 28 -12.161 4.253 -0.659 1.00 1.47 C ATOM 482 CG HIS A 28 -12.672 4.905 -1.919 1.00 1.74 C ATOM 483 ND1 HIS A 28 -13.821 5.658 -2.014 1.00 1.84 N ATOM 484 CD2 HIS A 28 -12.179 4.767 -3.191 1.00 2.12 C ATOM 485 CE1 HIS A 28 -14.016 5.963 -3.307 1.00 2.26 C ATOM 486 NE2 HIS A 28 -13.036 5.443 -4.070 1.00 2.41 N ATOM 0 H HIS A 28 -11.102 3.116 1.222 1.00 1.40 H new ATOM 0 HA HIS A 28 -10.217 3.753 -1.371 1.00 1.45 H new ATOM 0 HB2 HIS A 28 -12.526 3.226 -0.631 1.00 1.47 H new ATOM 0 HB3 HIS A 28 -12.596 4.770 0.196 1.00 1.47 H new ATOM 0 HD2 HIS A 28 -11.284 4.230 -3.468 1.00 2.12 H new ATOM 0 HE1 HIS A 28 -14.844 6.545 -3.683 1.00 2.26 H new ATOM 0 HE2 HIS A 28 -12.937 5.525 -5.082 1.00 2.41 H new ATOM 494 N GLU A 29 -10.044 6.303 0.736 1.00 1.03 N ATOM 495 CA GLU A 29 -9.386 7.600 0.925 1.00 0.96 C ATOM 496 C GLU A 29 -7.890 7.561 0.578 1.00 0.97 C ATOM 497 O GLU A 29 -7.395 8.442 -0.128 1.00 1.00 O ATOM 498 CB GLU A 29 -9.584 8.059 2.378 1.00 0.88 C ATOM 499 CG GLU A 29 -8.741 9.279 2.783 1.00 1.31 C ATOM 500 CD GLU A 29 -8.961 10.512 1.893 1.00 1.65 C ATOM 501 OE1 GLU A 29 -10.080 10.717 1.368 1.00 2.45 O ATOM 502 OE2 GLU A 29 -8.050 11.366 1.820 1.00 2.68 O ATOM 0 H GLU A 29 -10.521 5.959 1.569 1.00 1.03 H new ATOM 0 HA GLU A 29 -9.847 8.310 0.238 1.00 0.96 H new ATOM 0 HB2 GLU A 29 -10.637 8.294 2.531 1.00 0.88 H new ATOM 0 HB3 GLU A 29 -9.343 7.230 3.043 1.00 0.88 H new ATOM 0 HG2 GLU A 29 -8.973 9.542 3.815 1.00 1.31 H new ATOM 0 HG3 GLU A 29 -7.686 9.005 2.753 1.00 1.31 H new ATOM 509 N ILE A 30 -7.149 6.558 1.063 1.00 0.98 N ATOM 510 CA ILE A 30 -5.682 6.536 0.860 1.00 1.02 C ATOM 511 C ILE A 30 -5.325 6.303 -0.612 1.00 1.14 C ATOM 512 O ILE A 30 -4.358 6.867 -1.117 1.00 1.11 O ATOM 513 CB ILE A 30 -4.960 5.573 1.836 1.00 1.07 C ATOM 514 CG1 ILE A 30 -4.806 4.132 1.302 1.00 1.48 C ATOM 515 CG2 ILE A 30 -5.612 5.642 3.231 1.00 1.02 C ATOM 516 CD1 ILE A 30 -4.521 3.092 2.382 1.00 1.34 C ATOM 0 H ILE A 30 -7.522 5.766 1.587 1.00 0.98 H new ATOM 0 HA ILE A 30 -5.302 7.526 1.113 1.00 1.02 H new ATOM 0 HB ILE A 30 -3.931 5.921 1.928 1.00 1.07 H new ATOM 0 HG12 ILE A 30 -5.718 3.852 0.776 1.00 1.48 H new ATOM 0 HG13 ILE A 30 -3.997 4.112 0.571 1.00 1.48 H new ATOM 0 HG21 ILE A 30 -5.096 4.961 3.908 1.00 1.02 H new ATOM 0 HG22 ILE A 30 -5.541 6.659 3.616 1.00 1.02 H new ATOM 0 HG23 ILE A 30 -6.661 5.355 3.157 1.00 1.02 H new ATOM 0 HD11 ILE A 30 -4.427 2.108 1.923 1.00 1.34 H new ATOM 0 HD12 ILE A 30 -3.592 3.344 2.894 1.00 1.34 H new ATOM 0 HD13 ILE A 30 -5.340 3.080 3.101 1.00 1.34 H new ATOM 528 N GLU A 31 -6.156 5.533 -1.312 1.00 1.28 N ATOM 529 CA GLU A 31 -6.034 5.256 -2.741 1.00 1.47 C ATOM 530 C GLU A 31 -6.479 6.458 -3.598 1.00 1.41 C ATOM 531 O GLU A 31 -5.855 6.777 -4.613 1.00 1.41 O ATOM 532 CB GLU A 31 -6.896 4.042 -3.090 1.00 1.64 C ATOM 533 CG GLU A 31 -6.699 2.778 -2.236 1.00 4.13 C ATOM 534 CD GLU A 31 -5.489 1.911 -2.579 1.00 5.84 C ATOM 535 OE1 GLU A 31 -4.341 2.404 -2.511 1.00 6.60 O ATOM 536 OE2 GLU A 31 -5.713 0.710 -2.846 1.00 6.89 O ATOM 0 H GLU A 31 -6.959 5.070 -0.886 1.00 1.28 H new ATOM 0 HA GLU A 31 -4.984 5.059 -2.959 1.00 1.47 H new ATOM 0 HB2 GLU A 31 -7.943 4.338 -3.020 1.00 1.64 H new ATOM 0 HB3 GLU A 31 -6.707 3.780 -4.131 1.00 1.64 H new ATOM 0 HG2 GLU A 31 -6.619 3.080 -1.192 1.00 4.13 H new ATOM 0 HG3 GLU A 31 -7.595 2.164 -2.322 1.00 4.13 H new ATOM 543 N LEU A 32 -7.532 7.170 -3.182 1.00 1.38 N ATOM 544 CA LEU A 32 -7.940 8.446 -3.773 1.00 1.38 C ATOM 545 C LEU A 32 -6.837 9.498 -3.639 1.00 1.19 C ATOM 546 O LEU A 32 -6.693 10.320 -4.539 1.00 1.15 O ATOM 547 CB LEU A 32 -9.237 8.953 -3.116 1.00 1.41 C ATOM 548 CG LEU A 32 -10.531 8.250 -3.571 1.00 1.70 C ATOM 549 CD1 LEU A 32 -11.674 8.707 -2.652 1.00 1.77 C ATOM 550 CD2 LEU A 32 -10.879 8.574 -5.032 1.00 1.88 C ATOM 0 H LEU A 32 -8.133 6.870 -2.414 1.00 1.38 H new ATOM 0 HA LEU A 32 -8.122 8.278 -4.835 1.00 1.38 H new ATOM 0 HB2 LEU A 32 -9.144 8.841 -2.036 1.00 1.41 H new ATOM 0 HB3 LEU A 32 -9.333 10.020 -3.319 1.00 1.41 H new ATOM 0 HG LEU A 32 -10.385 7.172 -3.507 1.00 1.70 H new ATOM 0 HD11 LEU A 32 -12.601 8.221 -2.956 1.00 1.77 H new ATOM 0 HD12 LEU A 32 -11.443 8.436 -1.622 1.00 1.77 H new ATOM 0 HD13 LEU A 32 -11.790 9.788 -2.725 1.00 1.77 H new ATOM 0 HD21 LEU A 32 -11.798 8.058 -5.310 1.00 1.88 H new ATOM 0 HD22 LEU A 32 -11.019 9.649 -5.143 1.00 1.88 H new ATOM 0 HD23 LEU A 32 -10.067 8.245 -5.681 1.00 1.88 H new ATOM 562 N GLN A 33 -6.031 9.464 -2.573 1.00 1.08 N ATOM 563 CA GLN A 33 -4.890 10.368 -2.419 1.00 0.91 C ATOM 564 C GLN A 33 -3.826 10.131 -3.507 1.00 0.78 C ATOM 565 O GLN A 33 -3.177 11.087 -3.924 1.00 0.76 O ATOM 566 CB GLN A 33 -4.321 10.258 -0.989 1.00 0.88 C ATOM 567 CG GLN A 33 -3.598 11.532 -0.502 1.00 0.79 C ATOM 568 CD GLN A 33 -2.068 11.464 -0.552 1.00 1.89 C ATOM 569 OE1 GLN A 33 -1.390 11.510 0.464 1.00 2.55 O ATOM 570 NE2 GLN A 33 -1.449 11.372 -1.708 1.00 3.15 N ATOM 0 H GLN A 33 -6.151 8.812 -1.797 1.00 1.08 H new ATOM 0 HA GLN A 33 -5.231 11.394 -2.559 1.00 0.91 H new ATOM 0 HB2 GLN A 33 -5.135 10.029 -0.301 1.00 0.88 H new ATOM 0 HB3 GLN A 33 -3.625 9.420 -0.949 1.00 0.88 H new ATOM 0 HG2 GLN A 33 -3.930 12.375 -1.108 1.00 0.79 H new ATOM 0 HG3 GLN A 33 -3.905 11.737 0.524 1.00 0.79 H new ATOM 0 HE21 GLN A 33 -1.988 11.332 -2.573 1.00 3.15 H new ATOM 0 HE22 GLN A 33 -0.430 11.341 -1.740 1.00 3.15 H new ATOM 579 N ALA A 34 -3.680 8.902 -4.018 1.00 0.78 N ATOM 580 CA ALA A 34 -2.851 8.607 -5.194 1.00 0.69 C ATOM 581 C ALA A 34 -3.494 9.100 -6.501 1.00 0.67 C ATOM 582 O ALA A 34 -2.841 9.745 -7.324 1.00 0.55 O ATOM 583 CB ALA A 34 -2.601 7.095 -5.247 1.00 0.82 C ATOM 0 H ALA A 34 -4.137 8.079 -3.625 1.00 0.78 H new ATOM 0 HA ALA A 34 -1.906 9.142 -5.097 1.00 0.69 H new ATOM 0 HB1 ALA A 34 -1.986 6.858 -6.115 1.00 0.82 H new ATOM 0 HB2 ALA A 34 -2.085 6.780 -4.340 1.00 0.82 H new ATOM 0 HB3 ALA A 34 -3.554 6.571 -5.323 1.00 0.82 H new ATOM 589 N GLN A 35 -4.787 8.820 -6.688 1.00 0.86 N ATOM 590 CA GLN A 35 -5.549 9.215 -7.881 1.00 0.96 C ATOM 591 C GLN A 35 -5.655 10.742 -8.015 1.00 0.97 C ATOM 592 O GLN A 35 -5.636 11.257 -9.132 1.00 1.00 O ATOM 593 CB GLN A 35 -6.938 8.555 -7.872 1.00 1.29 C ATOM 594 CG GLN A 35 -6.897 7.014 -7.949 1.00 1.61 C ATOM 595 CD GLN A 35 -7.087 6.438 -9.360 1.00 2.40 C ATOM 596 OE1 GLN A 35 -8.063 5.761 -9.653 1.00 3.27 O ATOM 597 NE2 GLN A 35 -6.172 6.644 -10.285 1.00 3.54 N ATOM 0 H GLN A 35 -5.344 8.305 -6.006 1.00 0.86 H new ATOM 0 HA GLN A 35 -5.005 8.860 -8.757 1.00 0.96 H new ATOM 0 HB2 GLN A 35 -7.464 8.850 -6.964 1.00 1.29 H new ATOM 0 HB3 GLN A 35 -7.516 8.936 -8.714 1.00 1.29 H new ATOM 0 HG2 GLN A 35 -5.941 6.669 -7.556 1.00 1.61 H new ATOM 0 HG3 GLN A 35 -7.673 6.610 -7.299 1.00 1.61 H new ATOM 0 HE21 GLN A 35 -5.347 7.204 -10.071 1.00 3.54 H new ATOM 0 HE22 GLN A 35 -6.288 6.243 -11.216 1.00 3.54 H new ATOM 606 N GLN A 36 -5.731 11.478 -6.900 1.00 0.98 N ATOM 607 CA GLN A 36 -5.753 12.946 -6.862 1.00 1.07 C ATOM 608 C GLN A 36 -4.521 13.586 -7.515 1.00 0.96 C ATOM 609 O GLN A 36 -4.600 14.732 -7.958 1.00 1.14 O ATOM 610 CB GLN A 36 -5.840 13.419 -5.397 1.00 1.08 C ATOM 611 CG GLN A 36 -7.278 13.711 -4.941 1.00 1.40 C ATOM 612 CD GLN A 36 -7.921 14.969 -5.554 1.00 1.66 C ATOM 613 OE1 GLN A 36 -9.061 15.303 -5.258 1.00 2.27 O ATOM 614 NE2 GLN A 36 -7.262 15.726 -6.418 1.00 2.07 N ATOM 0 H GLN A 36 -5.780 11.057 -5.972 1.00 0.98 H new ATOM 0 HA GLN A 36 -6.626 13.262 -7.433 1.00 1.07 H new ATOM 0 HB2 GLN A 36 -5.408 12.656 -4.749 1.00 1.08 H new ATOM 0 HB3 GLN A 36 -5.237 14.319 -5.276 1.00 1.08 H new ATOM 0 HG2 GLN A 36 -7.900 12.850 -5.184 1.00 1.40 H new ATOM 0 HG3 GLN A 36 -7.284 13.812 -3.856 1.00 1.40 H new ATOM 0 HE21 GLN A 36 -6.310 15.480 -6.689 1.00 2.07 H new ATOM 0 HE22 GLN A 36 -7.706 16.555 -6.812 1.00 2.07 H new ATOM 623 N LEU A 37 -3.395 12.864 -7.554 1.00 0.77 N ATOM 624 CA LEU A 37 -2.139 13.289 -8.174 1.00 0.80 C ATOM 625 C LEU A 37 -1.990 12.756 -9.614 1.00 0.88 C ATOM 626 O LEU A 37 -0.975 13.020 -10.262 1.00 1.04 O ATOM 627 CB LEU A 37 -0.981 12.831 -7.264 1.00 0.75 C ATOM 628 CG LEU A 37 -1.096 13.260 -5.784 1.00 0.76 C ATOM 629 CD1 LEU A 37 0.099 12.713 -4.990 1.00 1.08 C ATOM 630 CD2 LEU A 37 -1.196 14.782 -5.613 1.00 1.21 C ATOM 0 H LEU A 37 -3.333 11.934 -7.139 1.00 0.77 H new ATOM 0 HA LEU A 37 -2.127 14.375 -8.267 1.00 0.80 H new ATOM 0 HB2 LEU A 37 -0.916 11.744 -7.306 1.00 0.75 H new ATOM 0 HB3 LEU A 37 -0.047 13.222 -7.667 1.00 0.75 H new ATOM 0 HG LEU A 37 -2.023 12.839 -5.396 1.00 0.76 H new ATOM 0 HD11 LEU A 37 0.013 13.018 -3.947 1.00 1.08 H new ATOM 0 HD12 LEU A 37 0.108 11.625 -5.050 1.00 1.08 H new ATOM 0 HD13 LEU A 37 1.025 13.107 -5.408 1.00 1.08 H new ATOM 0 HD21 LEU A 37 -1.275 15.025 -4.553 1.00 1.21 H new ATOM 0 HD22 LEU A 37 -0.306 15.254 -6.028 1.00 1.21 H new ATOM 0 HD23 LEU A 37 -2.079 15.150 -6.136 1.00 1.21 H new ATOM 642 N GLU A 38 -2.986 12.005 -10.104 1.00 0.85 N ATOM 643 CA GLU A 38 -3.041 11.364 -11.426 1.00 0.95 C ATOM 644 C GLU A 38 -1.860 10.397 -11.653 1.00 0.84 C ATOM 645 O GLU A 38 -1.297 10.321 -12.746 1.00 1.08 O ATOM 646 CB GLU A 38 -3.214 12.404 -12.554 1.00 1.27 C ATOM 647 CG GLU A 38 -4.505 13.220 -12.402 1.00 2.09 C ATOM 648 CD GLU A 38 -4.735 14.115 -13.629 1.00 2.39 C ATOM 649 OE1 GLU A 38 -5.387 13.662 -14.600 1.00 2.73 O ATOM 650 OE2 GLU A 38 -4.276 15.282 -13.630 1.00 3.04 O ATOM 0 H GLU A 38 -3.825 11.817 -9.556 1.00 0.85 H new ATOM 0 HA GLU A 38 -3.934 10.740 -11.454 1.00 0.95 H new ATOM 0 HB2 GLU A 38 -2.358 13.079 -12.557 1.00 1.27 H new ATOM 0 HB3 GLU A 38 -3.221 11.894 -13.517 1.00 1.27 H new ATOM 0 HG2 GLU A 38 -5.353 12.547 -12.274 1.00 2.09 H new ATOM 0 HG3 GLU A 38 -4.448 13.835 -11.504 1.00 2.09 H new ATOM 657 N TYR A 39 -1.458 9.669 -10.602 1.00 0.58 N ATOM 658 CA TYR A 39 -0.255 8.828 -10.595 1.00 0.58 C ATOM 659 C TYR A 39 -0.257 7.722 -11.667 1.00 0.51 C ATOM 660 O TYR A 39 0.672 7.670 -12.473 1.00 0.53 O ATOM 661 CB TYR A 39 -0.077 8.243 -9.179 1.00 0.59 C ATOM 662 CG TYR A 39 0.953 8.929 -8.301 1.00 0.76 C ATOM 663 CD1 TYR A 39 1.212 10.309 -8.426 1.00 2.19 C ATOM 664 CD2 TYR A 39 1.684 8.162 -7.368 1.00 1.51 C ATOM 665 CE1 TYR A 39 2.226 10.914 -7.666 1.00 2.41 C ATOM 666 CE2 TYR A 39 2.700 8.763 -6.600 1.00 1.58 C ATOM 667 CZ TYR A 39 2.983 10.140 -6.764 1.00 1.34 C ATOM 668 OH TYR A 39 3.995 10.726 -6.072 1.00 1.71 O ATOM 0 H TYR A 39 -1.968 9.648 -9.719 1.00 0.58 H new ATOM 0 HA TYR A 39 0.594 9.459 -10.857 1.00 0.58 H new ATOM 0 HB2 TYR A 39 -1.040 8.277 -8.670 1.00 0.59 H new ATOM 0 HB3 TYR A 39 0.197 7.192 -9.273 1.00 0.59 H new ATOM 0 HD1 TYR A 39 0.627 10.905 -9.111 1.00 2.19 H new ATOM 0 HD2 TYR A 39 1.464 7.112 -7.243 1.00 1.51 H new ATOM 0 HE1 TYR A 39 2.425 11.970 -7.773 1.00 2.41 H new ATOM 0 HE2 TYR A 39 3.261 8.175 -5.889 1.00 1.58 H new ATOM 0 HH TYR A 39 3.786 11.672 -5.926 1.00 1.71 H new ATOM 678 N ASP A 40 -1.286 6.865 -11.658 1.00 0.50 N ATOM 679 CA ASP A 40 -1.509 5.651 -12.468 1.00 0.52 C ATOM 680 C ASP A 40 -2.617 4.812 -11.806 1.00 0.55 C ATOM 681 O ASP A 40 -3.801 5.070 -12.027 1.00 0.59 O ATOM 682 CB ASP A 40 -0.213 4.847 -12.706 1.00 0.57 C ATOM 683 CG ASP A 40 -0.431 3.503 -13.412 1.00 0.71 C ATOM 684 OD1 ASP A 40 -0.984 3.509 -14.538 1.00 2.16 O ATOM 685 OD2 ASP A 40 -0.011 2.476 -12.832 1.00 1.97 O ATOM 0 H ASP A 40 -2.066 7.017 -11.018 1.00 0.50 H new ATOM 0 HA ASP A 40 -1.837 5.946 -13.465 1.00 0.52 H new ATOM 0 HB2 ASP A 40 0.472 5.451 -13.301 1.00 0.57 H new ATOM 0 HB3 ASP A 40 0.272 4.667 -11.746 1.00 0.57 H new ATOM 690 N TYR A 41 -2.231 3.852 -10.960 1.00 0.68 N ATOM 691 CA TYR A 41 -3.121 2.936 -10.246 1.00 0.73 C ATOM 692 C TYR A 41 -2.723 2.768 -8.766 1.00 0.71 C ATOM 693 O TYR A 41 -1.598 3.060 -8.348 1.00 0.64 O ATOM 694 CB TYR A 41 -3.114 1.567 -10.941 1.00 0.74 C ATOM 695 CG TYR A 41 -3.639 1.510 -12.367 1.00 0.83 C ATOM 696 CD1 TYR A 41 -4.954 1.926 -12.662 1.00 1.30 C ATOM 697 CD2 TYR A 41 -2.844 0.950 -13.388 1.00 1.91 C ATOM 698 CE1 TYR A 41 -5.465 1.796 -13.967 1.00 1.29 C ATOM 699 CE2 TYR A 41 -3.341 0.834 -14.699 1.00 2.05 C ATOM 700 CZ TYR A 41 -4.657 1.254 -14.993 1.00 1.10 C ATOM 701 OH TYR A 41 -5.153 1.101 -16.254 1.00 1.25 O ATOM 0 H TYR A 41 -1.248 3.686 -10.746 1.00 0.68 H new ATOM 0 HA TYR A 41 -4.122 3.367 -10.268 1.00 0.73 H new ATOM 0 HB2 TYR A 41 -2.090 1.194 -10.943 1.00 0.74 H new ATOM 0 HB3 TYR A 41 -3.703 0.878 -10.336 1.00 0.74 H new ATOM 0 HD1 TYR A 41 -5.572 2.346 -11.882 1.00 1.30 H new ATOM 0 HD2 TYR A 41 -1.845 0.607 -13.162 1.00 1.91 H new ATOM 0 HE1 TYR A 41 -6.475 2.110 -14.185 1.00 1.29 H new ATOM 0 HE2 TYR A 41 -2.717 0.424 -15.480 1.00 2.05 H new ATOM 0 HH TYR A 41 -4.462 0.716 -16.833 1.00 1.25 H new ATOM 711 N TYR A 42 -3.676 2.282 -7.972 1.00 0.79 N ATOM 712 CA TYR A 42 -3.598 2.161 -6.514 1.00 0.80 C ATOM 713 C TYR A 42 -3.673 0.698 -6.038 1.00 0.58 C ATOM 714 O TYR A 42 -4.180 -0.142 -6.781 1.00 0.61 O ATOM 715 CB TYR A 42 -4.735 3.021 -5.951 1.00 1.13 C ATOM 716 CG TYR A 42 -6.182 2.625 -6.258 1.00 2.11 C ATOM 717 CD1 TYR A 42 -6.748 1.437 -5.754 1.00 2.79 C ATOM 718 CD2 TYR A 42 -7.031 3.558 -6.886 1.00 3.64 C ATOM 719 CE1 TYR A 42 -8.132 1.195 -5.843 1.00 3.67 C ATOM 720 CE2 TYR A 42 -8.420 3.341 -6.965 1.00 4.52 C ATOM 721 CZ TYR A 42 -8.979 2.157 -6.432 1.00 4.16 C ATOM 722 OH TYR A 42 -10.322 1.931 -6.495 1.00 5.20 O ATOM 0 H TYR A 42 -4.565 1.946 -8.343 1.00 0.79 H new ATOM 0 HA TYR A 42 -2.632 2.511 -6.149 1.00 0.80 H new ATOM 0 HB2 TYR A 42 -4.623 3.047 -4.867 1.00 1.13 H new ATOM 0 HB3 TYR A 42 -4.588 4.039 -6.311 1.00 1.13 H new ATOM 0 HD1 TYR A 42 -6.109 0.699 -5.291 1.00 2.79 H new ATOM 0 HD2 TYR A 42 -6.609 4.455 -7.314 1.00 3.64 H new ATOM 0 HE1 TYR A 42 -8.545 0.273 -5.461 1.00 3.67 H new ATOM 0 HE2 TYR A 42 -9.057 4.078 -7.432 1.00 4.52 H new ATOM 0 HH TYR A 42 -10.762 2.692 -6.929 1.00 5.20 H new ATOM 732 N SER A 43 -3.233 0.367 -4.822 1.00 0.62 N ATOM 733 CA SER A 43 -3.424 -0.975 -4.244 1.00 0.53 C ATOM 734 C SER A 43 -3.323 -1.057 -2.704 1.00 0.50 C ATOM 735 O SER A 43 -2.440 -0.460 -2.074 1.00 0.44 O ATOM 736 CB SER A 43 -2.469 -1.996 -4.882 1.00 0.62 C ATOM 737 OG SER A 43 -1.123 -1.725 -4.543 1.00 1.66 O ATOM 0 H SER A 43 -2.736 1.014 -4.209 1.00 0.62 H new ATOM 0 HA SER A 43 -4.459 -1.220 -4.484 1.00 0.53 H new ATOM 0 HB2 SER A 43 -2.734 -3.000 -4.552 1.00 0.62 H new ATOM 0 HB3 SER A 43 -2.584 -1.976 -5.966 1.00 0.62 H new ATOM 0 HG SER A 43 -1.016 -0.766 -4.372 1.00 1.66 H new ATOM 743 N LEU A 44 -4.186 -1.891 -2.109 1.00 0.54 N ATOM 744 CA LEU A 44 -4.178 -2.317 -0.706 1.00 0.55 C ATOM 745 C LEU A 44 -4.044 -3.845 -0.653 1.00 0.64 C ATOM 746 O LEU A 44 -4.649 -4.549 -1.465 1.00 0.72 O ATOM 747 CB LEU A 44 -5.498 -1.882 -0.039 1.00 0.65 C ATOM 748 CG LEU A 44 -5.524 -2.039 1.501 1.00 0.74 C ATOM 749 CD1 LEU A 44 -4.932 -0.817 2.214 1.00 1.53 C ATOM 750 CD2 LEU A 44 -6.964 -2.269 1.960 1.00 1.29 C ATOM 0 H LEU A 44 -4.956 -2.312 -2.629 1.00 0.54 H new ATOM 0 HA LEU A 44 -3.342 -1.860 -0.177 1.00 0.55 H new ATOM 0 HB2 LEU A 44 -5.689 -0.838 -0.288 1.00 0.65 H new ATOM 0 HB3 LEU A 44 -6.314 -2.466 -0.464 1.00 0.65 H new ATOM 0 HG LEU A 44 -4.905 -2.897 1.764 1.00 0.74 H new ATOM 0 HD11 LEU A 44 -4.971 -0.971 3.292 1.00 1.53 H new ATOM 0 HD12 LEU A 44 -3.896 -0.681 1.904 1.00 1.53 H new ATOM 0 HD13 LEU A 44 -5.508 0.071 1.953 1.00 1.53 H new ATOM 0 HD21 LEU A 44 -6.987 -2.380 3.044 1.00 1.29 H new ATOM 0 HD22 LEU A 44 -7.579 -1.417 1.669 1.00 1.29 H new ATOM 0 HD23 LEU A 44 -7.354 -3.174 1.494 1.00 1.29 H new ATOM 762 N CYS A 45 -3.320 -4.359 0.342 1.00 0.66 N ATOM 763 CA CYS A 45 -3.331 -5.770 0.730 1.00 0.67 C ATOM 764 C CYS A 45 -3.597 -5.881 2.242 1.00 0.64 C ATOM 765 O CYS A 45 -3.061 -5.096 3.024 1.00 0.64 O ATOM 766 CB CYS A 45 -1.998 -6.399 0.304 1.00 0.72 C ATOM 767 SG CYS A 45 -2.054 -8.192 0.570 1.00 1.17 S ATOM 0 H CYS A 45 -2.695 -3.792 0.914 1.00 0.66 H new ATOM 0 HA CYS A 45 -4.130 -6.318 0.231 1.00 0.67 H new ATOM 0 HB2 CYS A 45 -1.803 -6.184 -0.747 1.00 0.72 H new ATOM 0 HB3 CYS A 45 -1.180 -5.962 0.876 1.00 0.72 H new ATOM 0 HG CYS A 45 -0.923 -8.720 0.205 1.00 1.17 H new ATOM 773 N VAL A 46 -4.439 -6.825 2.649 1.00 0.66 N ATOM 774 CA VAL A 46 -4.907 -7.044 4.029 1.00 0.71 C ATOM 775 C VAL A 46 -4.896 -8.546 4.294 1.00 0.86 C ATOM 776 O VAL A 46 -5.190 -9.322 3.390 1.00 0.96 O ATOM 777 CB VAL A 46 -6.348 -6.504 4.233 1.00 0.77 C ATOM 778 CG1 VAL A 46 -6.847 -6.662 5.682 1.00 1.22 C ATOM 779 CG2 VAL A 46 -6.460 -5.021 3.853 1.00 1.74 C ATOM 0 H VAL A 46 -4.840 -7.499 1.996 1.00 0.66 H new ATOM 0 HA VAL A 46 -4.250 -6.512 4.717 1.00 0.71 H new ATOM 0 HB VAL A 46 -6.971 -7.109 3.574 1.00 0.77 H new ATOM 0 HG11 VAL A 46 -7.860 -6.267 5.763 1.00 1.22 H new ATOM 0 HG12 VAL A 46 -6.846 -7.718 5.954 1.00 1.22 H new ATOM 0 HG13 VAL A 46 -6.188 -6.113 6.355 1.00 1.22 H new ATOM 0 HG21 VAL A 46 -7.484 -4.681 4.010 1.00 1.74 H new ATOM 0 HG22 VAL A 46 -5.784 -4.434 4.474 1.00 1.74 H new ATOM 0 HG23 VAL A 46 -6.192 -4.893 2.804 1.00 1.74 H new ATOM 789 N ARG A 47 -4.588 -8.970 5.520 1.00 0.97 N ATOM 790 CA ARG A 47 -4.613 -10.384 5.903 1.00 1.26 C ATOM 791 C ARG A 47 -5.116 -10.578 7.331 1.00 1.46 C ATOM 792 O ARG A 47 -4.718 -9.877 8.263 1.00 1.51 O ATOM 793 CB ARG A 47 -3.252 -11.052 5.632 1.00 1.49 C ATOM 794 CG ARG A 47 -2.053 -10.317 6.250 1.00 1.40 C ATOM 795 CD ARG A 47 -0.714 -10.975 5.896 1.00 1.21 C ATOM 796 NE ARG A 47 -0.525 -12.250 6.610 1.00 2.43 N ATOM 797 CZ ARG A 47 -0.174 -13.421 6.090 1.00 2.92 C ATOM 798 NH1 ARG A 47 0.008 -13.595 4.797 1.00 3.01 N ATOM 799 NH2 ARG A 47 0.004 -14.453 6.886 1.00 4.27 N ATOM 0 H ARG A 47 -4.314 -8.343 6.277 1.00 0.97 H new ATOM 0 HA ARG A 47 -5.338 -10.897 5.271 1.00 1.26 H new ATOM 0 HB2 ARG A 47 -3.277 -12.071 6.018 1.00 1.49 H new ATOM 0 HB3 ARG A 47 -3.104 -11.123 4.555 1.00 1.49 H new ATOM 0 HG2 ARG A 47 -2.048 -9.283 5.905 1.00 1.40 H new ATOM 0 HG3 ARG A 47 -2.166 -10.291 7.334 1.00 1.40 H new ATOM 0 HD2 ARG A 47 -0.668 -11.150 4.821 1.00 1.21 H new ATOM 0 HD3 ARG A 47 0.102 -10.295 6.143 1.00 1.21 H new ATOM 0 HE ARG A 47 -0.681 -12.231 7.618 1.00 2.43 H new ATOM 0 HH11 ARG A 47 -0.120 -12.814 4.154 1.00 3.01 H new ATOM 0 HH12 ARG A 47 0.277 -14.511 4.439 1.00 3.01 H new ATOM 0 HH21 ARG A 47 -0.128 -14.350 7.892 1.00 4.27 H new ATOM 0 HH22 ARG A 47 0.274 -15.357 6.497 1.00 4.27 H new ATOM 813 N HIS A 48 -6.018 -11.541 7.480 1.00 1.70 N ATOM 814 CA HIS A 48 -6.733 -11.851 8.718 1.00 2.05 C ATOM 815 C HIS A 48 -6.376 -13.290 9.165 1.00 2.02 C ATOM 816 O HIS A 48 -6.952 -14.262 8.660 1.00 2.02 O ATOM 817 CB HIS A 48 -8.250 -11.637 8.488 1.00 2.43 C ATOM 818 CG HIS A 48 -8.769 -11.813 7.071 1.00 3.91 C ATOM 819 ND1 HIS A 48 -8.558 -12.876 6.230 1.00 5.09 N flip ATOM 820 CD2 HIS A 48 -9.517 -10.894 6.368 1.00 4.97 C flip ATOM 821 CE1 HIS A 48 -9.162 -12.592 4.997 1.00 6.62 C flip ATOM 822 NE2 HIS A 48 -9.734 -11.383 5.136 1.00 6.61 N flip ATOM 0 H HIS A 48 -6.284 -12.155 6.710 1.00 1.70 H new ATOM 0 HA HIS A 48 -6.435 -11.186 9.529 1.00 2.05 H new ATOM 0 HB2 HIS A 48 -8.791 -12.329 9.134 1.00 2.43 H new ATOM 0 HB3 HIS A 48 -8.503 -10.629 8.818 1.00 2.43 H new ATOM 0 HD2 HIS A 48 -9.868 -9.944 6.743 1.00 4.97 H new ATOM 0 HE1 HIS A 48 -9.167 -13.216 4.116 1.00 6.62 H new ATOM 0 HE2 HIS A 48 -10.260 -10.903 4.406 1.00 6.61 H new ATOM 830 N PRO A 49 -5.446 -13.465 10.127 1.00 2.02 N ATOM 831 CA PRO A 49 -4.972 -14.781 10.558 1.00 2.01 C ATOM 832 C PRO A 49 -5.929 -15.378 11.609 1.00 1.97 C ATOM 833 O PRO A 49 -5.554 -15.615 12.758 1.00 2.05 O ATOM 834 CB PRO A 49 -3.542 -14.527 11.053 1.00 2.08 C ATOM 835 CG PRO A 49 -3.640 -13.128 11.654 1.00 2.09 C ATOM 836 CD PRO A 49 -4.624 -12.418 10.726 1.00 2.06 C ATOM 0 HA PRO A 49 -4.958 -15.533 9.770 1.00 2.01 H new ATOM 0 HB2 PRO A 49 -3.232 -15.265 11.793 1.00 2.08 H new ATOM 0 HB3 PRO A 49 -2.818 -14.569 10.239 1.00 2.08 H new ATOM 0 HG2 PRO A 49 -4.003 -13.156 12.681 1.00 2.09 H new ATOM 0 HG3 PRO A 49 -2.671 -12.629 11.672 1.00 2.09 H new ATOM 0 HD2 PRO A 49 -5.239 -11.709 11.280 1.00 2.06 H new ATOM 0 HD3 PRO A 49 -4.096 -11.851 9.959 1.00 2.06 H new ATOM 844 N VAL A 50 -7.195 -15.582 11.222 1.00 2.03 N ATOM 845 CA VAL A 50 -8.280 -16.005 12.135 1.00 2.01 C ATOM 846 C VAL A 50 -8.092 -17.472 12.567 1.00 2.26 C ATOM 847 O VAL A 50 -7.840 -18.315 11.704 1.00 2.52 O ATOM 848 CB VAL A 50 -9.689 -15.856 11.512 1.00 2.03 C ATOM 849 CG1 VAL A 50 -10.813 -15.963 12.553 1.00 2.04 C ATOM 850 CG2 VAL A 50 -9.864 -14.521 10.793 1.00 1.88 C ATOM 0 H VAL A 50 -7.504 -15.458 10.258 1.00 2.03 H new ATOM 0 HA VAL A 50 -8.216 -15.341 12.997 1.00 2.01 H new ATOM 0 HB VAL A 50 -9.763 -16.681 10.803 1.00 2.03 H new ATOM 0 HG11 VAL A 50 -11.778 -15.851 12.059 1.00 2.04 H new ATOM 0 HG12 VAL A 50 -10.766 -16.937 13.041 1.00 2.04 H new ATOM 0 HG13 VAL A 50 -10.694 -15.177 13.299 1.00 2.04 H new ATOM 0 HG21 VAL A 50 -10.868 -14.463 10.373 1.00 1.88 H new ATOM 0 HG22 VAL A 50 -9.719 -13.705 11.501 1.00 1.88 H new ATOM 0 HG23 VAL A 50 -9.130 -14.440 9.991 1.00 1.88 H new ATOM 860 N PRO A 51 -8.255 -17.810 13.863 1.00 2.25 N ATOM 861 CA PRO A 51 -8.104 -19.178 14.358 1.00 2.46 C ATOM 862 C PRO A 51 -9.335 -20.068 14.095 1.00 2.59 C ATOM 863 O PRO A 51 -9.219 -21.292 14.114 1.00 2.73 O ATOM 864 CB PRO A 51 -7.806 -19.020 15.851 1.00 2.51 C ATOM 865 CG PRO A 51 -8.495 -17.716 16.246 1.00 2.33 C ATOM 866 CD PRO A 51 -8.487 -16.881 14.964 1.00 2.12 C ATOM 0 HA PRO A 51 -7.305 -19.699 13.831 1.00 2.46 H new ATOM 0 HB2 PRO A 51 -8.194 -19.862 16.424 1.00 2.51 H new ATOM 0 HB3 PRO A 51 -6.733 -18.974 16.038 1.00 2.51 H new ATOM 0 HG2 PRO A 51 -9.511 -17.894 16.599 1.00 2.33 H new ATOM 0 HG3 PRO A 51 -7.961 -17.212 17.052 1.00 2.33 H new ATOM 0 HD2 PRO A 51 -9.435 -16.358 14.836 1.00 2.12 H new ATOM 0 HD3 PRO A 51 -7.706 -16.121 15.001 1.00 2.12 H new ATOM 874 N PHE A 52 -10.501 -19.469 13.824 1.00 2.60 N ATOM 875 CA PHE A 52 -11.767 -20.153 13.520 1.00 2.77 C ATOM 876 C PHE A 52 -11.914 -20.588 12.047 1.00 2.75 C ATOM 877 O PHE A 52 -12.872 -21.294 11.717 1.00 3.02 O ATOM 878 CB PHE A 52 -12.933 -19.231 13.921 1.00 2.82 C ATOM 879 CG PHE A 52 -13.139 -19.103 15.418 1.00 2.92 C ATOM 880 CD1 PHE A 52 -12.379 -18.186 16.168 1.00 2.74 C ATOM 881 CD2 PHE A 52 -14.095 -19.911 16.063 1.00 3.97 C ATOM 882 CE1 PHE A 52 -12.578 -18.076 17.556 1.00 2.84 C ATOM 883 CE2 PHE A 52 -14.297 -19.797 17.450 1.00 4.12 C ATOM 884 CZ PHE A 52 -13.537 -18.879 18.197 1.00 3.21 C ATOM 0 H PHE A 52 -10.594 -18.453 13.810 1.00 2.60 H new ATOM 0 HA PHE A 52 -11.777 -21.078 14.097 1.00 2.77 H new ATOM 0 HB2 PHE A 52 -12.757 -18.239 13.504 1.00 2.82 H new ATOM 0 HB3 PHE A 52 -13.851 -19.608 13.470 1.00 2.82 H new ATOM 0 HD1 PHE A 52 -11.643 -17.567 15.678 1.00 2.74 H new ATOM 0 HD2 PHE A 52 -14.675 -20.620 15.491 1.00 3.97 H new ATOM 0 HE1 PHE A 52 -11.993 -17.373 18.130 1.00 2.84 H new ATOM 0 HE2 PHE A 52 -15.035 -20.414 17.941 1.00 4.12 H new ATOM 0 HZ PHE A 52 -13.690 -18.791 19.262 1.00 3.21 H new ATOM 894 N THR A 53 -10.997 -20.171 11.162 1.00 2.46 N ATOM 895 CA THR A 53 -11.038 -20.442 9.713 1.00 2.42 C ATOM 896 C THR A 53 -9.653 -20.794 9.169 1.00 2.26 C ATOM 897 O THR A 53 -8.658 -20.711 9.892 1.00 2.20 O ATOM 898 CB THR A 53 -11.708 -19.263 8.981 1.00 2.35 C ATOM 899 OG1 THR A 53 -12.226 -19.765 7.767 1.00 2.82 O ATOM 900 CG2 THR A 53 -10.800 -18.065 8.686 1.00 1.85 C ATOM 0 H THR A 53 -10.184 -19.621 11.439 1.00 2.46 H new ATOM 0 HA THR A 53 -11.650 -21.324 9.527 1.00 2.42 H new ATOM 0 HB THR A 53 -12.474 -18.871 9.650 1.00 2.35 H new ATOM 0 HG1 THR A 53 -12.663 -19.040 7.273 1.00 2.82 H new ATOM 0 HG21 THR A 53 -11.371 -17.294 8.170 1.00 1.85 H new ATOM 0 HG22 THR A 53 -10.412 -17.663 9.622 1.00 1.85 H new ATOM 0 HG23 THR A 53 -9.970 -18.384 8.056 1.00 1.85 H new ATOM 908 N ARG A 54 -9.568 -21.166 7.889 1.00 2.34 N ATOM 909 CA ARG A 54 -8.283 -21.268 7.180 1.00 2.24 C ATOM 910 C ARG A 54 -7.760 -19.841 6.904 1.00 1.89 C ATOM 911 O ARG A 54 -8.565 -18.978 6.545 1.00 1.75 O ATOM 912 CB ARG A 54 -8.424 -22.077 5.880 1.00 2.43 C ATOM 913 CG ARG A 54 -8.310 -23.603 6.065 1.00 2.70 C ATOM 914 CD ARG A 54 -9.134 -24.160 7.234 1.00 3.86 C ATOM 915 NE ARG A 54 -9.302 -25.623 7.148 1.00 4.36 N ATOM 916 CZ ARG A 54 -8.442 -26.555 7.547 1.00 4.56 C ATOM 917 NH1 ARG A 54 -7.273 -26.254 8.074 1.00 4.46 N ATOM 918 NH2 ARG A 54 -8.755 -27.827 7.418 1.00 5.07 N ATOM 0 H ARG A 54 -10.378 -21.404 7.316 1.00 2.34 H new ATOM 0 HA ARG A 54 -7.565 -21.803 7.801 1.00 2.24 H new ATOM 0 HB2 ARG A 54 -9.389 -21.849 5.427 1.00 2.43 H new ATOM 0 HB3 ARG A 54 -7.657 -21.750 5.178 1.00 2.43 H new ATOM 0 HG2 ARG A 54 -8.628 -24.094 5.145 1.00 2.70 H new ATOM 0 HG3 ARG A 54 -7.262 -23.862 6.218 1.00 2.70 H new ATOM 0 HD2 ARG A 54 -8.645 -23.907 8.175 1.00 3.86 H new ATOM 0 HD3 ARG A 54 -10.114 -23.683 7.246 1.00 3.86 H new ATOM 0 HE ARG A 54 -10.174 -25.956 6.737 1.00 4.36 H new ATOM 0 HH11 ARG A 54 -7.001 -25.278 8.188 1.00 4.46 H new ATOM 0 HH12 ARG A 54 -6.640 -26.997 8.368 1.00 4.46 H new ATOM 0 HH21 ARG A 54 -9.653 -28.093 7.014 1.00 5.07 H new ATOM 0 HH22 ARG A 54 -8.100 -28.547 7.722 1.00 5.07 H new ATOM 932 N PRO A 55 -6.452 -19.564 7.069 1.00 1.85 N ATOM 933 CA PRO A 55 -5.912 -18.208 7.011 1.00 1.62 C ATOM 934 C PRO A 55 -5.960 -17.662 5.579 1.00 1.51 C ATOM 935 O PRO A 55 -5.724 -18.397 4.619 1.00 1.58 O ATOM 936 CB PRO A 55 -4.490 -18.307 7.572 1.00 1.84 C ATOM 937 CG PRO A 55 -4.089 -19.755 7.285 1.00 2.13 C ATOM 938 CD PRO A 55 -5.406 -20.527 7.370 1.00 2.14 C ATOM 0 HA PRO A 55 -6.498 -17.500 7.598 1.00 1.62 H new ATOM 0 HB2 PRO A 55 -3.817 -17.601 7.085 1.00 1.84 H new ATOM 0 HB3 PRO A 55 -4.464 -18.088 8.639 1.00 1.84 H new ATOM 0 HG2 PRO A 55 -3.631 -19.855 6.301 1.00 2.13 H new ATOM 0 HG3 PRO A 55 -3.364 -20.120 8.013 1.00 2.13 H new ATOM 0 HD2 PRO A 55 -5.420 -21.354 6.660 1.00 2.14 H new ATOM 0 HD3 PRO A 55 -5.544 -20.956 8.362 1.00 2.14 H new ATOM 946 N LYS A 56 -6.294 -16.374 5.440 1.00 1.40 N ATOM 947 CA LYS A 56 -6.613 -15.739 4.150 1.00 1.34 C ATOM 948 C LYS A 56 -6.052 -14.310 3.997 1.00 1.14 C ATOM 949 O LYS A 56 -5.664 -13.649 4.969 1.00 1.13 O ATOM 950 CB LYS A 56 -8.149 -15.749 3.942 1.00 1.67 C ATOM 951 CG LYS A 56 -8.758 -17.104 3.547 1.00 2.59 C ATOM 952 CD LYS A 56 -8.360 -17.575 2.142 1.00 3.40 C ATOM 953 CE LYS A 56 -9.040 -18.917 1.843 1.00 4.62 C ATOM 954 NZ LYS A 56 -8.679 -19.432 0.496 1.00 6.09 N ATOM 0 H LYS A 56 -6.352 -15.732 6.230 1.00 1.40 H new ATOM 0 HA LYS A 56 -6.119 -16.327 3.377 1.00 1.34 H new ATOM 0 HB2 LYS A 56 -8.624 -15.412 4.863 1.00 1.67 H new ATOM 0 HB3 LYS A 56 -8.398 -15.021 3.170 1.00 1.67 H new ATOM 0 HG2 LYS A 56 -8.450 -17.856 4.273 1.00 2.59 H new ATOM 0 HG3 LYS A 56 -9.844 -17.034 3.603 1.00 2.59 H new ATOM 0 HD2 LYS A 56 -8.654 -16.832 1.400 1.00 3.40 H new ATOM 0 HD3 LYS A 56 -7.277 -17.680 2.075 1.00 3.40 H new ATOM 0 HE2 LYS A 56 -8.752 -19.647 2.600 1.00 4.62 H new ATOM 0 HE3 LYS A 56 -10.122 -18.799 1.909 1.00 4.62 H new ATOM 0 HZ1 LYS A 56 -9.158 -20.340 0.332 1.00 6.09 H new ATOM 0 HZ2 LYS A 56 -8.976 -18.748 -0.228 1.00 6.09 H new ATOM 0 HZ3 LYS A 56 -7.650 -19.569 0.441 1.00 6.09 H new ATOM 968 N VAL A 57 -6.030 -13.855 2.741 1.00 1.07 N ATOM 969 CA VAL A 57 -5.578 -12.534 2.281 1.00 0.95 C ATOM 970 C VAL A 57 -6.693 -11.922 1.420 1.00 0.90 C ATOM 971 O VAL A 57 -7.296 -12.617 0.602 1.00 0.99 O ATOM 972 CB VAL A 57 -4.276 -12.651 1.444 1.00 1.08 C ATOM 973 CG1 VAL A 57 -3.730 -11.284 1.000 1.00 1.80 C ATOM 974 CG2 VAL A 57 -3.158 -13.387 2.207 1.00 1.76 C ATOM 0 H VAL A 57 -6.348 -14.436 1.966 1.00 1.07 H new ATOM 0 HA VAL A 57 -5.365 -11.903 3.144 1.00 0.95 H new ATOM 0 HB VAL A 57 -4.562 -13.226 0.563 1.00 1.08 H new ATOM 0 HG11 VAL A 57 -2.819 -11.427 0.419 1.00 1.80 H new ATOM 0 HG12 VAL A 57 -4.475 -10.776 0.388 1.00 1.80 H new ATOM 0 HG13 VAL A 57 -3.508 -10.678 1.878 1.00 1.80 H new ATOM 0 HG21 VAL A 57 -2.267 -13.444 1.581 1.00 1.76 H new ATOM 0 HG22 VAL A 57 -2.924 -12.844 3.123 1.00 1.76 H new ATOM 0 HG23 VAL A 57 -3.491 -14.394 2.458 1.00 1.76 H new ATOM 984 N ALA A 58 -6.933 -10.621 1.582 1.00 0.80 N ATOM 985 CA ALA A 58 -7.764 -9.793 0.713 1.00 0.76 C ATOM 986 C ALA A 58 -6.926 -8.646 0.128 1.00 0.65 C ATOM 987 O ALA A 58 -5.986 -8.152 0.757 1.00 0.58 O ATOM 988 CB ALA A 58 -8.955 -9.247 1.515 1.00 0.75 C ATOM 0 H ALA A 58 -6.535 -10.093 2.358 1.00 0.80 H new ATOM 0 HA ALA A 58 -8.145 -10.393 -0.113 1.00 0.76 H new ATOM 0 HB1 ALA A 58 -9.577 -8.628 0.868 1.00 0.75 H new ATOM 0 HB2 ALA A 58 -9.546 -10.078 1.900 1.00 0.75 H new ATOM 0 HB3 ALA A 58 -8.588 -8.647 2.348 1.00 0.75 H new ATOM 994 N PHE A 59 -7.284 -8.210 -1.076 1.00 0.73 N ATOM 995 CA PHE A 59 -6.580 -7.162 -1.808 1.00 0.63 C ATOM 996 C PHE A 59 -7.536 -6.401 -2.731 1.00 0.63 C ATOM 997 O PHE A 59 -8.480 -6.971 -3.283 1.00 0.67 O ATOM 998 CB PHE A 59 -5.355 -7.748 -2.542 1.00 0.54 C ATOM 999 CG PHE A 59 -5.565 -9.069 -3.278 1.00 0.56 C ATOM 1000 CD1 PHE A 59 -6.402 -9.137 -4.410 1.00 2.12 C ATOM 1001 CD2 PHE A 59 -4.910 -10.240 -2.839 1.00 1.56 C ATOM 1002 CE1 PHE A 59 -6.620 -10.363 -5.063 1.00 2.13 C ATOM 1003 CE2 PHE A 59 -5.127 -11.465 -3.494 1.00 1.61 C ATOM 1004 CZ PHE A 59 -5.988 -11.529 -4.601 1.00 0.73 C ATOM 0 H PHE A 59 -8.088 -8.583 -1.581 1.00 0.73 H new ATOM 0 HA PHE A 59 -6.196 -6.426 -1.101 1.00 0.63 H new ATOM 0 HB2 PHE A 59 -5.004 -7.009 -3.262 1.00 0.54 H new ATOM 0 HB3 PHE A 59 -4.556 -7.887 -1.814 1.00 0.54 H new ATOM 0 HD1 PHE A 59 -6.879 -8.241 -4.778 1.00 2.12 H new ATOM 0 HD2 PHE A 59 -4.238 -10.195 -1.995 1.00 1.56 H new ATOM 0 HE1 PHE A 59 -7.274 -10.408 -5.921 1.00 2.13 H new ATOM 0 HE2 PHE A 59 -4.630 -12.358 -3.145 1.00 1.61 H new ATOM 0 HZ PHE A 59 -6.164 -12.473 -5.096 1.00 0.73 H new ATOM 1014 N TYR A 60 -7.289 -5.100 -2.883 1.00 0.61 N ATOM 1015 CA TYR A 60 -8.119 -4.166 -3.654 1.00 0.66 C ATOM 1016 C TYR A 60 -7.228 -3.273 -4.531 1.00 0.63 C ATOM 1017 O TYR A 60 -6.144 -2.875 -4.093 1.00 0.62 O ATOM 1018 CB TYR A 60 -8.965 -3.300 -2.703 1.00 0.79 C ATOM 1019 CG TYR A 60 -9.719 -4.074 -1.634 1.00 0.79 C ATOM 1020 CD1 TYR A 60 -10.601 -5.111 -1.992 1.00 1.77 C ATOM 1021 CD2 TYR A 60 -9.489 -3.798 -0.273 1.00 1.75 C ATOM 1022 CE1 TYR A 60 -11.215 -5.897 -1.002 1.00 1.68 C ATOM 1023 CE2 TYR A 60 -10.104 -4.574 0.726 1.00 1.87 C ATOM 1024 CZ TYR A 60 -10.964 -5.635 0.366 1.00 0.84 C ATOM 1025 OH TYR A 60 -11.542 -6.401 1.334 1.00 0.91 O ATOM 0 H TYR A 60 -6.478 -4.649 -2.459 1.00 0.61 H new ATOM 0 HA TYR A 60 -8.789 -4.737 -4.297 1.00 0.66 H new ATOM 0 HB2 TYR A 60 -8.311 -2.577 -2.215 1.00 0.79 H new ATOM 0 HB3 TYR A 60 -9.683 -2.732 -3.294 1.00 0.79 H new ATOM 0 HD1 TYR A 60 -10.807 -5.304 -3.034 1.00 1.77 H new ATOM 0 HD2 TYR A 60 -8.836 -2.985 0.006 1.00 1.75 H new ATOM 0 HE1 TYR A 60 -11.878 -6.701 -1.285 1.00 1.68 H new ATOM 0 HE2 TYR A 60 -9.919 -4.359 1.768 1.00 1.87 H new ATOM 0 HH TYR A 60 -11.259 -6.082 2.216 1.00 0.91 H new ATOM 1035 N THR A 61 -7.668 -2.962 -5.760 1.00 0.64 N ATOM 1036 CA THR A 61 -6.889 -2.212 -6.762 1.00 0.62 C ATOM 1037 C THR A 61 -7.734 -1.808 -7.973 1.00 0.70 C ATOM 1038 O THR A 61 -8.705 -2.484 -8.314 1.00 0.77 O ATOM 1039 CB THR A 61 -5.615 -2.978 -7.157 1.00 0.56 C ATOM 1040 OG1 THR A 61 -4.952 -2.248 -8.147 1.00 0.88 O ATOM 1041 CG2 THR A 61 -5.836 -4.378 -7.719 1.00 0.66 C ATOM 0 H THR A 61 -8.594 -3.230 -6.094 1.00 0.64 H new ATOM 0 HA THR A 61 -6.572 -1.278 -6.299 1.00 0.62 H new ATOM 0 HB THR A 61 -5.052 -3.093 -6.231 1.00 0.56 H new ATOM 0 HG1 THR A 61 -4.433 -2.858 -8.711 1.00 0.88 H new ATOM 0 HG21 THR A 61 -4.874 -4.828 -7.964 1.00 0.66 H new ATOM 0 HG22 THR A 61 -6.345 -4.992 -6.976 1.00 0.66 H new ATOM 0 HG23 THR A 61 -6.448 -4.316 -8.619 1.00 0.66 H new ATOM 1049 N ASN A 62 -7.336 -0.713 -8.627 1.00 0.73 N ATOM 1050 CA ASN A 62 -7.863 -0.254 -9.919 1.00 0.83 C ATOM 1051 C ASN A 62 -7.038 -0.779 -11.123 1.00 0.74 C ATOM 1052 O ASN A 62 -7.246 -0.353 -12.261 1.00 0.80 O ATOM 1053 CB ASN A 62 -7.940 1.285 -9.891 1.00 1.00 C ATOM 1054 CG ASN A 62 -8.844 1.903 -10.960 1.00 1.83 C ATOM 1055 OD1 ASN A 62 -9.652 1.245 -11.608 1.00 2.26 O ATOM 1056 ND2 ASN A 62 -8.770 3.209 -11.151 1.00 2.61 N ATOM 0 H ASN A 62 -6.611 -0.098 -8.259 1.00 0.73 H new ATOM 0 HA ASN A 62 -8.861 -0.667 -10.063 1.00 0.83 H new ATOM 0 HB2 ASN A 62 -8.295 1.599 -8.909 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -6.934 1.687 -10.010 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -9.381 3.660 -11.832 1.00 2.61 H new ATOM 0 HD22 ASN A 62 -8.102 3.765 -10.618 1.00 2.61 H new ATOM 1063 N TYR A 63 -6.086 -1.696 -10.898 1.00 0.64 N ATOM 1064 CA TYR A 63 -5.259 -2.310 -11.948 1.00 0.60 C ATOM 1065 C TYR A 63 -6.085 -2.937 -13.097 1.00 0.63 C ATOM 1066 O TYR A 63 -7.214 -3.393 -12.870 1.00 0.67 O ATOM 1067 CB TYR A 63 -4.385 -3.419 -11.333 1.00 0.53 C ATOM 1068 CG TYR A 63 -3.224 -3.027 -10.441 1.00 0.50 C ATOM 1069 CD1 TYR A 63 -2.596 -1.771 -10.538 1.00 1.88 C ATOM 1070 CD2 TYR A 63 -2.780 -3.953 -9.478 1.00 1.59 C ATOM 1071 CE1 TYR A 63 -1.604 -1.400 -9.612 1.00 1.90 C ATOM 1072 CE2 TYR A 63 -1.789 -3.589 -8.554 1.00 1.58 C ATOM 1073 CZ TYR A 63 -1.201 -2.304 -8.607 1.00 0.48 C ATOM 1074 OH TYR A 63 -0.247 -1.929 -7.710 1.00 0.53 O ATOM 0 H TYR A 63 -5.865 -2.039 -9.963 1.00 0.64 H new ATOM 0 HA TYR A 63 -4.658 -1.505 -12.370 1.00 0.60 H new ATOM 0 HB2 TYR A 63 -5.039 -4.071 -10.755 1.00 0.53 H new ATOM 0 HB3 TYR A 63 -3.984 -4.015 -12.153 1.00 0.53 H new ATOM 0 HD1 TYR A 63 -2.877 -1.089 -11.327 1.00 1.88 H new ATOM 0 HD2 TYR A 63 -3.203 -4.946 -9.450 1.00 1.59 H new ATOM 0 HE1 TYR A 63 -1.150 -0.422 -9.671 1.00 1.90 H new ATOM 0 HE2 TYR A 63 -1.474 -4.294 -7.799 1.00 1.58 H new ATOM 0 HH TYR A 63 -0.602 -2.014 -6.800 1.00 0.53 H new ATOM 1084 N PRO A 64 -5.513 -3.013 -14.318 1.00 0.65 N ATOM 1085 CA PRO A 64 -6.150 -3.649 -15.460 1.00 0.71 C ATOM 1086 C PRO A 64 -6.326 -5.146 -15.192 1.00 0.64 C ATOM 1087 O PRO A 64 -5.444 -5.794 -14.625 1.00 0.58 O ATOM 1088 CB PRO A 64 -5.249 -3.367 -16.669 1.00 0.78 C ATOM 1089 CG PRO A 64 -3.878 -3.071 -16.063 1.00 0.71 C ATOM 1090 CD PRO A 64 -4.211 -2.487 -14.696 1.00 0.64 C ATOM 0 HA PRO A 64 -7.150 -3.258 -15.649 1.00 0.71 H new ATOM 0 HB2 PRO A 64 -5.209 -4.223 -17.342 1.00 0.78 H new ATOM 0 HB3 PRO A 64 -5.617 -2.521 -17.250 1.00 0.78 H new ATOM 0 HG2 PRO A 64 -3.274 -3.974 -15.977 1.00 0.71 H new ATOM 0 HG3 PRO A 64 -3.313 -2.367 -16.673 1.00 0.71 H new ATOM 0 HD2 PRO A 64 -3.454 -2.765 -13.962 1.00 0.64 H new ATOM 0 HD3 PRO A 64 -4.231 -1.398 -14.736 1.00 0.64 H new ATOM 1098 N GLU A 65 -7.469 -5.703 -15.604 1.00 0.64 N ATOM 1099 CA GLU A 65 -7.829 -7.096 -15.323 1.00 0.60 C ATOM 1100 C GLU A 65 -6.817 -8.099 -15.904 1.00 0.59 C ATOM 1101 O GLU A 65 -6.651 -9.185 -15.357 1.00 0.56 O ATOM 1102 CB GLU A 65 -9.252 -7.372 -15.833 1.00 0.63 C ATOM 1103 CG GLU A 65 -9.336 -7.535 -17.357 1.00 0.69 C ATOM 1104 CD GLU A 65 -10.794 -7.627 -17.828 1.00 0.84 C ATOM 1105 OE1 GLU A 65 -11.361 -8.746 -17.844 1.00 1.86 O ATOM 1106 OE2 GLU A 65 -11.382 -6.580 -18.192 1.00 1.63 O ATOM 0 H GLU A 65 -8.173 -5.199 -16.143 1.00 0.64 H new ATOM 0 HA GLU A 65 -7.802 -7.238 -14.243 1.00 0.60 H new ATOM 0 HB2 GLU A 65 -9.631 -8.277 -15.357 1.00 0.63 H new ATOM 0 HB3 GLU A 65 -9.904 -6.554 -15.527 1.00 0.63 H new ATOM 0 HG2 GLU A 65 -8.847 -6.691 -17.843 1.00 0.69 H new ATOM 0 HG3 GLU A 65 -8.797 -8.433 -17.659 1.00 0.69 H new ATOM 1113 N ALA A 66 -6.100 -7.731 -16.971 1.00 0.65 N ATOM 1114 CA ALA A 66 -5.041 -8.548 -17.567 1.00 0.69 C ATOM 1115 C ALA A 66 -3.843 -8.716 -16.612 1.00 0.63 C ATOM 1116 O ALA A 66 -3.286 -9.809 -16.520 1.00 0.65 O ATOM 1117 CB ALA A 66 -4.628 -7.887 -18.888 1.00 0.78 C ATOM 0 H ALA A 66 -6.243 -6.843 -17.451 1.00 0.65 H new ATOM 0 HA ALA A 66 -5.411 -9.556 -17.756 1.00 0.69 H new ATOM 0 HB1 ALA A 66 -3.838 -8.474 -19.357 1.00 0.78 H new ATOM 0 HB2 ALA A 66 -5.489 -7.838 -19.555 1.00 0.78 H new ATOM 0 HB3 ALA A 66 -4.263 -6.879 -18.692 1.00 0.78 H new ATOM 1123 N TRP A 67 -3.497 -7.674 -15.843 1.00 0.60 N ATOM 1124 CA TRP A 67 -2.482 -7.758 -14.788 1.00 0.55 C ATOM 1125 C TRP A 67 -3.028 -8.505 -13.571 1.00 0.46 C ATOM 1126 O TRP A 67 -2.349 -9.373 -13.028 1.00 0.47 O ATOM 1127 CB TRP A 67 -2.010 -6.357 -14.369 1.00 0.58 C ATOM 1128 CG TRP A 67 -1.041 -6.342 -13.222 1.00 0.63 C ATOM 1129 CD1 TRP A 67 -1.212 -5.669 -12.064 1.00 0.84 C ATOM 1130 CD2 TRP A 67 0.217 -7.071 -13.066 1.00 0.63 C ATOM 1131 NE1 TRP A 67 -0.160 -5.918 -11.207 1.00 0.95 N ATOM 1132 CE2 TRP A 67 0.763 -6.756 -11.784 1.00 0.81 C ATOM 1133 CE3 TRP A 67 0.941 -7.992 -13.857 1.00 0.60 C ATOM 1134 CZ2 TRP A 67 1.984 -7.276 -11.336 1.00 0.88 C ATOM 1135 CZ3 TRP A 67 2.138 -8.556 -13.386 1.00 0.69 C ATOM 1136 CH2 TRP A 67 2.684 -8.163 -12.158 1.00 0.80 C ATOM 0 H TRP A 67 -3.915 -6.748 -15.937 1.00 0.60 H new ATOM 0 HA TRP A 67 -1.631 -8.309 -15.189 1.00 0.55 H new ATOM 0 HB2 TRP A 67 -1.544 -5.873 -15.227 1.00 0.58 H new ATOM 0 HB3 TRP A 67 -2.881 -5.760 -14.100 1.00 0.58 H new ATOM 0 HD1 TRP A 67 -2.052 -5.028 -11.841 1.00 0.84 H new ATOM 0 HE1 TRP A 67 -0.078 -5.530 -10.267 1.00 0.95 H new ATOM 0 HE3 TRP A 67 0.570 -8.265 -14.834 1.00 0.60 H new ATOM 0 HZ2 TRP A 67 2.378 -6.996 -10.370 1.00 0.88 H new ATOM 0 HZ3 TRP A 67 2.644 -9.303 -13.979 1.00 0.69 H new ATOM 0 HH2 TRP A 67 3.645 -8.545 -11.847 1.00 0.80 H new ATOM 1147 N VAL A 68 -4.260 -8.182 -13.166 1.00 0.42 N ATOM 1148 CA VAL A 68 -4.886 -8.746 -11.961 1.00 0.38 C ATOM 1149 C VAL A 68 -5.127 -10.250 -12.116 1.00 0.43 C ATOM 1150 O VAL A 68 -4.896 -11.006 -11.172 1.00 0.45 O ATOM 1151 CB VAL A 68 -6.193 -7.998 -11.623 1.00 0.39 C ATOM 1152 CG1 VAL A 68 -6.970 -8.604 -10.450 1.00 0.41 C ATOM 1153 CG2 VAL A 68 -5.901 -6.535 -11.264 1.00 0.42 C ATOM 0 H VAL A 68 -4.855 -7.520 -13.665 1.00 0.42 H new ATOM 0 HA VAL A 68 -4.198 -8.610 -11.126 1.00 0.38 H new ATOM 0 HB VAL A 68 -6.803 -8.082 -12.522 1.00 0.39 H new ATOM 0 HG11 VAL A 68 -7.875 -8.023 -10.274 1.00 0.41 H new ATOM 0 HG12 VAL A 68 -7.240 -9.634 -10.685 1.00 0.41 H new ATOM 0 HG13 VAL A 68 -6.349 -8.587 -9.555 1.00 0.41 H new ATOM 0 HG21 VAL A 68 -6.835 -6.025 -11.029 1.00 0.42 H new ATOM 0 HG22 VAL A 68 -5.239 -6.498 -10.399 1.00 0.42 H new ATOM 0 HG23 VAL A 68 -5.421 -6.042 -12.109 1.00 0.42 H new ATOM 1163 N SER A 69 -5.550 -10.696 -13.302 1.00 0.49 N ATOM 1164 CA SER A 69 -5.639 -12.124 -13.624 1.00 0.56 C ATOM 1165 C SER A 69 -4.256 -12.777 -13.693 1.00 0.59 C ATOM 1166 O SER A 69 -4.049 -13.787 -13.033 1.00 0.64 O ATOM 1167 CB SER A 69 -6.396 -12.339 -14.941 1.00 0.62 C ATOM 1168 OG SER A 69 -6.767 -13.701 -15.101 1.00 0.68 O ATOM 0 H SER A 69 -5.839 -10.081 -14.063 1.00 0.49 H new ATOM 0 HA SER A 69 -6.194 -12.604 -12.818 1.00 0.56 H new ATOM 0 HB2 SER A 69 -7.287 -11.712 -14.958 1.00 0.62 H new ATOM 0 HB3 SER A 69 -5.771 -12.028 -15.778 1.00 0.62 H new ATOM 0 HG SER A 69 -7.249 -13.811 -15.947 1.00 0.68 H new ATOM 1174 N TYR A 70 -3.275 -12.215 -14.412 1.00 0.61 N ATOM 1175 CA TYR A 70 -1.947 -12.820 -14.568 1.00 0.65 C ATOM 1176 C TYR A 70 -1.219 -12.981 -13.225 1.00 0.61 C ATOM 1177 O TYR A 70 -0.642 -14.033 -12.946 1.00 0.66 O ATOM 1178 CB TYR A 70 -1.144 -11.972 -15.559 1.00 0.71 C ATOM 1179 CG TYR A 70 0.283 -12.425 -15.788 1.00 0.79 C ATOM 1180 CD1 TYR A 70 0.553 -13.680 -16.367 1.00 1.87 C ATOM 1181 CD2 TYR A 70 1.343 -11.568 -15.452 1.00 1.74 C ATOM 1182 CE1 TYR A 70 1.884 -14.069 -16.619 1.00 1.90 C ATOM 1183 CE2 TYR A 70 2.675 -11.942 -15.707 1.00 1.79 C ATOM 1184 CZ TYR A 70 2.950 -13.196 -16.299 1.00 0.93 C ATOM 1185 OH TYR A 70 4.234 -13.566 -16.569 1.00 1.01 O ATOM 0 H TYR A 70 -3.381 -11.327 -14.902 1.00 0.61 H new ATOM 0 HA TYR A 70 -2.057 -13.831 -14.960 1.00 0.65 H new ATOM 0 HB2 TYR A 70 -1.665 -11.970 -16.516 1.00 0.71 H new ATOM 0 HB3 TYR A 70 -1.128 -10.942 -15.202 1.00 0.71 H new ATOM 0 HD1 TYR A 70 -0.260 -14.345 -16.618 1.00 1.87 H new ATOM 0 HD2 TYR A 70 1.134 -10.613 -14.994 1.00 1.74 H new ATOM 0 HE1 TYR A 70 2.090 -15.034 -17.057 1.00 1.90 H new ATOM 0 HE2 TYR A 70 3.484 -11.274 -15.452 1.00 1.79 H new ATOM 0 HH TYR A 70 4.846 -12.853 -16.289 1.00 1.01 H new ATOM 1195 N TYR A 71 -1.312 -11.965 -12.364 1.00 0.51 N ATOM 1196 CA TYR A 71 -0.789 -11.971 -10.999 1.00 0.48 C ATOM 1197 C TYR A 71 -1.401 -13.098 -10.147 1.00 0.54 C ATOM 1198 O TYR A 71 -0.682 -13.812 -9.449 1.00 0.60 O ATOM 1199 CB TYR A 71 -1.027 -10.586 -10.382 1.00 0.43 C ATOM 1200 CG TYR A 71 -0.416 -10.398 -9.008 1.00 0.75 C ATOM 1201 CD1 TYR A 71 -1.099 -10.854 -7.865 1.00 2.15 C ATOM 1202 CD2 TYR A 71 0.839 -9.776 -8.869 1.00 2.22 C ATOM 1203 CE1 TYR A 71 -0.539 -10.671 -6.589 1.00 2.44 C ATOM 1204 CE2 TYR A 71 1.405 -9.598 -7.593 1.00 2.53 C ATOM 1205 CZ TYR A 71 0.714 -10.043 -6.446 1.00 1.84 C ATOM 1206 OH TYR A 71 1.239 -9.852 -5.206 1.00 2.40 O ATOM 0 H TYR A 71 -1.769 -11.086 -12.608 1.00 0.51 H new ATOM 0 HA TYR A 71 0.281 -12.176 -11.024 1.00 0.48 H new ATOM 0 HB2 TYR A 71 -0.622 -9.829 -11.053 1.00 0.43 H new ATOM 0 HB3 TYR A 71 -2.101 -10.411 -10.315 1.00 0.43 H new ATOM 0 HD1 TYR A 71 -2.055 -11.345 -7.969 1.00 2.15 H new ATOM 0 HD2 TYR A 71 1.370 -9.434 -9.745 1.00 2.22 H new ATOM 0 HE1 TYR A 71 -1.072 -11.013 -5.714 1.00 2.44 H new ATOM 0 HE2 TYR A 71 2.368 -9.121 -7.492 1.00 2.53 H new ATOM 0 HH TYR A 71 1.932 -9.160 -5.247 1.00 2.40 H new ATOM 1216 N GLN A 72 -2.720 -13.288 -10.217 1.00 0.55 N ATOM 1217 CA GLN A 72 -3.422 -14.373 -9.521 1.00 0.63 C ATOM 1218 C GLN A 72 -3.180 -15.755 -10.152 1.00 0.72 C ATOM 1219 O GLN A 72 -3.028 -16.736 -9.427 1.00 0.80 O ATOM 1220 CB GLN A 72 -4.923 -14.041 -9.471 1.00 0.65 C ATOM 1221 CG GLN A 72 -5.228 -13.040 -8.344 1.00 0.70 C ATOM 1222 CD GLN A 72 -6.730 -12.808 -8.189 1.00 1.24 C ATOM 1223 OE1 GLN A 72 -7.413 -13.462 -7.411 1.00 1.36 O ATOM 1224 NE2 GLN A 72 -7.306 -11.888 -8.935 1.00 2.58 N ATOM 0 H GLN A 72 -3.339 -12.688 -10.763 1.00 0.55 H new ATOM 0 HA GLN A 72 -3.018 -14.440 -8.511 1.00 0.63 H new ATOM 0 HB2 GLN A 72 -5.239 -13.625 -10.428 1.00 0.65 H new ATOM 0 HB3 GLN A 72 -5.496 -14.955 -9.316 1.00 0.65 H new ATOM 0 HG2 GLN A 72 -4.818 -13.412 -7.405 1.00 0.70 H new ATOM 0 HG3 GLN A 72 -4.733 -12.092 -8.555 1.00 0.70 H new ATOM 0 HE21 GLN A 72 -6.748 -11.337 -9.587 1.00 2.58 H new ATOM 0 HE22 GLN A 72 -8.310 -11.727 -8.861 1.00 2.58 H new ATOM 1233 N ALA A 73 -3.125 -15.848 -11.483 1.00 0.73 N ATOM 1234 CA ALA A 73 -3.105 -17.103 -12.238 1.00 0.84 C ATOM 1235 C ALA A 73 -1.797 -17.886 -12.049 1.00 0.95 C ATOM 1236 O ALA A 73 -1.821 -19.109 -11.905 1.00 1.08 O ATOM 1237 CB ALA A 73 -3.357 -16.770 -13.718 1.00 0.87 C ATOM 0 H ALA A 73 -3.092 -15.025 -12.084 1.00 0.73 H new ATOM 0 HA ALA A 73 -3.890 -17.759 -11.861 1.00 0.84 H new ATOM 0 HB1 ALA A 73 -3.347 -17.689 -14.304 1.00 0.87 H new ATOM 0 HB2 ALA A 73 -4.327 -16.284 -13.821 1.00 0.87 H new ATOM 0 HB3 ALA A 73 -2.576 -16.101 -14.079 1.00 0.87 H new ATOM 1243 N LYS A 74 -0.659 -17.184 -12.008 1.00 0.94 N ATOM 1244 CA LYS A 74 0.653 -17.773 -11.689 1.00 1.09 C ATOM 1245 C LYS A 74 0.995 -17.697 -10.185 1.00 1.07 C ATOM 1246 O LYS A 74 2.057 -18.169 -9.772 1.00 1.18 O ATOM 1247 CB LYS A 74 1.746 -17.101 -12.542 1.00 1.21 C ATOM 1248 CG LYS A 74 1.461 -16.931 -14.030 1.00 1.09 C ATOM 1249 CD LYS A 74 1.070 -18.236 -14.723 1.00 1.62 C ATOM 1250 CE LYS A 74 1.106 -17.907 -16.209 1.00 2.17 C ATOM 1251 NZ LYS A 74 0.592 -19.021 -17.048 1.00 2.99 N ATOM 0 H LYS A 74 -0.619 -16.182 -12.196 1.00 0.94 H new ATOM 0 HA LYS A 74 0.605 -18.834 -11.933 1.00 1.09 H new ATOM 0 HB2 LYS A 74 1.945 -16.115 -12.121 1.00 1.21 H new ATOM 0 HB3 LYS A 74 2.662 -17.683 -12.438 1.00 1.21 H new ATOM 0 HG2 LYS A 74 0.658 -16.205 -14.159 1.00 1.09 H new ATOM 0 HG3 LYS A 74 2.345 -16.519 -14.518 1.00 1.09 H new ATOM 0 HD2 LYS A 74 1.765 -19.039 -14.478 1.00 1.62 H new ATOM 0 HD3 LYS A 74 0.079 -18.567 -14.414 1.00 1.62 H new ATOM 0 HE2 LYS A 74 0.512 -17.012 -16.395 1.00 2.17 H new ATOM 0 HE3 LYS A 74 2.130 -17.677 -16.503 1.00 2.17 H new ATOM 0 HZ1 LYS A 74 0.637 -18.749 -18.051 1.00 2.99 H new ATOM 0 HZ2 LYS A 74 1.173 -19.869 -16.893 1.00 2.99 H new ATOM 0 HZ3 LYS A 74 -0.394 -19.225 -16.788 1.00 2.99 H new ATOM 1265 N ASN A 75 0.127 -17.081 -9.370 1.00 0.93 N ATOM 1266 CA ASN A 75 0.291 -16.866 -7.929 1.00 0.92 C ATOM 1267 C ASN A 75 1.557 -16.042 -7.614 1.00 0.74 C ATOM 1268 O ASN A 75 2.422 -16.456 -6.838 1.00 0.72 O ATOM 1269 CB ASN A 75 0.163 -18.184 -7.143 1.00 1.24 C ATOM 1270 CG ASN A 75 -1.289 -18.639 -7.005 1.00 1.89 C ATOM 1271 OD1 ASN A 75 -1.959 -18.326 -6.027 1.00 3.67 O ATOM 1272 ND2 ASN A 75 -1.820 -19.377 -7.964 1.00 1.41 N ATOM 0 H ASN A 75 -0.753 -16.700 -9.718 1.00 0.93 H new ATOM 0 HA ASN A 75 -0.534 -16.248 -7.575 1.00 0.92 H new ATOM 0 HB2 ASN A 75 0.739 -18.961 -7.646 1.00 1.24 H new ATOM 0 HB3 ASN A 75 0.597 -18.057 -6.151 1.00 1.24 H new ATOM 0 HD21 ASN A 75 -2.789 -19.687 -7.891 1.00 1.41 H new ATOM 0 HD22 ASN A 75 -1.261 -19.636 -8.777 1.00 1.41 H new ATOM 1279 N PHE A 76 1.666 -14.845 -8.204 1.00 0.65 N ATOM 1280 CA PHE A 76 2.786 -13.921 -8.000 1.00 0.57 C ATOM 1281 C PHE A 76 2.890 -13.418 -6.548 1.00 0.55 C ATOM 1282 O PHE A 76 3.960 -12.955 -6.158 1.00 0.54 O ATOM 1283 CB PHE A 76 2.686 -12.760 -8.997 1.00 0.50 C ATOM 1284 CG PHE A 76 3.306 -13.034 -10.358 1.00 0.54 C ATOM 1285 CD1 PHE A 76 4.661 -12.728 -10.584 1.00 1.63 C ATOM 1286 CD2 PHE A 76 2.533 -13.551 -11.413 1.00 1.52 C ATOM 1287 CE1 PHE A 76 5.225 -12.870 -11.865 1.00 1.64 C ATOM 1288 CE2 PHE A 76 3.095 -13.701 -12.693 1.00 1.56 C ATOM 1289 CZ PHE A 76 4.437 -13.355 -12.921 1.00 0.64 C ATOM 0 H PHE A 76 0.963 -14.486 -8.850 1.00 0.65 H new ATOM 0 HA PHE A 76 3.709 -14.470 -8.186 1.00 0.57 H new ATOM 0 HB2 PHE A 76 1.635 -12.509 -9.136 1.00 0.50 H new ATOM 0 HB3 PHE A 76 3.168 -11.884 -8.563 1.00 0.50 H new ATOM 0 HD1 PHE A 76 5.274 -12.381 -9.766 1.00 1.63 H new ATOM 0 HD2 PHE A 76 1.505 -13.834 -11.240 1.00 1.52 H new ATOM 0 HE1 PHE A 76 6.259 -12.607 -12.035 1.00 1.64 H new ATOM 0 HE2 PHE A 76 2.493 -14.084 -13.504 1.00 1.56 H new ATOM 0 HZ PHE A 76 4.862 -13.462 -13.908 1.00 0.64 H new ATOM 1299 N LEU A 77 1.858 -13.613 -5.709 1.00 0.59 N ATOM 1300 CA LEU A 77 1.957 -13.462 -4.249 1.00 0.63 C ATOM 1301 C LEU A 77 3.135 -14.258 -3.647 1.00 0.67 C ATOM 1302 O LEU A 77 3.674 -13.863 -2.616 1.00 0.72 O ATOM 1303 CB LEU A 77 0.646 -13.893 -3.548 1.00 0.69 C ATOM 1304 CG LEU A 77 -0.580 -12.978 -3.745 1.00 0.68 C ATOM 1305 CD1 LEU A 77 -1.474 -13.451 -4.902 1.00 1.29 C ATOM 1306 CD2 LEU A 77 -1.451 -12.931 -2.481 1.00 1.02 C ATOM 0 H LEU A 77 0.927 -13.881 -6.028 1.00 0.59 H new ATOM 0 HA LEU A 77 2.136 -12.401 -4.072 1.00 0.63 H new ATOM 0 HB2 LEU A 77 0.385 -14.891 -3.899 1.00 0.69 H new ATOM 0 HB3 LEU A 77 0.842 -13.973 -2.479 1.00 0.69 H new ATOM 0 HG LEU A 77 -0.178 -11.990 -3.970 1.00 0.68 H new ATOM 0 HD11 LEU A 77 -2.325 -12.777 -5.004 1.00 1.29 H new ATOM 0 HD12 LEU A 77 -0.900 -13.453 -5.828 1.00 1.29 H new ATOM 0 HD13 LEU A 77 -1.833 -14.459 -4.696 1.00 1.29 H new ATOM 0 HD21 LEU A 77 -2.307 -12.278 -2.653 1.00 1.02 H new ATOM 0 HD22 LEU A 77 -1.803 -13.935 -2.244 1.00 1.02 H new ATOM 0 HD23 LEU A 77 -0.863 -12.547 -1.648 1.00 1.02 H new ATOM 1318 N ALA A 78 3.567 -15.355 -4.288 1.00 0.68 N ATOM 1319 CA ALA A 78 4.705 -16.164 -3.853 1.00 0.73 C ATOM 1320 C ALA A 78 6.073 -15.487 -4.073 1.00 0.69 C ATOM 1321 O ALA A 78 7.040 -15.853 -3.403 1.00 0.73 O ATOM 1322 CB ALA A 78 4.637 -17.496 -4.610 1.00 0.79 C ATOM 0 H ALA A 78 3.125 -15.707 -5.137 1.00 0.68 H new ATOM 0 HA ALA A 78 4.630 -16.307 -2.775 1.00 0.73 H new ATOM 0 HB1 ALA A 78 5.473 -18.128 -4.310 1.00 0.79 H new ATOM 0 HB2 ALA A 78 3.699 -18.000 -4.376 1.00 0.79 H new ATOM 0 HB3 ALA A 78 4.690 -17.308 -5.682 1.00 0.79 H new ATOM 1328 N ILE A 79 6.175 -14.528 -5.007 1.00 0.61 N ATOM 1329 CA ILE A 79 7.451 -13.895 -5.411 1.00 0.61 C ATOM 1330 C ILE A 79 7.476 -12.370 -5.215 1.00 0.56 C ATOM 1331 O ILE A 79 8.541 -11.760 -5.296 1.00 0.53 O ATOM 1332 CB ILE A 79 7.858 -14.318 -6.848 1.00 0.63 C ATOM 1333 CG1 ILE A 79 7.101 -13.621 -8.005 1.00 0.61 C ATOM 1334 CG2 ILE A 79 7.723 -15.840 -7.030 1.00 0.68 C ATOM 1335 CD1 ILE A 79 7.925 -12.500 -8.650 1.00 0.62 C ATOM 0 H ILE A 79 5.367 -14.163 -5.512 1.00 0.61 H new ATOM 0 HA ILE A 79 8.210 -14.275 -4.727 1.00 0.61 H new ATOM 0 HB ILE A 79 8.894 -13.989 -6.922 1.00 0.63 H new ATOM 0 HG12 ILE A 79 6.841 -14.360 -8.763 1.00 0.61 H new ATOM 0 HG13 ILE A 79 6.165 -13.209 -7.627 1.00 0.61 H new ATOM 0 HG21 ILE A 79 8.014 -16.112 -8.045 1.00 0.68 H new ATOM 0 HG22 ILE A 79 8.371 -16.351 -6.318 1.00 0.68 H new ATOM 0 HG23 ILE A 79 6.689 -16.137 -6.857 1.00 0.68 H new ATOM 0 HD11 ILE A 79 7.350 -12.043 -9.455 1.00 0.62 H new ATOM 0 HD12 ILE A 79 8.162 -11.745 -7.900 1.00 0.62 H new ATOM 0 HD13 ILE A 79 8.849 -12.914 -9.054 1.00 0.62 H new ATOM 1347 N ASP A 80 6.326 -11.755 -4.930 1.00 0.56 N ATOM 1348 CA ASP A 80 6.167 -10.319 -4.699 1.00 0.50 C ATOM 1349 C ASP A 80 6.571 -9.938 -3.253 1.00 0.58 C ATOM 1350 O ASP A 80 5.991 -10.472 -2.300 1.00 0.69 O ATOM 1351 CB ASP A 80 4.705 -9.940 -5.004 1.00 0.52 C ATOM 1352 CG ASP A 80 4.400 -8.442 -4.870 1.00 0.98 C ATOM 1353 OD1 ASP A 80 5.214 -7.703 -4.272 1.00 2.10 O ATOM 1354 OD2 ASP A 80 3.315 -8.032 -5.337 1.00 1.77 O ATOM 0 H ASP A 80 5.446 -12.265 -4.851 1.00 0.56 H new ATOM 0 HA ASP A 80 6.829 -9.759 -5.359 1.00 0.50 H new ATOM 0 HB2 ASP A 80 4.463 -10.259 -6.018 1.00 0.52 H new ATOM 0 HB3 ASP A 80 4.050 -10.494 -4.331 1.00 0.52 H new ATOM 1359 N PRO A 81 7.522 -8.998 -3.063 1.00 0.60 N ATOM 1360 CA PRO A 81 7.955 -8.551 -1.744 1.00 0.72 C ATOM 1361 C PRO A 81 6.995 -7.575 -1.046 1.00 0.72 C ATOM 1362 O PRO A 81 7.157 -7.390 0.158 1.00 0.81 O ATOM 1363 CB PRO A 81 9.328 -7.913 -1.969 1.00 0.80 C ATOM 1364 CG PRO A 81 9.227 -7.358 -3.386 1.00 0.69 C ATOM 1365 CD PRO A 81 8.348 -8.383 -4.096 1.00 0.61 C ATOM 0 HA PRO A 81 7.983 -9.401 -1.063 1.00 0.72 H new ATOM 0 HB2 PRO A 81 9.530 -7.126 -1.242 1.00 0.80 H new ATOM 0 HB3 PRO A 81 10.131 -8.644 -1.879 1.00 0.80 H new ATOM 0 HG2 PRO A 81 8.779 -6.364 -3.399 1.00 0.69 H new ATOM 0 HG3 PRO A 81 10.207 -7.272 -3.856 1.00 0.69 H new ATOM 0 HD2 PRO A 81 7.729 -7.905 -4.856 1.00 0.61 H new ATOM 0 HD3 PRO A 81 8.956 -9.131 -4.605 1.00 0.61 H new ATOM 1373 N VAL A 82 6.009 -6.953 -1.721 1.00 0.66 N ATOM 1374 CA VAL A 82 5.143 -5.917 -1.100 1.00 0.71 C ATOM 1375 C VAL A 82 4.194 -6.460 -0.014 1.00 0.75 C ATOM 1376 O VAL A 82 3.487 -5.681 0.623 1.00 0.92 O ATOM 1377 CB VAL A 82 4.334 -5.073 -2.122 1.00 0.78 C ATOM 1378 CG1 VAL A 82 5.237 -4.483 -3.221 1.00 1.84 C ATOM 1379 CG2 VAL A 82 3.096 -5.799 -2.687 1.00 2.01 C ATOM 0 H VAL A 82 5.788 -7.146 -2.698 1.00 0.66 H new ATOM 0 HA VAL A 82 5.864 -5.258 -0.617 1.00 0.71 H new ATOM 0 HB VAL A 82 3.928 -4.232 -1.560 1.00 0.78 H new ATOM 0 HG11 VAL A 82 4.632 -3.900 -3.915 1.00 1.84 H new ATOM 0 HG12 VAL A 82 5.990 -3.839 -2.766 1.00 1.84 H new ATOM 0 HG13 VAL A 82 5.730 -5.292 -3.760 1.00 1.84 H new ATOM 0 HG21 VAL A 82 2.583 -5.147 -3.393 1.00 2.01 H new ATOM 0 HG22 VAL A 82 3.410 -6.710 -3.196 1.00 2.01 H new ATOM 0 HG23 VAL A 82 2.420 -6.054 -1.871 1.00 2.01 H new ATOM 1389 N LEU A 83 4.179 -7.783 0.199 1.00 0.74 N ATOM 1390 CA LEU A 83 3.423 -8.481 1.245 1.00 0.81 C ATOM 1391 C LEU A 83 4.310 -9.248 2.250 1.00 0.83 C ATOM 1392 O LEU A 83 3.788 -9.916 3.142 1.00 0.85 O ATOM 1393 CB LEU A 83 2.347 -9.356 0.561 1.00 0.84 C ATOM 1394 CG LEU A 83 2.833 -10.448 -0.425 1.00 0.80 C ATOM 1395 CD1 LEU A 83 3.517 -11.635 0.274 1.00 0.84 C ATOM 1396 CD2 LEU A 83 1.618 -10.968 -1.207 1.00 0.96 C ATOM 0 H LEU A 83 4.719 -8.425 -0.381 1.00 0.74 H new ATOM 0 HA LEU A 83 2.929 -7.744 1.878 1.00 0.81 H new ATOM 0 HB2 LEU A 83 1.764 -9.844 1.342 1.00 0.84 H new ATOM 0 HB3 LEU A 83 1.668 -8.695 0.022 1.00 0.84 H new ATOM 0 HG LEU A 83 3.576 -9.992 -1.079 1.00 0.80 H new ATOM 0 HD11 LEU A 83 3.833 -12.364 -0.472 1.00 0.84 H new ATOM 0 HD12 LEU A 83 4.387 -11.280 0.826 1.00 0.84 H new ATOM 0 HD13 LEU A 83 2.816 -12.104 0.964 1.00 0.84 H new ATOM 0 HD21 LEU A 83 1.939 -11.739 -1.908 1.00 0.96 H new ATOM 0 HD22 LEU A 83 0.891 -11.389 -0.512 1.00 0.96 H new ATOM 0 HD23 LEU A 83 1.160 -10.146 -1.757 1.00 0.96 H new ATOM 1408 N ASN A 84 5.642 -9.188 2.111 1.00 0.87 N ATOM 1409 CA ASN A 84 6.596 -9.949 2.928 1.00 0.93 C ATOM 1410 C ASN A 84 7.289 -9.055 3.978 1.00 0.92 C ATOM 1411 O ASN A 84 8.182 -8.295 3.591 1.00 0.88 O ATOM 1412 CB ASN A 84 7.647 -10.580 1.997 1.00 0.99 C ATOM 1413 CG ASN A 84 8.667 -11.448 2.742 1.00 1.70 C ATOM 1414 OD1 ASN A 84 8.653 -11.580 3.962 1.00 2.67 O ATOM 1415 ND2 ASN A 84 9.599 -12.053 2.031 1.00 1.74 N ATOM 0 H ASN A 84 6.095 -8.597 1.413 1.00 0.87 H new ATOM 0 HA ASN A 84 6.053 -10.723 3.470 1.00 0.93 H new ATOM 0 HB2 ASN A 84 7.141 -11.188 1.247 1.00 0.99 H new ATOM 0 HB3 ASN A 84 8.173 -9.788 1.464 1.00 0.99 H new ATOM 0 HD21 ASN A 84 10.303 -12.627 2.496 1.00 1.74 H new ATOM 0 HD22 ASN A 84 9.616 -11.947 1.017 1.00 1.74 H new ATOM 1422 N PRO A 85 6.974 -9.171 5.287 1.00 0.98 N ATOM 1423 CA PRO A 85 7.464 -8.255 6.323 1.00 0.97 C ATOM 1424 C PRO A 85 8.990 -8.275 6.518 1.00 0.95 C ATOM 1425 O PRO A 85 9.536 -7.292 7.017 1.00 0.97 O ATOM 1426 CB PRO A 85 6.727 -8.658 7.606 1.00 1.03 C ATOM 1427 CG PRO A 85 6.381 -10.127 7.383 1.00 1.07 C ATOM 1428 CD PRO A 85 6.095 -10.169 5.885 1.00 1.06 C ATOM 0 HA PRO A 85 7.261 -7.225 6.029 1.00 0.97 H new ATOM 0 HB2 PRO A 85 7.355 -8.525 8.487 1.00 1.03 H new ATOM 0 HB3 PRO A 85 5.832 -8.055 7.759 1.00 1.03 H new ATOM 0 HG2 PRO A 85 7.205 -10.785 7.658 1.00 1.07 H new ATOM 0 HG3 PRO A 85 5.516 -10.435 7.971 1.00 1.07 H new ATOM 0 HD2 PRO A 85 6.293 -11.160 5.476 1.00 1.06 H new ATOM 0 HD3 PRO A 85 5.049 -9.942 5.680 1.00 1.06 H new ATOM 1436 N GLU A 86 9.694 -9.340 6.105 1.00 0.97 N ATOM 1437 CA GLU A 86 11.159 -9.425 6.208 1.00 1.04 C ATOM 1438 C GLU A 86 11.887 -8.432 5.284 1.00 0.99 C ATOM 1439 O GLU A 86 12.982 -7.973 5.616 1.00 1.11 O ATOM 1440 CB GLU A 86 11.635 -10.848 5.877 1.00 1.13 C ATOM 1441 CG GLU A 86 11.241 -11.867 6.958 1.00 1.36 C ATOM 1442 CD GLU A 86 11.691 -13.306 6.639 1.00 1.90 C ATOM 1443 OE1 GLU A 86 12.471 -13.539 5.684 1.00 2.64 O ATOM 1444 OE2 GLU A 86 11.269 -14.233 7.371 1.00 2.99 O ATOM 0 H GLU A 86 9.264 -10.167 5.690 1.00 0.97 H new ATOM 0 HA GLU A 86 11.407 -9.166 7.237 1.00 1.04 H new ATOM 0 HB2 GLU A 86 11.212 -11.156 4.921 1.00 1.13 H new ATOM 0 HB3 GLU A 86 12.719 -10.847 5.761 1.00 1.13 H new ATOM 0 HG2 GLU A 86 11.675 -11.561 7.910 1.00 1.36 H new ATOM 0 HG3 GLU A 86 10.158 -11.852 7.083 1.00 1.36 H new ATOM 1451 N ASN A 87 11.297 -8.075 4.135 1.00 0.85 N ATOM 1452 CA ASN A 87 11.911 -7.143 3.184 1.00 0.81 C ATOM 1453 C ASN A 87 11.846 -5.683 3.686 1.00 0.80 C ATOM 1454 O ASN A 87 12.684 -4.858 3.309 1.00 0.81 O ATOM 1455 CB ASN A 87 11.243 -7.322 1.805 1.00 0.79 C ATOM 1456 CG ASN A 87 12.154 -6.969 0.624 1.00 1.33 C ATOM 1457 OD1 ASN A 87 12.275 -7.730 -0.327 1.00 1.94 O ATOM 1458 ND2 ASN A 87 12.837 -5.837 0.631 1.00 2.71 N ATOM 0 H ASN A 87 10.385 -8.423 3.841 1.00 0.85 H new ATOM 0 HA ASN A 87 12.972 -7.372 3.090 1.00 0.81 H new ATOM 0 HB2 ASN A 87 10.916 -8.357 1.702 1.00 0.79 H new ATOM 0 HB3 ASN A 87 10.350 -6.699 1.761 1.00 0.79 H new ATOM 0 HD21 ASN A 87 13.454 -5.609 -0.149 1.00 2.71 H new ATOM 0 HD22 ASN A 87 12.747 -5.192 1.416 1.00 2.71 H new ATOM 1465 N PHE A 88 10.875 -5.350 4.546 1.00 0.82 N ATOM 1466 CA PHE A 88 10.656 -4.011 5.104 1.00 0.83 C ATOM 1467 C PHE A 88 11.633 -3.753 6.267 1.00 0.88 C ATOM 1468 O PHE A 88 11.243 -3.639 7.428 1.00 0.93 O ATOM 1469 CB PHE A 88 9.183 -3.859 5.534 1.00 0.85 C ATOM 1470 CG PHE A 88 8.172 -3.982 4.412 1.00 0.76 C ATOM 1471 CD1 PHE A 88 7.794 -5.253 3.960 1.00 1.63 C ATOM 1472 CD2 PHE A 88 7.616 -2.840 3.812 1.00 2.28 C ATOM 1473 CE1 PHE A 88 6.882 -5.400 2.900 1.00 1.66 C ATOM 1474 CE2 PHE A 88 6.689 -2.977 2.766 1.00 2.21 C ATOM 1475 CZ PHE A 88 6.324 -4.254 2.306 1.00 0.59 C ATOM 0 H PHE A 88 10.196 -6.032 4.884 1.00 0.82 H new ATOM 0 HA PHE A 88 10.856 -3.257 4.342 1.00 0.83 H new ATOM 0 HB2 PHE A 88 8.960 -4.614 6.288 1.00 0.85 H new ATOM 0 HB3 PHE A 88 9.058 -2.887 6.011 1.00 0.85 H new ATOM 0 HD1 PHE A 88 8.209 -6.132 4.432 1.00 1.63 H new ATOM 0 HD2 PHE A 88 7.901 -1.857 4.155 1.00 2.28 H new ATOM 0 HE1 PHE A 88 6.613 -6.384 2.545 1.00 1.66 H new ATOM 0 HE2 PHE A 88 6.255 -2.098 2.313 1.00 2.21 H new ATOM 0 HZ PHE A 88 5.616 -4.355 1.497 1.00 0.59 H new ATOM 1485 N SER A 89 12.926 -3.668 5.957 1.00 0.87 N ATOM 1486 CA SER A 89 14.008 -3.660 6.965 1.00 0.95 C ATOM 1487 C SER A 89 14.089 -2.352 7.778 1.00 0.98 C ATOM 1488 O SER A 89 14.676 -2.333 8.863 1.00 1.05 O ATOM 1489 CB SER A 89 15.357 -3.950 6.287 1.00 0.94 C ATOM 1490 OG SER A 89 15.454 -5.313 5.885 1.00 1.06 O ATOM 0 H SER A 89 13.264 -3.602 4.997 1.00 0.87 H new ATOM 0 HA SER A 89 13.770 -4.446 7.681 1.00 0.95 H new ATOM 0 HB2 SER A 89 15.475 -3.303 5.418 1.00 0.94 H new ATOM 0 HB3 SER A 89 16.170 -3.713 6.974 1.00 0.94 H new ATOM 0 HG SER A 89 16.321 -5.467 5.456 1.00 1.06 H new ATOM 1496 N GLN A 90 13.461 -1.271 7.301 1.00 0.94 N ATOM 1497 CA GLN A 90 13.161 -0.049 8.065 1.00 0.99 C ATOM 1498 C GLN A 90 11.657 0.305 7.965 1.00 0.94 C ATOM 1499 O GLN A 90 11.274 1.478 7.986 1.00 0.96 O ATOM 1500 CB GLN A 90 14.092 1.096 7.605 1.00 1.05 C ATOM 1501 CG GLN A 90 15.575 0.884 7.963 1.00 1.19 C ATOM 1502 CD GLN A 90 15.861 0.996 9.466 1.00 2.29 C ATOM 1503 OE1 GLN A 90 16.135 2.067 9.997 1.00 2.75 O ATOM 1504 NE2 GLN A 90 15.803 -0.086 10.215 1.00 3.80 N ATOM 0 H GLN A 90 13.134 -1.219 6.336 1.00 0.94 H new ATOM 0 HA GLN A 90 13.360 -0.216 9.124 1.00 0.99 H new ATOM 0 HB2 GLN A 90 14.003 1.210 6.525 1.00 1.05 H new ATOM 0 HB3 GLN A 90 13.751 2.029 8.053 1.00 1.05 H new ATOM 0 HG2 GLN A 90 15.888 -0.100 7.613 1.00 1.19 H new ATOM 0 HG3 GLN A 90 16.178 1.619 7.430 1.00 1.19 H new ATOM 0 HE21 GLN A 90 15.577 -0.987 9.793 1.00 3.80 H new ATOM 0 HE22 GLN A 90 15.984 -0.023 11.217 1.00 3.80 H new ATOM 1513 N GLY A 91 10.790 -0.712 7.823 1.00 0.89 N ATOM 1514 CA GLY A 91 9.324 -0.574 7.797 1.00 0.87 C ATOM 1515 C GLY A 91 8.741 -0.078 6.467 1.00 0.79 C ATOM 1516 O GLY A 91 7.575 0.309 6.414 1.00 0.81 O ATOM 0 H GLY A 91 11.098 -1.679 7.720 1.00 0.89 H new ATOM 0 HA2 GLY A 91 8.879 -1.541 8.033 1.00 0.87 H new ATOM 0 HA3 GLY A 91 9.025 0.116 8.587 1.00 0.87 H new ATOM 1520 N HIS A 92 9.532 -0.068 5.392 1.00 0.73 N ATOM 1521 CA HIS A 92 9.220 0.624 4.136 1.00 0.73 C ATOM 1522 C HIS A 92 9.938 -0.012 2.922 1.00 0.74 C ATOM 1523 O HIS A 92 11.025 -0.577 3.081 1.00 0.89 O ATOM 1524 CB HIS A 92 9.613 2.096 4.332 1.00 0.90 C ATOM 1525 CG HIS A 92 9.556 2.904 3.069 1.00 0.82 C ATOM 1526 ND1 HIS A 92 8.425 3.241 2.364 1.00 0.76 N ATOM 1527 CD2 HIS A 92 10.634 3.296 2.325 1.00 0.83 C ATOM 1528 CE1 HIS A 92 8.816 3.827 1.224 1.00 0.71 C ATOM 1529 NE2 HIS A 92 10.154 3.905 1.165 1.00 0.76 N ATOM 0 H HIS A 92 10.429 -0.552 5.368 1.00 0.73 H new ATOM 0 HA HIS A 92 8.157 0.538 3.909 1.00 0.73 H new ATOM 0 HB2 HIS A 92 8.950 2.545 5.072 1.00 0.90 H new ATOM 0 HB3 HIS A 92 10.623 2.143 4.739 1.00 0.90 H new ATOM 0 HD1 HIS A 92 7.462 3.075 2.656 1.00 0.76 H new ATOM 0 HD2 HIS A 92 11.672 3.159 2.588 1.00 0.83 H new ATOM 0 HE1 HIS A 92 8.146 4.187 0.458 1.00 0.71 H new ATOM 1537 N LEU A 93 9.338 0.087 1.723 1.00 0.67 N ATOM 1538 CA LEU A 93 9.822 -0.501 0.464 1.00 0.68 C ATOM 1539 C LEU A 93 9.808 0.516 -0.694 1.00 0.67 C ATOM 1540 O LEU A 93 8.895 1.337 -0.818 1.00 0.69 O ATOM 1541 CB LEU A 93 8.934 -1.718 0.100 1.00 0.77 C ATOM 1542 CG LEU A 93 9.520 -3.129 0.277 1.00 0.87 C ATOM 1543 CD1 LEU A 93 10.459 -3.478 -0.873 1.00 1.29 C ATOM 1544 CD2 LEU A 93 10.280 -3.333 1.585 1.00 2.51 C ATOM 0 H LEU A 93 8.466 0.601 1.601 1.00 0.67 H new ATOM 0 HA LEU A 93 10.856 -0.812 0.612 1.00 0.68 H new ATOM 0 HB2 LEU A 93 8.026 -1.658 0.700 1.00 0.77 H new ATOM 0 HB3 LEU A 93 8.635 -1.611 -0.943 1.00 0.77 H new ATOM 0 HG LEU A 93 8.651 -3.787 0.292 1.00 0.87 H new ATOM 0 HD11 LEU A 93 10.860 -4.481 -0.724 1.00 1.29 H new ATOM 0 HD12 LEU A 93 9.910 -3.443 -1.814 1.00 1.29 H new ATOM 0 HD13 LEU A 93 11.279 -2.760 -0.904 1.00 1.29 H new ATOM 0 HD21 LEU A 93 10.660 -4.354 1.630 1.00 2.51 H new ATOM 0 HD22 LEU A 93 11.114 -2.633 1.634 1.00 2.51 H new ATOM 0 HD23 LEU A 93 9.609 -3.158 2.426 1.00 2.51 H new ATOM 1556 N MET A 94 10.804 0.409 -1.579 1.00 0.64 N ATOM 1557 CA MET A 94 11.024 1.285 -2.741 1.00 0.64 C ATOM 1558 C MET A 94 11.273 0.469 -4.007 1.00 0.68 C ATOM 1559 O MET A 94 12.089 -0.454 -3.993 1.00 0.84 O ATOM 1560 CB MET A 94 12.266 2.151 -2.493 1.00 0.66 C ATOM 1561 CG MET A 94 12.010 3.189 -1.408 1.00 0.89 C ATOM 1562 SD MET A 94 13.436 4.248 -1.083 1.00 1.02 S ATOM 1563 CE MET A 94 12.525 5.796 -0.942 1.00 0.77 C ATOM 0 H MET A 94 11.512 -0.322 -1.504 1.00 0.64 H new ATOM 0 HA MET A 94 10.132 1.898 -2.873 1.00 0.64 H new ATOM 0 HB2 MET A 94 13.102 1.516 -2.201 1.00 0.66 H new ATOM 0 HB3 MET A 94 12.553 2.652 -3.418 1.00 0.66 H new ATOM 0 HG2 MET A 94 11.164 3.810 -1.702 1.00 0.89 H new ATOM 0 HG3 MET A 94 11.727 2.680 -0.487 1.00 0.89 H new ATOM 0 HE1 MET A 94 13.224 6.632 -0.951 1.00 0.77 H new ATOM 0 HE2 MET A 94 11.836 5.891 -1.781 1.00 0.77 H new ATOM 0 HE3 MET A 94 11.962 5.803 -0.008 1.00 0.77 H new ATOM 1573 N TRP A 95 10.615 0.823 -5.115 1.00 0.61 N ATOM 1574 CA TRP A 95 10.779 0.098 -6.375 1.00 0.63 C ATOM 1575 C TRP A 95 11.962 0.660 -7.179 1.00 0.75 C ATOM 1576 O TRP A 95 11.889 1.753 -7.745 1.00 0.75 O ATOM 1577 CB TRP A 95 9.492 0.157 -7.218 1.00 0.48 C ATOM 1578 CG TRP A 95 8.210 -0.408 -6.671 1.00 0.43 C ATOM 1579 CD1 TRP A 95 7.922 -0.714 -5.385 1.00 0.49 C ATOM 1580 CD2 TRP A 95 6.974 -0.660 -7.411 1.00 0.43 C ATOM 1581 NE1 TRP A 95 6.597 -1.078 -5.273 1.00 0.53 N ATOM 1582 CE2 TRP A 95 5.947 -1.008 -6.483 1.00 0.49 C ATOM 1583 CE3 TRP A 95 6.607 -0.566 -8.772 1.00 0.49 C ATOM 1584 CZ2 TRP A 95 4.610 -1.178 -6.871 1.00 0.58 C ATOM 1585 CZ3 TRP A 95 5.268 -0.721 -9.171 1.00 0.60 C ATOM 1586 CH2 TRP A 95 4.270 -1.016 -8.224 1.00 0.64 C ATOM 0 H TRP A 95 9.964 1.607 -5.163 1.00 0.61 H new ATOM 0 HA TRP A 95 10.986 -0.944 -6.132 1.00 0.63 H new ATOM 0 HB2 TRP A 95 9.309 1.204 -7.458 1.00 0.48 H new ATOM 0 HB3 TRP A 95 9.697 -0.354 -8.159 1.00 0.48 H new ATOM 0 HD1 TRP A 95 8.626 -0.678 -4.567 1.00 0.49 H new ATOM 0 HE1 TRP A 95 6.153 -1.364 -4.400 1.00 0.53 H new ATOM 0 HE3 TRP A 95 7.365 -0.372 -9.516 1.00 0.49 H new ATOM 0 HZ2 TRP A 95 3.854 -1.429 -6.141 1.00 0.58 H new ATOM 0 HZ3 TRP A 95 5.003 -0.613 -10.212 1.00 0.60 H new ATOM 0 HH2 TRP A 95 3.242 -1.118 -8.538 1.00 0.64 H new ATOM 1597 N ASN A 96 13.025 -0.137 -7.283 1.00 0.91 N ATOM 1598 CA ASN A 96 14.085 -0.004 -8.282 1.00 0.89 C ATOM 1599 C ASN A 96 14.369 -1.373 -8.924 1.00 0.77 C ATOM 1600 O ASN A 96 13.999 -2.408 -8.372 1.00 0.87 O ATOM 1601 CB ASN A 96 15.343 0.641 -7.661 1.00 1.34 C ATOM 1602 CG ASN A 96 15.249 2.165 -7.520 1.00 1.82 C ATOM 1603 OD1 ASN A 96 14.714 2.869 -8.372 1.00 2.52 O ATOM 1604 ND2 ASN A 96 15.801 2.729 -6.459 1.00 2.31 N ATOM 0 H ASN A 96 13.177 -0.922 -6.650 1.00 0.91 H new ATOM 0 HA ASN A 96 13.758 0.666 -9.077 1.00 0.89 H new ATOM 0 HB2 ASN A 96 15.517 0.204 -6.678 1.00 1.34 H new ATOM 0 HB3 ASN A 96 16.208 0.395 -8.276 1.00 1.34 H new ATOM 0 HD21 ASN A 96 15.781 3.743 -6.352 1.00 2.31 H new ATOM 0 HD22 ASN A 96 16.247 2.150 -5.748 1.00 2.31 H new ATOM 1611 N ASP A 97 15.027 -1.392 -10.086 1.00 0.64 N ATOM 1612 CA ASP A 97 15.343 -2.608 -10.856 1.00 0.57 C ATOM 1613 C ASP A 97 16.110 -3.654 -10.022 1.00 0.64 C ATOM 1614 O ASP A 97 15.951 -4.857 -10.216 1.00 0.70 O ATOM 1615 CB ASP A 97 16.158 -2.212 -12.098 1.00 0.49 C ATOM 1616 CG ASP A 97 15.433 -1.185 -12.978 1.00 1.09 C ATOM 1617 OD1 ASP A 97 15.442 0.018 -12.621 1.00 2.30 O ATOM 1618 OD2 ASP A 97 14.837 -1.584 -14.005 1.00 2.23 O ATOM 0 H ASP A 97 15.366 -0.540 -10.534 1.00 0.64 H new ATOM 0 HA ASP A 97 14.404 -3.075 -11.151 1.00 0.57 H new ATOM 0 HB2 ASP A 97 17.117 -1.802 -11.783 1.00 0.49 H new ATOM 0 HB3 ASP A 97 16.371 -3.104 -12.687 1.00 0.49 H new ATOM 1623 N ASP A 98 16.911 -3.177 -9.064 1.00 0.69 N ATOM 1624 CA ASP A 98 17.626 -3.945 -8.043 1.00 0.84 C ATOM 1625 C ASP A 98 16.695 -4.737 -7.101 1.00 0.82 C ATOM 1626 O ASP A 98 16.964 -5.898 -6.791 1.00 0.93 O ATOM 1627 CB ASP A 98 18.429 -2.949 -7.198 1.00 1.01 C ATOM 1628 CG ASP A 98 19.475 -2.176 -8.018 1.00 1.78 C ATOM 1629 OD1 ASP A 98 20.616 -2.675 -8.163 1.00 2.12 O ATOM 1630 OD2 ASP A 98 19.147 -1.064 -8.498 1.00 3.12 O ATOM 0 H ASP A 98 17.088 -2.176 -8.977 1.00 0.69 H new ATOM 0 HA ASP A 98 18.253 -4.675 -8.555 1.00 0.84 H new ATOM 0 HB2 ASP A 98 17.744 -2.241 -6.732 1.00 1.01 H new ATOM 0 HB3 ASP A 98 18.930 -3.485 -6.392 1.00 1.01 H new ATOM 1635 N LEU A 99 15.593 -4.120 -6.659 1.00 0.73 N ATOM 1636 CA LEU A 99 14.576 -4.732 -5.793 1.00 0.74 C ATOM 1637 C LEU A 99 13.873 -5.873 -6.546 1.00 0.62 C ATOM 1638 O LEU A 99 13.685 -6.968 -6.017 1.00 0.69 O ATOM 1639 CB LEU A 99 13.617 -3.607 -5.327 1.00 0.79 C ATOM 1640 CG LEU A 99 12.756 -3.853 -4.071 1.00 0.91 C ATOM 1641 CD1 LEU A 99 11.833 -5.071 -4.160 1.00 1.79 C ATOM 1642 CD2 LEU A 99 13.633 -3.924 -2.816 1.00 1.49 C ATOM 0 H LEU A 99 15.377 -3.153 -6.901 1.00 0.73 H new ATOM 0 HA LEU A 99 15.014 -5.188 -4.905 1.00 0.74 H new ATOM 0 HB2 LEU A 99 14.215 -2.713 -5.150 1.00 0.79 H new ATOM 0 HB3 LEU A 99 12.943 -3.382 -6.153 1.00 0.79 H new ATOM 0 HG LEU A 99 12.091 -2.992 -4.003 1.00 0.91 H new ATOM 0 HD11 LEU A 99 11.266 -5.167 -3.234 1.00 1.79 H new ATOM 0 HD12 LEU A 99 11.144 -4.945 -4.995 1.00 1.79 H new ATOM 0 HD13 LEU A 99 12.430 -5.970 -4.314 1.00 1.79 H new ATOM 0 HD21 LEU A 99 13.005 -4.098 -1.942 1.00 1.49 H new ATOM 0 HD22 LEU A 99 14.348 -4.741 -2.917 1.00 1.49 H new ATOM 0 HD23 LEU A 99 14.171 -2.984 -2.694 1.00 1.49 H new ATOM 1654 N PHE A 100 13.577 -5.636 -7.825 1.00 0.54 N ATOM 1655 CA PHE A 100 12.941 -6.581 -8.740 1.00 0.51 C ATOM 1656 C PHE A 100 13.956 -7.487 -9.472 1.00 0.58 C ATOM 1657 O PHE A 100 13.617 -8.121 -10.469 1.00 0.61 O ATOM 1658 CB PHE A 100 12.050 -5.792 -9.710 1.00 0.50 C ATOM 1659 CG PHE A 100 10.809 -5.192 -9.069 1.00 0.52 C ATOM 1660 CD1 PHE A 100 10.917 -4.086 -8.205 1.00 1.55 C ATOM 1661 CD2 PHE A 100 9.538 -5.743 -9.324 1.00 1.33 C ATOM 1662 CE1 PHE A 100 9.775 -3.549 -7.588 1.00 1.54 C ATOM 1663 CE2 PHE A 100 8.392 -5.166 -8.753 1.00 1.37 C ATOM 1664 CZ PHE A 100 8.508 -4.077 -7.874 1.00 0.64 C ATOM 0 H PHE A 100 13.783 -4.741 -8.269 1.00 0.54 H new ATOM 0 HA PHE A 100 12.325 -7.272 -8.164 1.00 0.51 H new ATOM 0 HB2 PHE A 100 12.639 -4.990 -10.156 1.00 0.50 H new ATOM 0 HB3 PHE A 100 11.743 -6.451 -10.522 1.00 0.50 H new ATOM 0 HD1 PHE A 100 11.885 -3.647 -8.015 1.00 1.55 H new ATOM 0 HD2 PHE A 100 9.445 -6.611 -9.960 1.00 1.33 H new ATOM 0 HE1 PHE A 100 9.873 -2.729 -6.893 1.00 1.54 H new ATOM 0 HE2 PHE A 100 7.416 -5.562 -8.991 1.00 1.37 H new ATOM 0 HZ PHE A 100 7.626 -3.649 -7.421 1.00 0.64 H new ATOM 1674 N SER A 101 15.209 -7.568 -9.010 1.00 0.69 N ATOM 1675 CA SER A 101 16.281 -8.286 -9.723 1.00 0.83 C ATOM 1676 C SER A 101 16.078 -9.817 -9.752 1.00 0.84 C ATOM 1677 O SER A 101 16.578 -10.480 -10.664 1.00 1.03 O ATOM 1678 CB SER A 101 17.647 -7.887 -9.137 1.00 0.97 C ATOM 1679 OG SER A 101 18.740 -8.422 -9.875 1.00 1.15 O ATOM 0 H SER A 101 15.512 -7.141 -8.135 1.00 0.69 H new ATOM 0 HA SER A 101 16.245 -7.983 -10.769 1.00 0.83 H new ATOM 0 HB2 SER A 101 17.725 -6.800 -9.117 1.00 0.97 H new ATOM 0 HB3 SER A 101 17.709 -8.230 -8.104 1.00 0.97 H new ATOM 0 HG SER A 101 19.583 -8.138 -9.463 1.00 1.15 H new ATOM 1685 N GLU A 102 15.297 -10.384 -8.821 1.00 0.71 N ATOM 1686 CA GLU A 102 14.732 -11.739 -8.945 1.00 0.72 C ATOM 1687 C GLU A 102 13.312 -11.697 -9.543 1.00 0.67 C ATOM 1688 O GLU A 102 13.000 -12.467 -10.453 1.00 0.76 O ATOM 1689 CB GLU A 102 14.743 -12.444 -7.579 1.00 0.76 C ATOM 1690 CG GLU A 102 14.460 -13.948 -7.718 1.00 1.59 C ATOM 1691 CD GLU A 102 14.529 -14.684 -6.370 1.00 1.84 C ATOM 1692 OE1 GLU A 102 15.591 -14.644 -5.703 1.00 2.55 O ATOM 1693 OE2 GLU A 102 13.528 -15.331 -5.979 1.00 2.74 O ATOM 0 H GLU A 102 15.037 -9.913 -7.954 1.00 0.71 H new ATOM 0 HA GLU A 102 15.355 -12.312 -9.632 1.00 0.72 H new ATOM 0 HB2 GLU A 102 15.712 -12.298 -7.101 1.00 0.76 H new ATOM 0 HB3 GLU A 102 13.995 -11.991 -6.929 1.00 0.76 H new ATOM 0 HG2 GLU A 102 13.472 -14.090 -8.156 1.00 1.59 H new ATOM 0 HG3 GLU A 102 15.181 -14.389 -8.407 1.00 1.59 H new ATOM 1700 N ALA A 103 12.465 -10.761 -9.093 1.00 0.59 N ATOM 1701 CA ALA A 103 11.095 -10.540 -9.578 1.00 0.55 C ATOM 1702 C ALA A 103 11.032 -9.846 -10.960 1.00 0.56 C ATOM 1703 O ALA A 103 10.205 -8.969 -11.207 1.00 0.58 O ATOM 1704 CB ALA A 103 10.309 -9.812 -8.474 1.00 0.52 C ATOM 0 H ALA A 103 12.726 -10.111 -8.351 1.00 0.59 H new ATOM 0 HA ALA A 103 10.621 -11.502 -9.771 1.00 0.55 H new ATOM 0 HB1 ALA A 103 9.287 -9.636 -8.810 1.00 0.52 H new ATOM 0 HB2 ALA A 103 10.294 -10.426 -7.573 1.00 0.52 H new ATOM 0 HB3 ALA A 103 10.788 -8.858 -8.255 1.00 0.52 H new ATOM 1710 N GLN A 104 11.891 -10.266 -11.889 1.00 0.57 N ATOM 1711 CA GLN A 104 11.911 -9.807 -13.279 1.00 0.56 C ATOM 1712 C GLN A 104 10.583 -10.055 -14.032 1.00 0.56 C ATOM 1713 O GLN A 104 10.154 -9.130 -14.729 1.00 0.55 O ATOM 1714 CB GLN A 104 13.098 -10.444 -14.025 1.00 0.62 C ATOM 1715 CG GLN A 104 14.461 -10.063 -13.414 1.00 0.79 C ATOM 1716 CD GLN A 104 15.649 -10.686 -14.157 1.00 0.86 C ATOM 1717 OE1 GLN A 104 15.651 -10.868 -15.371 1.00 0.87 O ATOM 1718 NE2 GLN A 104 16.709 -11.043 -13.463 1.00 1.23 N ATOM 0 H GLN A 104 12.615 -10.956 -11.689 1.00 0.57 H new ATOM 0 HA GLN A 104 12.035 -8.724 -13.252 1.00 0.56 H new ATOM 0 HB2 GLN A 104 12.990 -11.529 -14.012 1.00 0.62 H new ATOM 0 HB3 GLN A 104 13.074 -10.134 -15.070 1.00 0.62 H new ATOM 0 HG2 GLN A 104 14.565 -8.978 -13.421 1.00 0.79 H new ATOM 0 HG3 GLN A 104 14.486 -10.379 -12.371 1.00 0.79 H new ATOM 0 HE21 GLN A 104 16.729 -10.901 -12.453 1.00 1.23 H new ATOM 0 HE22 GLN A 104 17.510 -11.462 -13.935 1.00 1.23 H new ATOM 1727 N PRO A 105 9.883 -11.210 -13.895 1.00 0.59 N ATOM 1728 CA PRO A 105 8.590 -11.413 -14.553 1.00 0.61 C ATOM 1729 C PRO A 105 7.451 -10.618 -13.900 1.00 0.61 C ATOM 1730 O PRO A 105 6.399 -10.461 -14.520 1.00 0.62 O ATOM 1731 CB PRO A 105 8.346 -12.925 -14.531 1.00 0.69 C ATOM 1732 CG PRO A 105 9.073 -13.385 -13.272 1.00 0.72 C ATOM 1733 CD PRO A 105 10.262 -12.433 -13.181 1.00 0.63 C ATOM 0 HA PRO A 105 8.612 -11.033 -15.574 1.00 0.61 H new ATOM 0 HB2 PRO A 105 7.282 -13.159 -14.488 1.00 0.69 H new ATOM 0 HB3 PRO A 105 8.743 -13.409 -15.423 1.00 0.69 H new ATOM 0 HG2 PRO A 105 8.434 -13.315 -12.391 1.00 0.72 H new ATOM 0 HG3 PRO A 105 9.395 -14.423 -13.351 1.00 0.72 H new ATOM 0 HD2 PRO A 105 10.503 -12.214 -12.141 1.00 0.63 H new ATOM 0 HD3 PRO A 105 11.150 -12.881 -13.626 1.00 0.63 H new ATOM 1741 N LEU A 106 7.659 -10.073 -12.692 1.00 0.62 N ATOM 1742 CA LEU A 106 6.755 -9.107 -12.069 1.00 0.60 C ATOM 1743 C LEU A 106 6.984 -7.718 -12.668 1.00 0.49 C ATOM 1744 O LEU A 106 6.039 -7.091 -13.137 1.00 0.44 O ATOM 1745 CB LEU A 106 6.993 -9.135 -10.540 1.00 0.69 C ATOM 1746 CG LEU A 106 5.878 -8.546 -9.658 1.00 0.60 C ATOM 1747 CD1 LEU A 106 4.683 -9.499 -9.537 1.00 1.46 C ATOM 1748 CD2 LEU A 106 6.407 -8.311 -8.234 1.00 1.37 C ATOM 0 H LEU A 106 8.471 -10.297 -12.117 1.00 0.62 H new ATOM 0 HA LEU A 106 5.714 -9.366 -12.261 1.00 0.60 H new ATOM 0 HB2 LEU A 106 7.154 -10.170 -10.239 1.00 0.69 H new ATOM 0 HB3 LEU A 106 7.916 -8.594 -10.329 1.00 0.69 H new ATOM 0 HG LEU A 106 5.562 -7.616 -10.130 1.00 0.60 H new ATOM 0 HD11 LEU A 106 3.918 -9.045 -8.906 1.00 1.46 H new ATOM 0 HD12 LEU A 106 4.270 -9.692 -10.527 1.00 1.46 H new ATOM 0 HD13 LEU A 106 5.010 -10.438 -9.092 1.00 1.46 H new ATOM 0 HD21 LEU A 106 5.613 -7.894 -7.615 1.00 1.37 H new ATOM 0 HD22 LEU A 106 6.739 -9.258 -7.808 1.00 1.37 H new ATOM 0 HD23 LEU A 106 7.245 -7.614 -8.267 1.00 1.37 H new ATOM 1760 N TRP A 107 8.240 -7.266 -12.718 1.00 0.51 N ATOM 1761 CA TRP A 107 8.625 -5.953 -13.239 1.00 0.48 C ATOM 1762 C TRP A 107 8.306 -5.810 -14.729 1.00 0.45 C ATOM 1763 O TRP A 107 7.746 -4.795 -15.128 1.00 0.41 O ATOM 1764 CB TRP A 107 10.118 -5.735 -12.962 1.00 0.63 C ATOM 1765 CG TRP A 107 10.770 -4.461 -13.428 1.00 0.65 C ATOM 1766 CD1 TRP A 107 12.091 -4.358 -13.704 1.00 0.78 C ATOM 1767 CD2 TRP A 107 10.218 -3.116 -13.654 1.00 0.99 C ATOM 1768 NE1 TRP A 107 12.390 -3.078 -14.114 1.00 1.07 N ATOM 1769 CE2 TRP A 107 11.268 -2.287 -14.159 1.00 1.19 C ATOM 1770 CE3 TRP A 107 8.954 -2.496 -13.501 1.00 1.37 C ATOM 1771 CZ2 TRP A 107 11.062 -0.962 -14.568 1.00 1.63 C ATOM 1772 CZ3 TRP A 107 8.737 -1.163 -13.900 1.00 1.78 C ATOM 1773 CH2 TRP A 107 9.782 -0.404 -14.456 1.00 1.88 C ATOM 0 H TRP A 107 9.034 -7.815 -12.390 1.00 0.51 H new ATOM 0 HA TRP A 107 8.042 -5.185 -12.731 1.00 0.48 H new ATOM 0 HB2 TRP A 107 10.266 -5.805 -11.884 1.00 0.63 H new ATOM 0 HB3 TRP A 107 10.661 -6.566 -13.413 1.00 0.63 H new ATOM 0 HD1 TRP A 107 12.806 -5.162 -13.616 1.00 0.78 H new ATOM 0 HE1 TRP A 107 13.328 -2.757 -14.354 1.00 1.07 H new ATOM 0 HE3 TRP A 107 8.139 -3.058 -13.069 1.00 1.37 H new ATOM 0 HZ2 TRP A 107 11.880 -0.379 -14.964 1.00 1.63 H new ATOM 0 HZ3 TRP A 107 7.760 -0.720 -13.778 1.00 1.78 H new ATOM 0 HH2 TRP A 107 9.599 0.605 -14.795 1.00 1.88 H new ATOM 1784 N GLU A 108 8.597 -6.825 -15.546 1.00 0.53 N ATOM 1785 CA GLU A 108 8.379 -6.744 -16.993 1.00 0.58 C ATOM 1786 C GLU A 108 6.883 -6.667 -17.328 1.00 0.53 C ATOM 1787 O GLU A 108 6.464 -5.866 -18.168 1.00 0.54 O ATOM 1788 CB GLU A 108 9.051 -7.946 -17.685 1.00 0.71 C ATOM 1789 CG GLU A 108 9.022 -7.908 -19.225 1.00 0.87 C ATOM 1790 CD GLU A 108 9.986 -6.897 -19.876 1.00 1.91 C ATOM 1791 OE1 GLU A 108 10.248 -5.809 -19.312 1.00 3.61 O ATOM 1792 OE2 GLU A 108 10.474 -7.178 -20.996 1.00 2.18 O ATOM 0 H GLU A 108 8.985 -7.714 -15.230 1.00 0.53 H new ATOM 0 HA GLU A 108 8.834 -5.827 -17.367 1.00 0.58 H new ATOM 0 HB2 GLU A 108 10.089 -8.002 -17.357 1.00 0.71 H new ATOM 0 HB3 GLU A 108 8.561 -8.860 -17.349 1.00 0.71 H new ATOM 0 HG2 GLU A 108 9.257 -8.904 -19.601 1.00 0.87 H new ATOM 0 HG3 GLU A 108 8.007 -7.677 -19.547 1.00 0.87 H new ATOM 1799 N ALA A 109 6.058 -7.468 -16.647 1.00 0.52 N ATOM 1800 CA ALA A 109 4.607 -7.412 -16.790 1.00 0.50 C ATOM 1801 C ALA A 109 4.014 -6.097 -16.258 1.00 0.44 C ATOM 1802 O ALA A 109 3.174 -5.481 -16.915 1.00 0.46 O ATOM 1803 CB ALA A 109 4.041 -8.653 -16.123 1.00 0.50 C ATOM 0 H ALA A 109 6.381 -8.172 -15.983 1.00 0.52 H new ATOM 0 HA ALA A 109 4.326 -7.411 -17.843 1.00 0.50 H new ATOM 0 HB1 ALA A 109 2.954 -8.649 -16.209 1.00 0.50 H new ATOM 0 HB2 ALA A 109 4.440 -9.542 -16.611 1.00 0.50 H new ATOM 0 HB3 ALA A 109 4.322 -8.660 -15.070 1.00 0.50 H new ATOM 1809 N ALA A 110 4.466 -5.628 -15.096 1.00 0.40 N ATOM 1810 CA ALA A 110 4.015 -4.377 -14.488 1.00 0.37 C ATOM 1811 C ALA A 110 4.344 -3.155 -15.367 1.00 0.39 C ATOM 1812 O ALA A 110 3.468 -2.329 -15.630 1.00 0.42 O ATOM 1813 CB ALA A 110 4.665 -4.310 -13.104 1.00 0.36 C ATOM 0 H ALA A 110 5.169 -6.116 -14.540 1.00 0.40 H new ATOM 0 HA ALA A 110 2.929 -4.356 -14.394 1.00 0.37 H new ATOM 0 HB1 ALA A 110 4.361 -3.391 -12.603 1.00 0.36 H new ATOM 0 HB2 ALA A 110 4.348 -5.168 -12.511 1.00 0.36 H new ATOM 0 HB3 ALA A 110 5.750 -4.323 -13.210 1.00 0.36 H new ATOM 1819 N ARG A 111 5.570 -3.103 -15.898 1.00 0.41 N ATOM 1820 CA ARG A 111 6.052 -2.123 -16.881 1.00 0.45 C ATOM 1821 C ARG A 111 5.132 -2.045 -18.105 1.00 0.46 C ATOM 1822 O ARG A 111 4.781 -0.949 -18.545 1.00 0.51 O ATOM 1823 CB ARG A 111 7.485 -2.542 -17.273 1.00 0.54 C ATOM 1824 CG ARG A 111 8.157 -1.747 -18.404 1.00 0.83 C ATOM 1825 CD ARG A 111 9.422 -2.494 -18.852 1.00 1.34 C ATOM 1826 NE ARG A 111 10.073 -1.824 -19.991 1.00 2.34 N ATOM 1827 CZ ARG A 111 10.742 -2.413 -20.980 1.00 2.98 C ATOM 1828 NH1 ARG A 111 10.935 -3.715 -21.036 1.00 3.12 N ATOM 1829 NH2 ARG A 111 11.239 -1.680 -21.952 1.00 4.11 N ATOM 0 H ARG A 111 6.291 -3.777 -15.642 1.00 0.41 H new ATOM 0 HA ARG A 111 6.052 -1.122 -16.449 1.00 0.45 H new ATOM 0 HB2 ARG A 111 8.115 -2.468 -16.386 1.00 0.54 H new ATOM 0 HB3 ARG A 111 7.464 -3.593 -17.563 1.00 0.54 H new ATOM 0 HG2 ARG A 111 7.471 -1.631 -19.243 1.00 0.83 H new ATOM 0 HG3 ARG A 111 8.413 -0.745 -18.060 1.00 0.83 H new ATOM 0 HD2 ARG A 111 10.122 -2.558 -18.019 1.00 1.34 H new ATOM 0 HD3 ARG A 111 9.163 -3.516 -19.130 1.00 1.34 H new ATOM 0 HE ARG A 111 10.004 -0.807 -20.025 1.00 2.34 H new ATOM 0 HH11 ARG A 111 10.565 -4.318 -20.301 1.00 3.12 H new ATOM 0 HH12 ARG A 111 11.454 -4.121 -21.815 1.00 3.12 H new ATOM 0 HH21 ARG A 111 11.111 -0.668 -21.944 1.00 4.11 H new ATOM 0 HH22 ARG A 111 11.753 -2.123 -22.713 1.00 4.11 H new ATOM 1843 N ALA A 112 4.711 -3.201 -18.626 1.00 0.45 N ATOM 1844 CA ALA A 112 3.809 -3.305 -19.773 1.00 0.48 C ATOM 1845 C ALA A 112 2.389 -2.810 -19.449 1.00 0.47 C ATOM 1846 O ALA A 112 1.782 -2.093 -20.243 1.00 0.51 O ATOM 1847 CB ALA A 112 3.796 -4.771 -20.225 1.00 0.50 C ATOM 0 H ALA A 112 4.994 -4.108 -18.254 1.00 0.45 H new ATOM 0 HA ALA A 112 4.170 -2.661 -20.575 1.00 0.48 H new ATOM 0 HB1 ALA A 112 3.131 -4.882 -21.081 1.00 0.50 H new ATOM 0 HB2 ALA A 112 4.804 -5.074 -20.507 1.00 0.50 H new ATOM 0 HB3 ALA A 112 3.444 -5.401 -19.408 1.00 0.50 H new ATOM 1853 N HIS A 113 1.859 -3.189 -18.287 1.00 0.44 N ATOM 1854 CA HIS A 113 0.530 -2.784 -17.808 1.00 0.47 C ATOM 1855 C HIS A 113 0.414 -1.304 -17.351 1.00 0.50 C ATOM 1856 O HIS A 113 -0.698 -0.817 -17.128 1.00 0.56 O ATOM 1857 CB HIS A 113 0.065 -3.798 -16.758 1.00 0.48 C ATOM 1858 CG HIS A 113 -0.280 -5.132 -17.377 1.00 0.52 C ATOM 1859 ND1 HIS A 113 0.533 -6.237 -17.437 1.00 0.55 N ATOM 1860 CD2 HIS A 113 -1.455 -5.469 -17.996 1.00 0.58 C ATOM 1861 CE1 HIS A 113 -0.125 -7.214 -18.078 1.00 0.62 C ATOM 1862 NE2 HIS A 113 -1.349 -6.792 -18.444 1.00 0.64 N ATOM 0 H HIS A 113 2.350 -3.800 -17.634 1.00 0.44 H new ATOM 0 HA HIS A 113 -0.153 -2.804 -18.657 1.00 0.47 H new ATOM 0 HB2 HIS A 113 0.849 -3.935 -16.014 1.00 0.48 H new ATOM 0 HB3 HIS A 113 -0.806 -3.405 -16.234 1.00 0.48 H new ATOM 0 HD1 HIS A 113 1.478 -6.303 -17.058 1.00 0.55 H new ATOM 0 HD2 HIS A 113 -2.314 -4.826 -18.117 1.00 0.58 H new ATOM 0 HE1 HIS A 113 0.271 -8.200 -18.273 1.00 0.62 H new ATOM 1870 N GLY A 114 1.540 -0.585 -17.203 1.00 0.49 N ATOM 1871 CA GLY A 114 1.586 0.860 -16.897 1.00 0.54 C ATOM 1872 C GLY A 114 2.052 1.216 -15.477 1.00 0.57 C ATOM 1873 O GLY A 114 2.168 2.398 -15.148 1.00 0.66 O ATOM 0 H GLY A 114 2.467 -1.000 -17.295 1.00 0.49 H new ATOM 0 HA2 GLY A 114 2.251 1.345 -17.612 1.00 0.54 H new ATOM 0 HA3 GLY A 114 0.592 1.279 -17.051 1.00 0.54 H new ATOM 1877 N LEU A 115 2.386 0.216 -14.657 1.00 0.53 N ATOM 1878 CA LEU A 115 2.886 0.340 -13.287 1.00 0.55 C ATOM 1879 C LEU A 115 4.401 0.652 -13.317 1.00 0.61 C ATOM 1880 O LEU A 115 5.235 -0.134 -12.865 1.00 1.01 O ATOM 1881 CB LEU A 115 2.560 -0.962 -12.523 1.00 0.53 C ATOM 1882 CG LEU A 115 1.078 -1.348 -12.303 1.00 0.56 C ATOM 1883 CD1 LEU A 115 0.286 -1.696 -13.575 1.00 0.87 C ATOM 1884 CD2 LEU A 115 1.064 -2.586 -11.392 1.00 1.08 C ATOM 0 H LEU A 115 2.310 -0.758 -14.950 1.00 0.53 H new ATOM 0 HA LEU A 115 2.402 1.164 -12.764 1.00 0.55 H new ATOM 0 HB2 LEU A 115 3.040 -1.784 -13.054 1.00 0.53 H new ATOM 0 HB3 LEU A 115 3.033 -0.896 -11.543 1.00 0.53 H new ATOM 0 HG LEU A 115 0.591 -0.469 -11.880 1.00 0.56 H new ATOM 0 HD11 LEU A 115 -0.739 -1.951 -13.307 1.00 0.87 H new ATOM 0 HD12 LEU A 115 0.282 -0.838 -14.247 1.00 0.87 H new ATOM 0 HD13 LEU A 115 0.753 -2.546 -14.073 1.00 0.87 H new ATOM 0 HD21 LEU A 115 0.034 -2.893 -11.211 1.00 1.08 H new ATOM 0 HD22 LEU A 115 1.605 -3.399 -11.875 1.00 1.08 H new ATOM 0 HD23 LEU A 115 1.543 -2.345 -10.443 1.00 1.08 H new ATOM 1896 N ARG A 116 4.764 1.778 -13.942 1.00 0.58 N ATOM 1897 CA ARG A 116 6.124 2.080 -14.428 1.00 0.58 C ATOM 1898 C ARG A 116 7.157 2.402 -13.337 1.00 0.57 C ATOM 1899 O ARG A 116 8.347 2.360 -13.627 1.00 0.84 O ATOM 1900 CB ARG A 116 6.058 3.180 -15.484 1.00 0.77 C ATOM 1901 CG ARG A 116 5.250 2.651 -16.684 1.00 1.12 C ATOM 1902 CD ARG A 116 5.742 3.223 -18.002 1.00 1.20 C ATOM 1903 NE ARG A 116 5.119 4.530 -18.272 1.00 1.86 N ATOM 1904 CZ ARG A 116 3.982 4.749 -18.923 1.00 2.63 C ATOM 1905 NH1 ARG A 116 3.280 3.774 -19.465 1.00 3.36 N ATOM 1906 NH2 ARG A 116 3.525 5.977 -19.024 1.00 3.44 N ATOM 0 H ARG A 116 4.102 2.530 -14.132 1.00 0.58 H new ATOM 0 HA ARG A 116 6.497 1.156 -14.870 1.00 0.58 H new ATOM 0 HB2 ARG A 116 5.587 4.073 -15.073 1.00 0.77 H new ATOM 0 HB3 ARG A 116 7.062 3.465 -15.798 1.00 0.77 H new ATOM 0 HG2 ARG A 116 5.317 1.563 -16.714 1.00 1.12 H new ATOM 0 HG3 ARG A 116 4.198 2.902 -16.551 1.00 1.12 H new ATOM 0 HD2 ARG A 116 6.826 3.331 -17.974 1.00 1.20 H new ATOM 0 HD3 ARG A 116 5.511 2.531 -18.812 1.00 1.20 H new ATOM 0 HE ARG A 116 5.612 5.352 -17.923 1.00 1.86 H new ATOM 0 HH11 ARG A 116 3.605 2.810 -19.392 1.00 3.36 H new ATOM 0 HH12 ARG A 116 2.411 3.983 -19.957 1.00 3.36 H new ATOM 0 HH21 ARG A 116 4.042 6.750 -18.605 1.00 3.44 H new ATOM 0 HH22 ARG A 116 2.653 6.157 -19.522 1.00 3.44 H new ATOM 1920 N ARG A 117 6.714 2.672 -12.108 1.00 0.50 N ATOM 1921 CA ARG A 117 7.421 2.632 -10.809 1.00 0.43 C ATOM 1922 C ARG A 117 6.347 2.641 -9.709 1.00 0.48 C ATOM 1923 O ARG A 117 5.154 2.747 -10.005 1.00 0.66 O ATOM 1924 CB ARG A 117 8.432 3.785 -10.578 1.00 0.51 C ATOM 1925 CG ARG A 117 9.742 3.841 -11.384 1.00 0.56 C ATOM 1926 CD ARG A 117 10.497 2.532 -11.677 1.00 0.62 C ATOM 1927 NE ARG A 117 11.839 2.489 -11.063 1.00 0.94 N ATOM 1928 CZ ARG A 117 12.909 1.913 -11.606 1.00 1.43 C ATOM 1929 NH1 ARG A 117 12.838 1.144 -12.668 1.00 2.19 N ATOM 1930 NH2 ARG A 117 14.106 2.080 -11.095 1.00 1.82 N ATOM 0 H ARG A 117 5.744 2.957 -11.975 1.00 0.50 H new ATOM 0 HA ARG A 117 8.031 1.729 -10.793 1.00 0.43 H new ATOM 0 HB2 ARG A 117 7.902 4.720 -10.758 1.00 0.51 H new ATOM 0 HB3 ARG A 117 8.703 3.770 -9.522 1.00 0.51 H new ATOM 0 HG2 ARG A 117 9.519 4.313 -12.341 1.00 0.56 H new ATOM 0 HG3 ARG A 117 10.426 4.503 -10.854 1.00 0.56 H new ATOM 0 HD2 ARG A 117 9.909 1.690 -11.311 1.00 0.62 H new ATOM 0 HD3 ARG A 117 10.593 2.408 -12.756 1.00 0.62 H new ATOM 0 HE ARG A 117 11.955 2.935 -10.153 1.00 0.94 H new ATOM 0 HH11 ARG A 117 11.936 0.968 -13.111 1.00 2.19 H new ATOM 0 HH12 ARG A 117 13.685 0.723 -13.050 1.00 2.19 H new ATOM 0 HH21 ARG A 117 14.230 2.661 -10.266 1.00 1.82 H new ATOM 0 HH22 ARG A 117 14.912 1.629 -11.527 1.00 1.82 H new ATOM 1944 N GLY A 118 6.748 2.521 -8.445 1.00 0.41 N ATOM 1945 CA GLY A 118 5.822 2.562 -7.314 1.00 0.43 C ATOM 1946 C GLY A 118 6.467 2.783 -5.953 1.00 0.42 C ATOM 1947 O GLY A 118 7.683 2.936 -5.827 1.00 0.47 O ATOM 0 H GLY A 118 7.723 2.393 -8.176 1.00 0.41 H new ATOM 0 HA2 GLY A 118 5.097 3.357 -7.488 1.00 0.43 H new ATOM 0 HA3 GLY A 118 5.266 1.625 -7.286 1.00 0.43 H new ATOM 1951 N VAL A 119 5.598 2.852 -4.949 1.00 0.42 N ATOM 1952 CA VAL A 119 5.877 3.298 -3.573 1.00 0.49 C ATOM 1953 C VAL A 119 5.140 2.342 -2.619 1.00 0.39 C ATOM 1954 O VAL A 119 4.014 1.970 -2.944 1.00 0.42 O ATOM 1955 CB VAL A 119 5.440 4.785 -3.387 1.00 0.72 C ATOM 1956 CG1 VAL A 119 5.772 5.676 -4.604 1.00 1.39 C ATOM 1957 CG2 VAL A 119 3.940 4.966 -3.102 1.00 0.90 C ATOM 0 H VAL A 119 4.622 2.584 -5.073 1.00 0.42 H new ATOM 0 HA VAL A 119 6.944 3.266 -3.354 1.00 0.49 H new ATOM 0 HB VAL A 119 6.019 5.096 -2.517 1.00 0.72 H new ATOM 0 HG11 VAL A 119 5.442 6.696 -4.409 1.00 1.39 H new ATOM 0 HG12 VAL A 119 6.848 5.670 -4.777 1.00 1.39 H new ATOM 0 HG13 VAL A 119 5.261 5.292 -5.487 1.00 1.39 H new ATOM 0 HG21 VAL A 119 3.717 6.027 -2.985 1.00 0.90 H new ATOM 0 HG22 VAL A 119 3.361 4.563 -3.932 1.00 0.90 H new ATOM 0 HG23 VAL A 119 3.677 4.437 -2.186 1.00 0.90 H new ATOM 1967 N THR A 120 5.734 1.878 -1.503 1.00 0.41 N ATOM 1968 CA THR A 120 5.161 0.763 -0.707 1.00 0.36 C ATOM 1969 C THR A 120 5.414 0.881 0.797 1.00 0.37 C ATOM 1970 O THR A 120 6.477 1.330 1.231 1.00 0.44 O ATOM 1971 CB THR A 120 5.727 -0.570 -1.213 1.00 0.35 C ATOM 1972 OG1 THR A 120 5.540 -0.688 -2.602 1.00 0.42 O ATOM 1973 CG2 THR A 120 5.065 -1.797 -0.594 1.00 0.62 C ATOM 0 H THR A 120 6.606 2.252 -1.129 1.00 0.41 H new ATOM 0 HA THR A 120 4.081 0.811 -0.845 1.00 0.36 H new ATOM 0 HB THR A 120 6.779 -0.548 -0.930 1.00 0.35 H new ATOM 0 HG1 THR A 120 5.119 -1.550 -2.803 1.00 0.42 H new ATOM 0 HG21 THR A 120 5.519 -2.700 -1.002 1.00 0.62 H new ATOM 0 HG22 THR A 120 5.202 -1.778 0.487 1.00 0.62 H new ATOM 0 HG23 THR A 120 4.000 -1.791 -0.825 1.00 0.62 H new ATOM 1981 N GLN A 121 4.457 0.418 1.609 1.00 0.38 N ATOM 1982 CA GLN A 121 4.525 0.428 3.073 1.00 0.43 C ATOM 1983 C GLN A 121 3.933 -0.833 3.729 1.00 0.49 C ATOM 1984 O GLN A 121 3.221 -1.616 3.102 1.00 0.66 O ATOM 1985 CB GLN A 121 3.774 1.636 3.649 1.00 0.59 C ATOM 1986 CG GLN A 121 4.115 3.018 3.090 1.00 1.46 C ATOM 1987 CD GLN A 121 3.129 3.434 2.003 1.00 4.02 C ATOM 1988 OE1 GLN A 121 3.096 2.897 0.910 1.00 5.27 O ATOM 1989 NE2 GLN A 121 2.267 4.389 2.267 1.00 5.46 N ATOM 0 H GLN A 121 3.590 0.015 1.255 1.00 0.38 H new ATOM 0 HA GLN A 121 5.590 0.473 3.302 1.00 0.43 H new ATOM 0 HB2 GLN A 121 2.707 1.469 3.502 1.00 0.59 H new ATOM 0 HB3 GLN A 121 3.948 1.657 4.725 1.00 0.59 H new ATOM 0 HG2 GLN A 121 4.102 3.752 3.896 1.00 1.46 H new ATOM 0 HG3 GLN A 121 5.126 3.009 2.683 1.00 1.46 H new ATOM 0 HE21 GLN A 121 2.279 4.850 3.177 1.00 5.46 H new ATOM 0 HE22 GLN A 121 1.585 4.670 1.562 1.00 5.46 H new ATOM 1998 N TYR A 122 4.202 -0.968 5.032 1.00 0.55 N ATOM 1999 CA TYR A 122 3.842 -2.072 5.935 1.00 0.56 C ATOM 2000 C TYR A 122 3.604 -1.545 7.369 1.00 0.67 C ATOM 2001 O TYR A 122 4.176 -0.520 7.753 1.00 0.83 O ATOM 2002 CB TYR A 122 5.023 -3.057 5.904 1.00 0.57 C ATOM 2003 CG TYR A 122 5.275 -3.906 7.134 1.00 0.60 C ATOM 2004 CD1 TYR A 122 4.403 -4.954 7.487 1.00 2.15 C ATOM 2005 CD2 TYR A 122 6.407 -3.641 7.928 1.00 1.88 C ATOM 2006 CE1 TYR A 122 4.679 -5.745 8.617 1.00 2.19 C ATOM 2007 CE2 TYR A 122 6.696 -4.435 9.051 1.00 1.95 C ATOM 2008 CZ TYR A 122 5.839 -5.504 9.390 1.00 0.88 C ATOM 2009 OH TYR A 122 6.141 -6.306 10.449 1.00 1.06 O ATOM 0 H TYR A 122 4.723 -0.245 5.528 1.00 0.55 H new ATOM 0 HA TYR A 122 2.918 -2.557 5.619 1.00 0.56 H new ATOM 0 HB2 TYR A 122 4.875 -3.729 5.059 1.00 0.57 H new ATOM 0 HB3 TYR A 122 5.929 -2.486 5.702 1.00 0.57 H new ATOM 0 HD1 TYR A 122 3.524 -5.150 6.891 1.00 2.15 H new ATOM 0 HD2 TYR A 122 7.060 -2.820 7.672 1.00 1.88 H new ATOM 0 HE1 TYR A 122 4.003 -6.540 8.896 1.00 2.19 H new ATOM 0 HE2 TYR A 122 7.569 -4.228 9.652 1.00 1.95 H new ATOM 0 HH TYR A 122 6.972 -5.998 10.866 1.00 1.06 H new ATOM 2019 N LEU A 123 2.823 -2.267 8.188 1.00 0.71 N ATOM 2020 CA LEU A 123 2.770 -2.074 9.646 1.00 0.81 C ATOM 2021 C LEU A 123 2.483 -3.393 10.387 1.00 0.89 C ATOM 2022 O LEU A 123 1.818 -4.282 9.855 1.00 1.09 O ATOM 2023 CB LEU A 123 1.710 -1.010 10.011 1.00 1.10 C ATOM 2024 CG LEU A 123 2.069 -0.171 11.256 1.00 1.24 C ATOM 2025 CD1 LEU A 123 3.051 0.954 10.895 1.00 1.41 C ATOM 2026 CD2 LEU A 123 0.798 0.429 11.873 1.00 2.60 C ATOM 0 H LEU A 123 2.206 -3.007 7.854 1.00 0.71 H new ATOM 0 HA LEU A 123 3.751 -1.723 9.967 1.00 0.81 H new ATOM 0 HB2 LEU A 123 1.573 -0.341 9.161 1.00 1.10 H new ATOM 0 HB3 LEU A 123 0.755 -1.507 10.183 1.00 1.10 H new ATOM 0 HG LEU A 123 2.547 -0.829 11.982 1.00 1.24 H new ATOM 0 HD11 LEU A 123 3.288 1.531 11.789 1.00 1.41 H new ATOM 0 HD12 LEU A 123 3.965 0.522 10.488 1.00 1.41 H new ATOM 0 HD13 LEU A 123 2.597 1.609 10.151 1.00 1.41 H new ATOM 0 HD21 LEU A 123 1.063 1.019 12.751 1.00 2.60 H new ATOM 0 HD22 LEU A 123 0.305 1.069 11.141 1.00 2.60 H new ATOM 0 HD23 LEU A 123 0.122 -0.374 12.166 1.00 2.60 H new ATOM 2038 N MET A 124 2.943 -3.476 11.640 1.00 0.86 N ATOM 2039 CA MET A 124 2.660 -4.549 12.607 1.00 0.89 C ATOM 2040 C MET A 124 1.906 -3.963 13.815 1.00 0.93 C ATOM 2041 O MET A 124 2.180 -2.827 14.215 1.00 0.99 O ATOM 2042 CB MET A 124 3.994 -5.185 13.047 1.00 0.91 C ATOM 2043 CG MET A 124 3.934 -6.706 13.242 1.00 1.11 C ATOM 2044 SD MET A 124 2.889 -7.324 14.588 1.00 1.53 S ATOM 2045 CE MET A 124 1.563 -8.100 13.626 1.00 1.18 C ATOM 0 H MET A 124 3.556 -2.760 12.030 1.00 0.86 H new ATOM 0 HA MET A 124 2.034 -5.317 12.152 1.00 0.89 H new ATOM 0 HB2 MET A 124 4.756 -4.956 12.302 1.00 0.91 H new ATOM 0 HB3 MET A 124 4.313 -4.723 13.981 1.00 0.91 H new ATOM 0 HG2 MET A 124 3.586 -7.153 12.311 1.00 1.11 H new ATOM 0 HG3 MET A 124 4.949 -7.066 13.409 1.00 1.11 H new ATOM 0 HE1 MET A 124 0.856 -8.580 14.302 1.00 1.18 H new ATOM 0 HE2 MET A 124 1.046 -7.340 13.040 1.00 1.18 H new ATOM 0 HE3 MET A 124 1.989 -8.847 12.956 1.00 1.18 H new ATOM 2055 N LEU A 125 0.961 -4.712 14.396 1.00 1.06 N ATOM 2056 CA LEU A 125 0.114 -4.276 15.515 1.00 1.11 C ATOM 2057 C LEU A 125 -0.043 -5.412 16.548 1.00 1.14 C ATOM 2058 O LEU A 125 -0.277 -6.554 16.137 1.00 1.21 O ATOM 2059 CB LEU A 125 -1.286 -3.852 15.015 1.00 1.30 C ATOM 2060 CG LEU A 125 -1.325 -2.655 14.040 1.00 1.08 C ATOM 2061 CD1 LEU A 125 -1.246 -3.104 12.572 1.00 2.58 C ATOM 2062 CD2 LEU A 125 -2.628 -1.861 14.215 1.00 1.74 C ATOM 0 H LEU A 125 0.758 -5.665 14.093 1.00 1.06 H new ATOM 0 HA LEU A 125 0.600 -3.420 15.984 1.00 1.11 H new ATOM 0 HB2 LEU A 125 -1.750 -4.709 14.526 1.00 1.30 H new ATOM 0 HB3 LEU A 125 -1.901 -3.609 15.882 1.00 1.30 H new ATOM 0 HG LEU A 125 -0.458 -2.037 14.275 1.00 1.08 H new ATOM 0 HD11 LEU A 125 -1.277 -2.230 11.922 1.00 2.58 H new ATOM 0 HD12 LEU A 125 -0.315 -3.646 12.407 1.00 2.58 H new ATOM 0 HD13 LEU A 125 -2.090 -3.755 12.345 1.00 2.58 H new ATOM 0 HD21 LEU A 125 -2.638 -1.021 13.520 1.00 1.74 H new ATOM 0 HD22 LEU A 125 -3.480 -2.510 14.012 1.00 1.74 H new ATOM 0 HD23 LEU A 125 -2.692 -1.487 15.237 1.00 1.74 H new ATOM 2074 N PRO A 126 0.015 -5.132 17.868 1.00 1.21 N ATOM 2075 CA PRO A 126 -0.217 -6.141 18.902 1.00 1.42 C ATOM 2076 C PRO A 126 -1.679 -6.625 18.940 1.00 1.48 C ATOM 2077 O PRO A 126 -1.929 -7.738 19.399 1.00 1.76 O ATOM 2078 CB PRO A 126 0.216 -5.486 20.219 1.00 1.60 C ATOM 2079 CG PRO A 126 0.005 -3.996 19.967 1.00 1.43 C ATOM 2080 CD PRO A 126 0.335 -3.849 18.482 1.00 1.26 C ATOM 0 HA PRO A 126 0.356 -7.046 18.702 1.00 1.42 H new ATOM 0 HB2 PRO A 126 -0.383 -5.839 21.058 1.00 1.60 H new ATOM 0 HB3 PRO A 126 1.257 -5.709 20.454 1.00 1.60 H new ATOM 0 HG2 PRO A 126 -1.018 -3.691 20.185 1.00 1.43 H new ATOM 0 HG3 PRO A 126 0.659 -3.385 20.588 1.00 1.43 H new ATOM 0 HD2 PRO A 126 -0.247 -3.045 18.031 1.00 1.26 H new ATOM 0 HD3 PRO A 126 1.387 -3.600 18.339 1.00 1.26 H new ATOM 2088 N GLU A 127 -2.639 -5.840 18.426 1.00 1.39 N ATOM 2089 CA GLU A 127 -4.049 -6.231 18.291 1.00 1.66 C ATOM 2090 C GLU A 127 -4.294 -7.353 17.260 1.00 1.85 C ATOM 2091 O GLU A 127 -5.333 -8.015 17.359 1.00 2.83 O ATOM 2092 CB GLU A 127 -4.912 -5.019 17.892 1.00 2.01 C ATOM 2093 CG GLU A 127 -5.026 -3.920 18.962 1.00 1.98 C ATOM 2094 CD GLU A 127 -3.842 -2.940 19.035 1.00 2.43 C ATOM 2095 OE1 GLU A 127 -2.887 -3.051 18.233 1.00 3.34 O ATOM 2096 OE2 GLU A 127 -3.875 -2.041 19.907 1.00 3.14 O ATOM 0 H GLU A 127 -2.452 -4.897 18.086 1.00 1.39 H new ATOM 0 HA GLU A 127 -4.332 -6.614 19.272 1.00 1.66 H new ATOM 0 HB2 GLU A 127 -4.497 -4.580 16.985 1.00 2.01 H new ATOM 0 HB3 GLU A 127 -5.914 -5.371 17.646 1.00 2.01 H new ATOM 0 HG2 GLU A 127 -5.936 -3.350 18.776 1.00 1.98 H new ATOM 0 HG3 GLU A 127 -5.141 -4.396 19.936 1.00 1.98 H new ATOM 2103 N ARG A 128 -3.361 -7.542 16.302 1.00 1.49 N ATOM 2104 CA ARG A 128 -3.243 -8.595 15.262 1.00 1.82 C ATOM 2105 C ARG A 128 -3.365 -7.994 13.843 1.00 1.43 C ATOM 2106 O ARG A 128 -2.726 -6.971 13.582 1.00 2.53 O ATOM 2107 CB ARG A 128 -4.112 -9.840 15.550 1.00 2.78 C ATOM 2108 CG ARG A 128 -3.642 -11.145 14.876 1.00 4.07 C ATOM 2109 CD ARG A 128 -4.507 -12.346 15.307 1.00 4.89 C ATOM 2110 NE ARG A 128 -4.577 -12.475 16.775 1.00 5.33 N ATOM 2111 CZ ARG A 128 -3.608 -12.893 17.582 1.00 6.00 C ATOM 2112 NH1 ARG A 128 -2.547 -13.531 17.132 1.00 6.65 N ATOM 2113 NH2 ARG A 128 -3.692 -12.649 18.873 1.00 6.57 N ATOM 0 H ARG A 128 -2.582 -6.887 16.228 1.00 1.49 H new ATOM 0 HA ARG A 128 -2.234 -9.004 15.306 1.00 1.82 H new ATOM 0 HB2 ARG A 128 -4.143 -9.999 16.628 1.00 2.78 H new ATOM 0 HB3 ARG A 128 -5.133 -9.632 15.228 1.00 2.78 H new ATOM 0 HG2 ARG A 128 -3.687 -11.033 13.793 1.00 4.07 H new ATOM 0 HG3 ARG A 128 -2.600 -11.334 15.134 1.00 4.07 H new ATOM 0 HD2 ARG A 128 -5.513 -12.232 14.904 1.00 4.89 H new ATOM 0 HD3 ARG A 128 -4.095 -13.261 14.881 1.00 4.89 H new ATOM 0 HE ARG A 128 -5.460 -12.217 17.216 1.00 5.33 H new ATOM 0 HH11 ARG A 128 -2.450 -13.719 16.134 1.00 6.65 H new ATOM 0 HH12 ARG A 128 -1.823 -13.837 17.781 1.00 6.65 H new ATOM 0 HH21 ARG A 128 -4.496 -12.143 19.245 1.00 6.57 H new ATOM 0 HH22 ARG A 128 -2.953 -12.966 19.501 1.00 6.57 H new ATOM 2127 N ALA A 129 -4.110 -8.626 12.922 1.00 1.82 N ATOM 2128 CA ALA A 129 -4.090 -8.394 11.469 1.00 1.60 C ATOM 2129 C ALA A 129 -2.675 -8.459 10.843 1.00 1.87 C ATOM 2130 O ALA A 129 -1.675 -8.753 11.503 1.00 2.73 O ATOM 2131 CB ALA A 129 -4.802 -7.064 11.155 1.00 1.60 C ATOM 0 H ALA A 129 -4.778 -9.351 13.185 1.00 1.82 H new ATOM 0 HA ALA A 129 -4.632 -9.215 11.000 1.00 1.60 H new ATOM 0 HB1 ALA A 129 -4.789 -6.889 10.079 1.00 1.60 H new ATOM 0 HB2 ALA A 129 -5.834 -7.113 11.502 1.00 1.60 H new ATOM 0 HB3 ALA A 129 -4.287 -6.247 11.661 1.00 1.60 H new ATOM 2137 N LEU A 130 -2.606 -8.116 9.555 1.00 1.48 N ATOM 2138 CA LEU A 130 -1.482 -7.434 8.912 1.00 1.30 C ATOM 2139 C LEU A 130 -2.003 -6.715 7.663 1.00 1.00 C ATOM 2140 O LEU A 130 -3.065 -7.062 7.139 1.00 0.95 O ATOM 2141 CB LEU A 130 -0.330 -8.412 8.585 1.00 1.62 C ATOM 2142 CG LEU A 130 1.093 -7.875 8.826 1.00 0.94 C ATOM 2143 CD1 LEU A 130 1.327 -7.531 10.297 1.00 2.00 C ATOM 2144 CD2 LEU A 130 2.109 -8.962 8.445 1.00 1.85 C ATOM 0 H LEU A 130 -3.365 -8.315 8.904 1.00 1.48 H new ATOM 0 HA LEU A 130 -1.059 -6.700 9.597 1.00 1.30 H new ATOM 0 HB2 LEU A 130 -0.464 -9.314 9.182 1.00 1.62 H new ATOM 0 HB3 LEU A 130 -0.415 -8.707 7.539 1.00 1.62 H new ATOM 0 HG LEU A 130 1.212 -6.975 8.222 1.00 0.94 H new ATOM 0 HD11 LEU A 130 2.342 -7.156 10.426 1.00 2.00 H new ATOM 0 HD12 LEU A 130 0.615 -6.767 10.610 1.00 2.00 H new ATOM 0 HD13 LEU A 130 1.191 -8.425 10.906 1.00 2.00 H new ATOM 0 HD21 LEU A 130 3.120 -8.590 8.613 1.00 1.85 H new ATOM 0 HD22 LEU A 130 1.942 -9.847 9.058 1.00 1.85 H new ATOM 0 HD23 LEU A 130 1.987 -9.221 7.393 1.00 1.85 H new ATOM 2156 N GLY A 131 -1.275 -5.701 7.201 1.00 0.95 N ATOM 2157 CA GLY A 131 -1.668 -4.906 6.040 1.00 0.69 C ATOM 2158 C GLY A 131 -0.523 -4.132 5.400 1.00 0.66 C ATOM 2159 O GLY A 131 0.501 -3.848 6.028 1.00 0.79 O ATOM 0 H GLY A 131 -0.394 -5.407 7.622 1.00 0.95 H new ATOM 0 HA2 GLY A 131 -2.108 -5.567 5.293 1.00 0.69 H new ATOM 0 HA3 GLY A 131 -2.445 -4.203 6.341 1.00 0.69 H new ATOM 2163 N PHE A 132 -0.748 -3.779 4.139 1.00 0.58 N ATOM 2164 CA PHE A 132 0.193 -3.121 3.242 1.00 0.56 C ATOM 2165 C PHE A 132 -0.581 -2.216 2.275 1.00 0.51 C ATOM 2166 O PHE A 132 -1.741 -2.484 1.950 1.00 0.57 O ATOM 2167 CB PHE A 132 0.976 -4.178 2.437 1.00 0.73 C ATOM 2168 CG PHE A 132 1.593 -5.311 3.241 1.00 0.93 C ATOM 2169 CD1 PHE A 132 0.830 -6.451 3.565 1.00 2.05 C ATOM 2170 CD2 PHE A 132 2.936 -5.234 3.653 1.00 2.34 C ATOM 2171 CE1 PHE A 132 1.395 -7.486 4.332 1.00 2.74 C ATOM 2172 CE2 PHE A 132 3.509 -6.280 4.398 1.00 3.11 C ATOM 2173 CZ PHE A 132 2.732 -7.397 4.754 1.00 2.89 C ATOM 0 H PHE A 132 -1.646 -3.956 3.690 1.00 0.58 H new ATOM 0 HA PHE A 132 0.893 -2.525 3.827 1.00 0.56 H new ATOM 0 HB2 PHE A 132 0.305 -4.610 1.695 1.00 0.73 H new ATOM 0 HB3 PHE A 132 1.772 -3.672 1.891 1.00 0.73 H new ATOM 0 HD1 PHE A 132 -0.191 -6.530 3.223 1.00 2.05 H new ATOM 0 HD2 PHE A 132 3.529 -4.369 3.396 1.00 2.34 H new ATOM 0 HE1 PHE A 132 0.801 -8.349 4.596 1.00 2.74 H new ATOM 0 HE2 PHE A 132 4.545 -6.226 4.697 1.00 3.11 H new ATOM 0 HZ PHE A 132 3.163 -8.186 5.352 1.00 2.89 H new ATOM 2183 N LEU A 133 0.084 -1.187 1.751 1.00 0.47 N ATOM 2184 CA LEU A 133 -0.412 -0.421 0.607 1.00 0.43 C ATOM 2185 C LEU A 133 0.719 -0.201 -0.395 1.00 0.46 C ATOM 2186 O LEU A 133 1.893 -0.169 -0.017 1.00 0.52 O ATOM 2187 CB LEU A 133 -1.118 0.873 1.080 1.00 0.47 C ATOM 2188 CG LEU A 133 -0.211 2.084 1.418 1.00 0.67 C ATOM 2189 CD1 LEU A 133 0.127 2.910 0.156 1.00 1.72 C ATOM 2190 CD2 LEU A 133 -0.909 3.010 2.429 1.00 1.29 C ATOM 0 H LEU A 133 0.982 -0.860 2.107 1.00 0.47 H new ATOM 0 HA LEU A 133 -1.180 -0.983 0.076 1.00 0.43 H new ATOM 0 HB2 LEU A 133 -1.819 1.180 0.304 1.00 0.47 H new ATOM 0 HB3 LEU A 133 -1.708 0.634 1.965 1.00 0.47 H new ATOM 0 HG LEU A 133 0.710 1.685 1.842 1.00 0.67 H new ATOM 0 HD11 LEU A 133 0.764 3.751 0.431 1.00 1.72 H new ATOM 0 HD12 LEU A 133 0.649 2.279 -0.563 1.00 1.72 H new ATOM 0 HD13 LEU A 133 -0.794 3.284 -0.291 1.00 1.72 H new ATOM 0 HD21 LEU A 133 -0.260 3.856 2.656 1.00 1.29 H new ATOM 0 HD22 LEU A 133 -1.844 3.375 2.003 1.00 1.29 H new ATOM 0 HD23 LEU A 133 -1.119 2.457 3.345 1.00 1.29 H new ATOM 2202 N SER A 134 0.368 -0.015 -1.663 1.00 0.46 N ATOM 2203 CA SER A 134 1.307 0.485 -2.663 1.00 0.42 C ATOM 2204 C SER A 134 0.612 1.338 -3.733 1.00 0.48 C ATOM 2205 O SER A 134 -0.419 0.941 -4.286 1.00 0.67 O ATOM 2206 CB SER A 134 2.170 -0.655 -3.253 1.00 0.45 C ATOM 2207 OG SER A 134 1.624 -1.348 -4.363 1.00 2.07 O ATOM 0 H SER A 134 -0.567 -0.204 -2.025 1.00 0.46 H new ATOM 0 HA SER A 134 1.999 1.158 -2.157 1.00 0.42 H new ATOM 0 HB2 SER A 134 3.132 -0.237 -3.550 1.00 0.45 H new ATOM 0 HB3 SER A 134 2.368 -1.378 -2.462 1.00 0.45 H new ATOM 0 HG SER A 134 0.657 -1.451 -4.241 1.00 2.07 H new ATOM 2213 N PHE A 135 1.167 2.516 -4.036 1.00 0.46 N ATOM 2214 CA PHE A 135 0.775 3.283 -5.220 1.00 0.48 C ATOM 2215 C PHE A 135 1.745 2.944 -6.352 1.00 0.44 C ATOM 2216 O PHE A 135 2.964 2.925 -6.155 1.00 0.42 O ATOM 2217 CB PHE A 135 0.718 4.800 -4.954 1.00 0.57 C ATOM 2218 CG PHE A 135 0.081 5.251 -3.647 1.00 0.56 C ATOM 2219 CD1 PHE A 135 -1.079 4.618 -3.153 1.00 1.85 C ATOM 2220 CD2 PHE A 135 0.619 6.352 -2.948 1.00 1.57 C ATOM 2221 CE1 PHE A 135 -1.691 5.083 -1.976 1.00 1.92 C ATOM 2222 CE2 PHE A 135 0.011 6.808 -1.763 1.00 1.62 C ATOM 2223 CZ PHE A 135 -1.145 6.172 -1.277 1.00 0.85 C ATOM 0 H PHE A 135 1.893 2.960 -3.473 1.00 0.46 H new ATOM 0 HA PHE A 135 -0.240 3.003 -5.502 1.00 0.48 H new ATOM 0 HB2 PHE A 135 1.736 5.188 -4.986 1.00 0.57 H new ATOM 0 HB3 PHE A 135 0.174 5.267 -5.775 1.00 0.57 H new ATOM 0 HD1 PHE A 135 -1.498 3.774 -3.681 1.00 1.85 H new ATOM 0 HD2 PHE A 135 1.502 6.848 -3.324 1.00 1.57 H new ATOM 0 HE1 PHE A 135 -2.585 4.601 -1.608 1.00 1.92 H new ATOM 0 HE2 PHE A 135 0.432 7.646 -1.227 1.00 1.62 H new ATOM 0 HZ PHE A 135 -1.612 6.520 -0.368 1.00 0.85 H new ATOM 2233 N SER A 136 1.205 2.713 -7.543 1.00 0.45 N ATOM 2234 CA SER A 136 1.974 2.727 -8.788 1.00 0.42 C ATOM 2235 C SER A 136 1.995 4.147 -9.364 1.00 0.48 C ATOM 2236 O SER A 136 1.153 4.976 -9.014 1.00 0.70 O ATOM 2237 CB SER A 136 1.340 1.778 -9.810 1.00 0.55 C ATOM 2238 OG SER A 136 1.405 0.437 -9.363 1.00 1.71 O ATOM 0 H SER A 136 0.214 2.509 -7.676 1.00 0.45 H new ATOM 0 HA SER A 136 2.992 2.400 -8.577 1.00 0.42 H new ATOM 0 HB2 SER A 136 0.300 2.060 -9.977 1.00 0.55 H new ATOM 0 HB3 SER A 136 1.854 1.872 -10.767 1.00 0.55 H new ATOM 0 HG SER A 136 0.583 0.213 -8.879 1.00 1.71 H new ATOM 2244 N ARG A 137 2.923 4.421 -10.283 1.00 0.42 N ATOM 2245 CA ARG A 137 2.978 5.663 -11.053 1.00 0.45 C ATOM 2246 C ARG A 137 3.481 5.400 -12.477 1.00 0.48 C ATOM 2247 O ARG A 137 4.372 4.575 -12.690 1.00 0.51 O ATOM 2248 CB ARG A 137 3.778 6.743 -10.301 1.00 0.53 C ATOM 2249 CG ARG A 137 5.285 6.463 -10.202 1.00 1.73 C ATOM 2250 CD ARG A 137 6.004 7.555 -9.399 1.00 2.09 C ATOM 2251 NE ARG A 137 7.466 7.448 -9.553 1.00 3.71 N ATOM 2252 CZ ARG A 137 8.387 7.933 -8.728 1.00 4.74 C ATOM 2253 NH1 ARG A 137 8.071 8.592 -7.631 1.00 4.57 N ATOM 2254 NH2 ARG A 137 9.661 7.766 -9.005 1.00 6.45 N ATOM 0 H ARG A 137 3.673 3.771 -10.517 1.00 0.42 H new ATOM 0 HA ARG A 137 1.969 6.061 -11.160 1.00 0.45 H new ATOM 0 HB2 ARG A 137 3.631 7.701 -10.801 1.00 0.53 H new ATOM 0 HB3 ARG A 137 3.373 6.843 -9.294 1.00 0.53 H new ATOM 0 HG2 ARG A 137 5.447 5.495 -9.729 1.00 1.73 H new ATOM 0 HG3 ARG A 137 5.712 6.404 -11.203 1.00 1.73 H new ATOM 0 HD2 ARG A 137 5.670 8.537 -9.734 1.00 2.09 H new ATOM 0 HD3 ARG A 137 5.739 7.471 -8.345 1.00 2.09 H new ATOM 0 HE ARG A 137 7.805 6.951 -10.377 1.00 3.71 H new ATOM 0 HH11 ARG A 137 7.091 8.744 -7.392 1.00 4.57 H new ATOM 0 HH12 ARG A 137 8.806 8.950 -7.021 1.00 4.57 H new ATOM 0 HH21 ARG A 137 9.938 7.266 -9.850 1.00 6.45 H new ATOM 0 HH22 ARG A 137 10.373 8.136 -8.375 1.00 6.45 H new ATOM 2268 N CYS A 138 2.905 6.101 -13.453 1.00 0.52 N ATOM 2269 CA CYS A 138 3.266 6.015 -14.876 1.00 0.61 C ATOM 2270 C CYS A 138 4.564 6.782 -15.198 1.00 0.65 C ATOM 2271 O CYS A 138 5.195 6.548 -16.229 1.00 0.74 O ATOM 2272 CB CYS A 138 2.063 6.488 -15.711 1.00 0.75 C ATOM 2273 SG CYS A 138 1.728 8.260 -15.471 1.00 2.27 S ATOM 0 H CYS A 138 2.152 6.765 -13.275 1.00 0.52 H new ATOM 0 HA CYS A 138 3.488 4.980 -15.135 1.00 0.61 H new ATOM 0 HB2 CYS A 138 2.254 6.294 -16.766 1.00 0.75 H new ATOM 0 HB3 CYS A 138 1.180 5.911 -15.436 1.00 0.75 H new ATOM 0 HG CYS A 138 1.267 8.456 -14.271 1.00 2.27 H new ATOM 2279 N SER A 139 5.000 7.654 -14.294 1.00 0.66 N ATOM 2280 CA SER A 139 6.331 8.255 -14.252 1.00 0.71 C ATOM 2281 C SER A 139 7.402 7.193 -13.928 1.00 0.63 C ATOM 2282 O SER A 139 7.651 6.844 -12.771 1.00 0.72 O ATOM 2283 CB SER A 139 6.343 9.430 -13.249 1.00 0.85 C ATOM 2284 OG SER A 139 5.319 9.332 -12.257 1.00 1.65 O ATOM 0 H SER A 139 4.405 7.978 -13.532 1.00 0.66 H new ATOM 0 HA SER A 139 6.578 8.656 -15.235 1.00 0.71 H new ATOM 0 HB2 SER A 139 7.315 9.469 -12.757 1.00 0.85 H new ATOM 0 HB3 SER A 139 6.224 10.366 -13.794 1.00 0.85 H new ATOM 0 HG SER A 139 5.376 10.100 -11.651 1.00 1.65 H new ATOM 2290 N ALA A 140 8.087 6.709 -14.970 1.00 0.75 N ATOM 2291 CA ALA A 140 9.155 5.693 -14.924 1.00 0.82 C ATOM 2292 C ALA A 140 10.463 6.179 -14.253 1.00 0.83 C ATOM 2293 O ALA A 140 11.490 5.497 -14.297 1.00 0.97 O ATOM 2294 CB ALA A 140 9.422 5.275 -16.376 1.00 1.00 C ATOM 0 H ALA A 140 7.905 7.030 -15.921 1.00 0.75 H new ATOM 0 HA ALA A 140 8.820 4.861 -14.304 1.00 0.82 H new ATOM 0 HB1 ALA A 140 10.208 4.521 -16.399 1.00 1.00 H new ATOM 0 HB2 ALA A 140 8.511 4.863 -16.809 1.00 1.00 H new ATOM 0 HB3 ALA A 140 9.737 6.145 -16.953 1.00 1.00 H new ATOM 2300 N ARG A 141 10.425 7.383 -13.678 1.00 0.79 N ATOM 2301 CA ARG A 141 11.532 8.105 -13.061 1.00 0.86 C ATOM 2302 C ARG A 141 11.985 7.432 -11.758 1.00 0.85 C ATOM 2303 O ARG A 141 11.212 6.731 -11.108 1.00 0.94 O ATOM 2304 CB ARG A 141 11.066 9.554 -12.817 1.00 0.96 C ATOM 2305 CG ARG A 141 11.320 10.525 -13.984 1.00 1.35 C ATOM 2306 CD ARG A 141 10.959 9.997 -15.381 1.00 1.80 C ATOM 2307 NE ARG A 141 11.078 11.065 -16.391 1.00 2.70 N ATOM 2308 CZ ARG A 141 11.306 10.917 -17.692 1.00 3.72 C ATOM 2309 NH1 ARG A 141 11.488 9.736 -18.247 1.00 4.43 N ATOM 2310 NH2 ARG A 141 11.353 11.980 -18.466 1.00 4.45 N ATOM 0 H ARG A 141 9.556 7.914 -13.630 1.00 0.79 H new ATOM 0 HA ARG A 141 12.399 8.098 -13.722 1.00 0.86 H new ATOM 0 HB2 ARG A 141 9.998 9.544 -12.598 1.00 0.96 H new ATOM 0 HB3 ARG A 141 11.570 9.937 -11.929 1.00 0.96 H new ATOM 0 HG2 ARG A 141 10.752 11.438 -13.803 1.00 1.35 H new ATOM 0 HG3 ARG A 141 12.375 10.800 -13.981 1.00 1.35 H new ATOM 0 HD2 ARG A 141 11.617 9.168 -15.643 1.00 1.80 H new ATOM 0 HD3 ARG A 141 9.941 9.607 -15.376 1.00 1.80 H new ATOM 0 HE ARG A 141 10.974 12.022 -16.054 1.00 2.70 H new ATOM 0 HH11 ARG A 141 11.456 8.893 -17.674 1.00 4.43 H new ATOM 0 HH12 ARG A 141 11.660 9.665 -19.250 1.00 4.43 H new ATOM 0 HH21 ARG A 141 11.215 12.908 -18.066 1.00 4.45 H new ATOM 0 HH22 ARG A 141 11.527 11.876 -19.466 1.00 4.45 H new ATOM 2324 N GLU A 142 13.228 7.684 -11.364 1.00 0.80 N ATOM 2325 CA GLU A 142 13.935 7.042 -10.246 1.00 0.87 C ATOM 2326 C GLU A 142 13.221 7.241 -8.888 1.00 1.07 C ATOM 2327 O GLU A 142 12.573 8.268 -8.656 1.00 1.12 O ATOM 2328 CB GLU A 142 15.348 7.660 -10.199 1.00 0.81 C ATOM 2329 CG GLU A 142 16.353 6.970 -9.266 1.00 1.32 C ATOM 2330 CD GLU A 142 17.609 7.840 -9.108 1.00 2.13 C ATOM 2331 OE1 GLU A 142 17.638 8.691 -8.187 1.00 3.39 O ATOM 2332 OE2 GLU A 142 18.570 7.672 -9.899 1.00 2.45 O ATOM 0 H GLU A 142 13.807 8.378 -11.837 1.00 0.80 H new ATOM 0 HA GLU A 142 13.965 5.965 -10.411 1.00 0.87 H new ATOM 0 HB2 GLU A 142 15.758 7.657 -11.209 1.00 0.81 H new ATOM 0 HB3 GLU A 142 15.257 8.703 -9.895 1.00 0.81 H new ATOM 0 HG2 GLU A 142 15.897 6.796 -8.292 1.00 1.32 H new ATOM 0 HG3 GLU A 142 16.625 5.995 -9.669 1.00 1.32 H new ATOM 2339 N ILE A 143 13.379 6.286 -7.956 1.00 1.24 N ATOM 2340 CA ILE A 143 13.151 6.535 -6.519 1.00 1.22 C ATOM 2341 C ILE A 143 14.502 6.887 -5.839 1.00 1.25 C ATOM 2342 O ILE A 143 15.348 5.994 -5.709 1.00 1.33 O ATOM 2343 CB ILE A 143 12.456 5.319 -5.849 1.00 1.25 C ATOM 2344 CG1 ILE A 143 11.012 5.091 -6.354 1.00 1.28 C ATOM 2345 CG2 ILE A 143 12.454 5.476 -4.327 1.00 1.40 C ATOM 2346 CD1 ILE A 143 9.975 6.076 -5.797 1.00 1.27 C ATOM 0 H ILE A 143 13.665 5.331 -8.171 1.00 1.24 H new ATOM 0 HA ILE A 143 12.477 7.383 -6.397 1.00 1.22 H new ATOM 0 HB ILE A 143 13.036 4.440 -6.131 1.00 1.25 H new ATOM 0 HG12 ILE A 143 11.007 5.156 -7.442 1.00 1.28 H new ATOM 0 HG13 ILE A 143 10.707 4.077 -6.094 1.00 1.28 H new ATOM 0 HG21 ILE A 143 11.963 4.615 -3.873 1.00 1.40 H new ATOM 0 HG22 ILE A 143 13.481 5.540 -3.966 1.00 1.40 H new ATOM 0 HG23 ILE A 143 11.917 6.385 -4.056 1.00 1.40 H new ATOM 0 HD11 ILE A 143 8.993 5.840 -6.206 1.00 1.27 H new ATOM 0 HD12 ILE A 143 9.945 5.997 -4.710 1.00 1.27 H new ATOM 0 HD13 ILE A 143 10.250 7.092 -6.079 1.00 1.27 H new ATOM 2358 N PRO A 144 14.694 8.146 -5.378 1.00 1.28 N ATOM 2359 CA PRO A 144 15.747 8.560 -4.447 1.00 1.31 C ATOM 2360 C PRO A 144 15.253 8.284 -3.015 1.00 1.24 C ATOM 2361 O PRO A 144 14.788 7.188 -2.725 1.00 2.09 O ATOM 2362 CB PRO A 144 15.991 10.035 -4.800 1.00 1.50 C ATOM 2363 CG PRO A 144 14.590 10.540 -5.144 1.00 1.47 C ATOM 2364 CD PRO A 144 13.945 9.326 -5.818 1.00 1.37 C ATOM 0 HA PRO A 144 16.694 8.024 -4.517 1.00 1.31 H new ATOM 0 HB2 PRO A 144 16.424 10.584 -3.964 1.00 1.50 H new ATOM 0 HB3 PRO A 144 16.676 10.141 -5.641 1.00 1.50 H new ATOM 0 HG2 PRO A 144 14.041 10.847 -4.254 1.00 1.47 H new ATOM 0 HG3 PRO A 144 14.623 11.402 -5.811 1.00 1.47 H new ATOM 0 HD2 PRO A 144 12.895 9.243 -5.539 1.00 1.37 H new ATOM 0 HD3 PRO A 144 13.980 9.423 -6.903 1.00 1.37 H new ATOM 2372 N ILE A 145 15.258 9.285 -2.128 1.00 1.00 N ATOM 2373 CA ILE A 145 14.528 9.296 -0.842 1.00 0.92 C ATOM 2374 C ILE A 145 13.018 9.551 -1.050 1.00 1.19 C ATOM 2375 O ILE A 145 12.342 10.122 -0.200 1.00 1.84 O ATOM 2376 CB ILE A 145 15.249 10.287 0.104 1.00 1.05 C ATOM 2377 CG1 ILE A 145 15.056 10.065 1.630 1.00 1.11 C ATOM 2378 CG2 ILE A 145 15.057 11.745 -0.350 1.00 1.24 C ATOM 2379 CD1 ILE A 145 13.684 10.294 2.289 1.00 1.16 C ATOM 0 H ILE A 145 15.787 10.143 -2.285 1.00 1.00 H new ATOM 0 HA ILE A 145 14.550 8.319 -0.360 1.00 0.92 H new ATOM 0 HB ILE A 145 16.306 10.044 -0.008 1.00 1.05 H new ATOM 0 HG12 ILE A 145 15.347 9.037 1.844 1.00 1.11 H new ATOM 0 HG13 ILE A 145 15.769 10.711 2.141 1.00 1.11 H new ATOM 0 HG21 ILE A 145 15.577 12.412 0.338 1.00 1.24 H new ATOM 0 HG22 ILE A 145 15.464 11.870 -1.354 1.00 1.24 H new ATOM 0 HG23 ILE A 145 13.994 11.987 -0.356 1.00 1.24 H new ATOM 0 HD11 ILE A 145 13.754 10.087 3.357 1.00 1.16 H new ATOM 0 HD12 ILE A 145 13.377 11.329 2.140 1.00 1.16 H new ATOM 0 HD13 ILE A 145 12.948 9.628 1.838 1.00 1.16 H new ATOM 2391 N LEU A 146 12.475 9.188 -2.221 1.00 1.13 N ATOM 2392 CA LEU A 146 11.042 9.201 -2.594 1.00 1.15 C ATOM 2393 C LEU A 146 10.496 10.617 -2.888 1.00 1.12 C ATOM 2394 O LEU A 146 9.753 10.799 -3.848 1.00 1.30 O ATOM 2395 CB LEU A 146 10.219 8.506 -1.477 1.00 1.21 C ATOM 2396 CG LEU A 146 9.378 7.320 -1.956 1.00 1.51 C ATOM 2397 CD1 LEU A 146 8.835 6.569 -0.741 1.00 1.39 C ATOM 2398 CD2 LEU A 146 8.205 7.782 -2.807 1.00 2.91 C ATOM 0 H LEU A 146 13.059 8.854 -2.988 1.00 1.13 H new ATOM 0 HA LEU A 146 10.941 8.651 -3.530 1.00 1.15 H new ATOM 0 HB2 LEU A 146 10.902 8.161 -0.700 1.00 1.21 H new ATOM 0 HB3 LEU A 146 9.559 9.242 -1.018 1.00 1.21 H new ATOM 0 HG LEU A 146 10.014 6.673 -2.560 1.00 1.51 H new ATOM 0 HD11 LEU A 146 8.235 5.723 -1.075 1.00 1.39 H new ATOM 0 HD12 LEU A 146 9.666 6.208 -0.135 1.00 1.39 H new ATOM 0 HD13 LEU A 146 8.216 7.240 -0.145 1.00 1.39 H new ATOM 0 HD21 LEU A 146 7.628 6.916 -3.131 1.00 2.91 H new ATOM 0 HD22 LEU A 146 7.568 8.444 -2.220 1.00 2.91 H new ATOM 0 HD23 LEU A 146 8.578 8.318 -3.680 1.00 2.91 H new ATOM 2410 N SER A 147 10.890 11.565 -2.037 1.00 0.92 N ATOM 2411 CA SER A 147 10.499 12.967 -1.802 1.00 0.83 C ATOM 2412 C SER A 147 10.004 13.057 -0.353 1.00 0.77 C ATOM 2413 O SER A 147 9.071 12.354 0.025 1.00 0.78 O ATOM 2414 CB SER A 147 9.435 13.546 -2.745 1.00 0.81 C ATOM 2415 OG SER A 147 9.978 13.855 -4.024 1.00 1.37 O ATOM 0 H SER A 147 11.627 11.323 -1.374 1.00 0.92 H new ATOM 0 HA SER A 147 11.382 13.573 -2.003 1.00 0.83 H new ATOM 0 HB2 SER A 147 8.621 12.830 -2.858 1.00 0.81 H new ATOM 0 HB3 SER A 147 9.008 14.447 -2.303 1.00 0.81 H new ATOM 0 HG SER A 147 10.128 13.026 -4.525 1.00 1.37 H new ATOM 2421 N ASP A 148 10.613 13.909 0.473 1.00 0.77 N ATOM 2422 CA ASP A 148 10.400 13.971 1.933 1.00 0.80 C ATOM 2423 C ASP A 148 8.926 14.138 2.356 1.00 0.75 C ATOM 2424 O ASP A 148 8.462 13.498 3.299 1.00 0.82 O ATOM 2425 CB ASP A 148 11.270 15.100 2.520 1.00 0.92 C ATOM 2426 CG ASP A 148 11.184 16.417 1.726 1.00 2.39 C ATOM 2427 OD1 ASP A 148 10.290 17.248 2.013 1.00 3.29 O ATOM 2428 OD2 ASP A 148 12.011 16.600 0.800 1.00 3.72 O ATOM 0 H ASP A 148 11.289 14.598 0.142 1.00 0.77 H new ATOM 0 HA ASP A 148 10.699 13.004 2.337 1.00 0.80 H new ATOM 0 HB2 ASP A 148 10.965 15.285 3.550 1.00 0.92 H new ATOM 0 HB3 ASP A 148 12.308 14.770 2.550 1.00 0.92 H new ATOM 2433 N GLU A 149 8.179 14.958 1.626 1.00 0.70 N ATOM 2434 CA GLU A 149 6.763 15.242 1.837 1.00 0.74 C ATOM 2435 C GLU A 149 5.866 14.051 1.470 1.00 0.72 C ATOM 2436 O GLU A 149 4.791 13.890 2.059 1.00 0.87 O ATOM 2437 CB GLU A 149 6.440 16.528 1.047 1.00 0.88 C ATOM 2438 CG GLU A 149 4.982 16.811 0.644 1.00 1.36 C ATOM 2439 CD GLU A 149 4.030 17.167 1.794 1.00 2.45 C ATOM 2440 OE1 GLU A 149 4.416 17.144 2.986 1.00 3.99 O ATOM 2441 OE2 GLU A 149 2.844 17.444 1.492 1.00 2.94 O ATOM 0 H GLU A 149 8.563 15.469 0.831 1.00 0.70 H new ATOM 0 HA GLU A 149 6.554 15.404 2.895 1.00 0.74 H new ATOM 0 HB2 GLU A 149 6.787 17.374 1.640 1.00 0.88 H new ATOM 0 HB3 GLU A 149 7.036 16.512 0.135 1.00 0.88 H new ATOM 0 HG2 GLU A 149 4.976 17.630 -0.075 1.00 1.36 H new ATOM 0 HG3 GLU A 149 4.590 15.933 0.131 1.00 1.36 H new ATOM 2448 N LEU A 150 6.283 13.218 0.513 1.00 0.64 N ATOM 2449 CA LEU A 150 5.635 11.933 0.237 1.00 0.56 C ATOM 2450 C LEU A 150 6.104 10.846 1.212 1.00 0.59 C ATOM 2451 O LEU A 150 5.270 10.098 1.701 1.00 0.59 O ATOM 2452 CB LEU A 150 5.864 11.560 -1.238 1.00 0.56 C ATOM 2453 CG LEU A 150 5.255 10.210 -1.675 1.00 0.60 C ATOM 2454 CD1 LEU A 150 3.746 10.062 -1.418 1.00 1.64 C ATOM 2455 CD2 LEU A 150 5.484 10.041 -3.182 1.00 1.75 C ATOM 0 H LEU A 150 7.080 13.415 -0.093 1.00 0.64 H new ATOM 0 HA LEU A 150 4.561 12.022 0.398 1.00 0.56 H new ATOM 0 HB2 LEU A 150 5.448 12.349 -1.865 1.00 0.56 H new ATOM 0 HB3 LEU A 150 6.937 11.535 -1.428 1.00 0.56 H new ATOM 0 HG LEU A 150 5.752 9.451 -1.070 1.00 0.60 H new ATOM 0 HD11 LEU A 150 3.413 9.081 -1.759 1.00 1.64 H new ATOM 0 HD12 LEU A 150 3.547 10.162 -0.351 1.00 1.64 H new ATOM 0 HD13 LEU A 150 3.207 10.837 -1.962 1.00 1.64 H new ATOM 0 HD21 LEU A 150 5.060 9.092 -3.510 1.00 1.75 H new ATOM 0 HD22 LEU A 150 5.001 10.858 -3.717 1.00 1.75 H new ATOM 0 HD23 LEU A 150 6.554 10.052 -3.391 1.00 1.75 H new ATOM 2467 N GLN A 151 7.399 10.736 1.527 1.00 0.68 N ATOM 2468 CA GLN A 151 7.939 9.649 2.356 1.00 0.81 C ATOM 2469 C GLN A 151 7.339 9.655 3.771 1.00 0.87 C ATOM 2470 O GLN A 151 7.068 8.591 4.325 1.00 1.03 O ATOM 2471 CB GLN A 151 9.478 9.601 2.310 1.00 0.99 C ATOM 2472 CG GLN A 151 10.238 10.411 3.382 1.00 1.20 C ATOM 2473 CD GLN A 151 10.670 9.622 4.632 1.00 1.62 C ATOM 2474 OE1 GLN A 151 9.858 8.761 5.215 1.00 3.11 O flip ATOM 2475 NE2 GLN A 151 11.780 9.771 5.126 1.00 2.10 N flip ATOM 0 H GLN A 151 8.106 11.401 1.214 1.00 0.68 H new ATOM 0 HA GLN A 151 7.618 8.702 1.922 1.00 0.81 H new ATOM 0 HB2 GLN A 151 9.787 8.559 2.391 1.00 0.99 H new ATOM 0 HB3 GLN A 151 9.798 9.953 1.329 1.00 0.99 H new ATOM 0 HG2 GLN A 151 11.127 10.843 2.922 1.00 1.20 H new ATOM 0 HG3 GLN A 151 9.607 11.241 3.699 1.00 1.20 H new ATOM 0 HE21 GLN A 151 12.440 10.426 4.708 1.00 2.10 H new ATOM 0 HE22 GLN A 151 12.045 9.240 5.956 1.00 2.10 H new ATOM 2484 N LEU A 152 7.155 10.842 4.376 1.00 0.83 N ATOM 2485 CA LEU A 152 6.525 10.974 5.691 1.00 0.94 C ATOM 2486 C LEU A 152 5.019 10.726 5.607 1.00 0.90 C ATOM 2487 O LEU A 152 4.458 9.993 6.420 1.00 1.01 O ATOM 2488 CB LEU A 152 6.850 12.361 6.273 1.00 0.96 C ATOM 2489 CG LEU A 152 8.339 12.565 6.630 1.00 1.05 C ATOM 2490 CD1 LEU A 152 8.574 14.035 7.004 1.00 1.07 C ATOM 2491 CD2 LEU A 152 8.788 11.661 7.789 1.00 1.27 C ATOM 0 H LEU A 152 7.440 11.731 3.964 1.00 0.83 H new ATOM 0 HA LEU A 152 6.927 10.216 6.363 1.00 0.94 H new ATOM 0 HB2 LEU A 152 6.553 13.123 5.553 1.00 0.96 H new ATOM 0 HB3 LEU A 152 6.249 12.517 7.169 1.00 0.96 H new ATOM 0 HG LEU A 152 8.931 12.294 5.756 1.00 1.05 H new ATOM 0 HD11 LEU A 152 9.624 14.183 7.257 1.00 1.07 H new ATOM 0 HD12 LEU A 152 8.311 14.672 6.159 1.00 1.07 H new ATOM 0 HD13 LEU A 152 7.954 14.296 7.862 1.00 1.07 H new ATOM 0 HD21 LEU A 152 9.842 11.840 8.003 1.00 1.27 H new ATOM 0 HD22 LEU A 152 8.194 11.884 8.675 1.00 1.27 H new ATOM 0 HD23 LEU A 152 8.647 10.616 7.511 1.00 1.27 H new ATOM 2503 N LYS A 153 4.359 11.297 4.593 1.00 0.78 N ATOM 2504 CA LYS A 153 2.925 11.101 4.362 1.00 0.73 C ATOM 2505 C LYS A 153 2.580 9.630 4.086 1.00 0.62 C ATOM 2506 O LYS A 153 1.554 9.148 4.543 1.00 0.61 O ATOM 2507 CB LYS A 153 2.465 12.038 3.237 1.00 0.79 C ATOM 2508 CG LYS A 153 0.939 12.243 3.207 1.00 1.15 C ATOM 2509 CD LYS A 153 0.454 13.499 3.952 1.00 2.43 C ATOM 2510 CE LYS A 153 0.441 14.763 3.072 1.00 2.40 C ATOM 2511 NZ LYS A 153 1.790 15.145 2.592 1.00 2.71 N ATOM 0 H LYS A 153 4.805 11.908 3.909 1.00 0.78 H new ATOM 0 HA LYS A 153 2.379 11.358 5.270 1.00 0.73 H new ATOM 0 HB2 LYS A 153 2.953 13.005 3.356 1.00 0.79 H new ATOM 0 HB3 LYS A 153 2.790 11.632 2.279 1.00 0.79 H new ATOM 0 HG2 LYS A 153 0.612 12.302 2.169 1.00 1.15 H new ATOM 0 HG3 LYS A 153 0.458 11.368 3.643 1.00 1.15 H new ATOM 0 HD2 LYS A 153 -0.551 13.321 4.334 1.00 2.43 H new ATOM 0 HD3 LYS A 153 1.097 13.672 4.815 1.00 2.43 H new ATOM 0 HE2 LYS A 153 -0.211 14.596 2.214 1.00 2.40 H new ATOM 0 HE3 LYS A 153 0.015 15.590 3.639 1.00 2.40 H new ATOM 0 HZ1 LYS A 153 1.745 16.079 2.136 1.00 2.71 H new ATOM 0 HZ2 LYS A 153 2.447 15.184 3.397 1.00 2.71 H new ATOM 0 HZ3 LYS A 153 2.126 14.440 1.905 1.00 2.71 H new ATOM 2525 N MET A 154 3.455 8.868 3.431 1.00 0.59 N ATOM 2526 CA MET A 154 3.302 7.421 3.245 1.00 0.56 C ATOM 2527 C MET A 154 3.284 6.658 4.571 1.00 0.58 C ATOM 2528 O MET A 154 2.425 5.789 4.760 1.00 0.60 O ATOM 2529 CB MET A 154 4.442 6.911 2.358 1.00 0.60 C ATOM 2530 CG MET A 154 4.115 7.124 0.881 1.00 1.47 C ATOM 2531 SD MET A 154 5.447 6.626 -0.223 1.00 2.51 S ATOM 2532 CE MET A 154 5.437 4.842 0.082 1.00 1.62 C ATOM 0 H MET A 154 4.304 9.242 3.007 1.00 0.59 H new ATOM 0 HA MET A 154 2.338 7.243 2.768 1.00 0.56 H new ATOM 0 HB2 MET A 154 5.366 7.432 2.610 1.00 0.60 H new ATOM 0 HB3 MET A 154 4.611 5.851 2.549 1.00 0.60 H new ATOM 0 HG2 MET A 154 3.216 6.562 0.631 1.00 1.47 H new ATOM 0 HG3 MET A 154 3.889 8.177 0.714 1.00 1.47 H new ATOM 0 HE1 MET A 154 6.241 4.372 -0.484 1.00 1.62 H new ATOM 0 HE2 MET A 154 5.583 4.654 1.146 1.00 1.62 H new ATOM 0 HE3 MET A 154 4.480 4.425 -0.232 1.00 1.62 H new ATOM 2542 N GLN A 155 4.198 6.982 5.487 1.00 0.64 N ATOM 2543 CA GLN A 155 4.230 6.380 6.822 1.00 0.69 C ATOM 2544 C GLN A 155 2.965 6.747 7.618 1.00 0.67 C ATOM 2545 O GLN A 155 2.407 5.902 8.318 1.00 0.67 O ATOM 2546 CB GLN A 155 5.523 6.804 7.541 1.00 0.80 C ATOM 2547 CG GLN A 155 5.790 5.943 8.788 1.00 1.00 C ATOM 2548 CD GLN A 155 7.019 6.428 9.563 1.00 1.62 C ATOM 2549 OE1 GLN A 155 6.953 7.345 10.374 1.00 1.73 O ATOM 2550 NE2 GLN A 155 8.184 5.850 9.348 1.00 2.93 N ATOM 0 H GLN A 155 4.936 7.668 5.325 1.00 0.64 H new ATOM 0 HA GLN A 155 4.234 5.293 6.736 1.00 0.69 H new ATOM 0 HB2 GLN A 155 6.365 6.721 6.854 1.00 0.80 H new ATOM 0 HB3 GLN A 155 5.451 7.852 7.831 1.00 0.80 H new ATOM 0 HG2 GLN A 155 4.917 5.967 9.440 1.00 1.00 H new ATOM 0 HG3 GLN A 155 5.936 4.905 8.488 1.00 1.00 H new ATOM 0 HE21 GLN A 155 8.258 5.085 8.677 1.00 2.93 H new ATOM 0 HE22 GLN A 155 9.012 6.167 9.853 1.00 2.93 H new ATOM 2559 N LEU A 156 2.458 7.973 7.447 1.00 0.68 N ATOM 2560 CA LEU A 156 1.157 8.398 7.964 1.00 0.68 C ATOM 2561 C LEU A 156 0.020 7.562 7.353 1.00 0.60 C ATOM 2562 O LEU A 156 -0.737 6.946 8.101 1.00 0.57 O ATOM 2563 CB LEU A 156 1.035 9.930 7.765 1.00 0.75 C ATOM 2564 CG LEU A 156 -0.272 10.643 8.174 1.00 0.86 C ATOM 2565 CD1 LEU A 156 -1.388 10.531 7.124 1.00 1.32 C ATOM 2566 CD2 LEU A 156 -0.766 10.183 9.546 1.00 1.77 C ATOM 0 H LEU A 156 2.949 8.707 6.937 1.00 0.68 H new ATOM 0 HA LEU A 156 1.070 8.210 9.034 1.00 0.68 H new ATOM 0 HB2 LEU A 156 1.850 10.398 8.317 1.00 0.75 H new ATOM 0 HB3 LEU A 156 1.205 10.138 6.709 1.00 0.75 H new ATOM 0 HG LEU A 156 -0.015 11.700 8.239 1.00 0.86 H new ATOM 0 HD11 LEU A 156 -2.275 11.055 7.479 1.00 1.32 H new ATOM 0 HD12 LEU A 156 -1.053 10.978 6.188 1.00 1.32 H new ATOM 0 HD13 LEU A 156 -1.628 9.481 6.959 1.00 1.32 H new ATOM 0 HD21 LEU A 156 -1.688 10.709 9.796 1.00 1.77 H new ATOM 0 HD22 LEU A 156 -0.955 9.110 9.524 1.00 1.77 H new ATOM 0 HD23 LEU A 156 -0.008 10.402 10.298 1.00 1.77 H new ATOM 2578 N LEU A 157 -0.090 7.469 6.022 1.00 0.58 N ATOM 2579 CA LEU A 157 -1.174 6.731 5.362 1.00 0.52 C ATOM 2580 C LEU A 157 -1.191 5.262 5.779 1.00 0.50 C ATOM 2581 O LEU A 157 -2.262 4.765 6.124 1.00 0.51 O ATOM 2582 CB LEU A 157 -1.118 6.856 3.818 1.00 0.52 C ATOM 2583 CG LEU A 157 -1.901 8.012 3.152 1.00 0.63 C ATOM 2584 CD1 LEU A 157 -3.274 8.264 3.781 1.00 1.74 C ATOM 2585 CD2 LEU A 157 -1.146 9.334 3.154 1.00 1.99 C ATOM 0 H LEU A 157 0.568 7.902 5.374 1.00 0.58 H new ATOM 0 HA LEU A 157 -2.104 7.192 5.695 1.00 0.52 H new ATOM 0 HB2 LEU A 157 -0.071 6.952 3.529 1.00 0.52 H new ATOM 0 HB3 LEU A 157 -1.481 5.920 3.394 1.00 0.52 H new ATOM 0 HG LEU A 157 -2.029 7.664 2.127 1.00 0.63 H new ATOM 0 HD11 LEU A 157 -3.766 9.088 3.264 1.00 1.74 H new ATOM 0 HD12 LEU A 157 -3.884 7.365 3.694 1.00 1.74 H new ATOM 0 HD13 LEU A 157 -3.151 8.519 4.834 1.00 1.74 H new ATOM 0 HD21 LEU A 157 -1.753 10.100 2.672 1.00 1.99 H new ATOM 0 HD22 LEU A 157 -0.935 9.631 4.181 1.00 1.99 H new ATOM 0 HD23 LEU A 157 -0.208 9.218 2.610 1.00 1.99 H new ATOM 2597 N VAL A 158 -0.039 4.578 5.806 1.00 0.51 N ATOM 2598 CA VAL A 158 -0.012 3.181 6.274 1.00 0.49 C ATOM 2599 C VAL A 158 -0.422 3.059 7.741 1.00 0.49 C ATOM 2600 O VAL A 158 -1.214 2.176 8.057 1.00 0.50 O ATOM 2601 CB VAL A 158 1.307 2.433 5.981 1.00 0.55 C ATOM 2602 CG1 VAL A 158 2.445 2.735 6.967 1.00 0.61 C ATOM 2603 CG2 VAL A 158 1.046 0.918 5.942 1.00 0.57 C ATOM 0 H VAL A 158 0.865 4.954 5.518 1.00 0.51 H new ATOM 0 HA VAL A 158 -0.765 2.671 5.673 1.00 0.49 H new ATOM 0 HB VAL A 158 1.647 2.799 5.012 1.00 0.55 H new ATOM 0 HG11 VAL A 158 3.331 2.167 6.685 1.00 0.61 H new ATOM 0 HG12 VAL A 158 2.674 3.800 6.943 1.00 0.61 H new ATOM 0 HG13 VAL A 158 2.138 2.452 7.974 1.00 0.61 H new ATOM 0 HG21 VAL A 158 1.979 0.393 5.735 1.00 0.57 H new ATOM 0 HG22 VAL A 158 0.652 0.592 6.905 1.00 0.57 H new ATOM 0 HG23 VAL A 158 0.322 0.694 5.159 1.00 0.57 H new ATOM 2613 N ARG A 159 0.046 3.958 8.621 1.00 0.53 N ATOM 2614 CA ARG A 159 -0.345 3.946 10.037 1.00 0.60 C ATOM 2615 C ARG A 159 -1.859 4.071 10.169 1.00 0.60 C ATOM 2616 O ARG A 159 -2.479 3.247 10.831 1.00 0.67 O ATOM 2617 CB ARG A 159 0.371 5.060 10.831 1.00 0.65 C ATOM 2618 CG ARG A 159 -0.102 5.186 12.303 1.00 0.96 C ATOM 2619 CD ARG A 159 -0.611 6.597 12.660 1.00 1.26 C ATOM 2620 NE ARG A 159 0.511 7.544 12.776 1.00 2.58 N ATOM 2621 CZ ARG A 159 1.244 7.761 13.864 1.00 3.26 C ATOM 2622 NH1 ARG A 159 0.961 7.199 15.022 1.00 3.40 N ATOM 2623 NH2 ARG A 159 2.293 8.551 13.797 1.00 4.58 N ATOM 0 H ARG A 159 0.697 4.704 8.375 1.00 0.53 H new ATOM 0 HA ARG A 159 -0.036 2.992 10.464 1.00 0.60 H new ATOM 0 HB2 ARG A 159 1.444 4.869 10.820 1.00 0.65 H new ATOM 0 HB3 ARG A 159 0.212 6.013 10.326 1.00 0.65 H new ATOM 0 HG2 ARG A 159 -0.897 4.463 12.485 1.00 0.96 H new ATOM 0 HG3 ARG A 159 0.723 4.926 12.966 1.00 0.96 H new ATOM 0 HD2 ARG A 159 -1.306 6.942 11.895 1.00 1.26 H new ATOM 0 HD3 ARG A 159 -1.162 6.563 13.600 1.00 1.26 H new ATOM 0 HE ARG A 159 0.748 8.084 11.944 1.00 2.58 H new ATOM 0 HH11 ARG A 159 0.158 6.575 15.104 1.00 3.40 H new ATOM 0 HH12 ARG A 159 1.545 7.388 15.837 1.00 3.40 H new ATOM 0 HH21 ARG A 159 2.542 8.995 12.913 1.00 4.58 H new ATOM 0 HH22 ARG A 159 2.858 8.720 14.629 1.00 4.58 H new ATOM 2637 N GLU A 160 -2.455 5.075 9.535 1.00 0.55 N ATOM 2638 CA GLU A 160 -3.863 5.412 9.745 1.00 0.57 C ATOM 2639 C GLU A 160 -4.776 4.420 9.031 1.00 0.60 C ATOM 2640 O GLU A 160 -5.810 4.061 9.579 1.00 0.68 O ATOM 2641 CB GLU A 160 -4.173 6.804 9.192 1.00 0.64 C ATOM 2642 CG GLU A 160 -3.232 7.929 9.622 1.00 1.52 C ATOM 2643 CD GLU A 160 -3.789 8.818 10.728 1.00 1.74 C ATOM 2644 OE1 GLU A 160 -4.499 9.791 10.398 1.00 2.78 O ATOM 2645 OE2 GLU A 160 -3.458 8.564 11.908 1.00 2.30 O ATOM 0 H GLU A 160 -1.980 5.678 8.863 1.00 0.55 H new ATOM 0 HA GLU A 160 -4.041 5.379 10.820 1.00 0.57 H new ATOM 0 HB2 GLU A 160 -4.165 6.749 8.103 1.00 0.64 H new ATOM 0 HB3 GLU A 160 -5.186 7.073 9.491 1.00 0.64 H new ATOM 0 HG2 GLU A 160 -2.292 7.493 9.960 1.00 1.52 H new ATOM 0 HG3 GLU A 160 -3.002 8.548 8.754 1.00 1.52 H new ATOM 2652 N SER A 161 -4.394 3.934 7.847 1.00 0.60 N ATOM 2653 CA SER A 161 -5.134 2.871 7.169 1.00 0.69 C ATOM 2654 C SER A 161 -5.166 1.611 8.031 1.00 0.76 C ATOM 2655 O SER A 161 -6.243 1.127 8.363 1.00 0.90 O ATOM 2656 CB SER A 161 -4.485 2.557 5.819 1.00 0.81 C ATOM 2657 OG SER A 161 -5.166 1.491 5.176 1.00 1.15 O ATOM 0 H SER A 161 -3.573 4.262 7.338 1.00 0.60 H new ATOM 0 HA SER A 161 -6.156 3.212 7.005 1.00 0.69 H new ATOM 0 HB2 SER A 161 -4.504 3.443 5.185 1.00 0.81 H new ATOM 0 HB3 SER A 161 -3.438 2.292 5.965 1.00 0.81 H new ATOM 0 HG SER A 161 -4.651 1.197 4.396 1.00 1.15 H new ATOM 2663 N LEU A 162 -4.002 1.138 8.489 1.00 0.74 N ATOM 2664 CA LEU A 162 -3.904 -0.053 9.329 1.00 0.89 C ATOM 2665 C LEU A 162 -4.655 0.157 10.639 1.00 1.04 C ATOM 2666 O LEU A 162 -5.414 -0.715 11.035 1.00 1.30 O ATOM 2667 CB LEU A 162 -2.425 -0.381 9.581 1.00 0.90 C ATOM 2668 CG LEU A 162 -1.714 -1.203 8.480 1.00 1.53 C ATOM 2669 CD1 LEU A 162 -1.871 -2.700 8.769 1.00 1.58 C ATOM 2670 CD2 LEU A 162 -2.144 -0.934 7.027 1.00 3.44 C ATOM 0 H LEU A 162 -3.102 1.573 8.286 1.00 0.74 H new ATOM 0 HA LEU A 162 -4.365 -0.898 8.817 1.00 0.89 H new ATOM 0 HB2 LEU A 162 -1.883 0.556 9.714 1.00 0.90 H new ATOM 0 HB3 LEU A 162 -2.350 -0.928 10.521 1.00 0.90 H new ATOM 0 HG LEU A 162 -0.678 -0.870 8.534 1.00 1.53 H new ATOM 0 HD11 LEU A 162 -1.369 -3.275 7.991 1.00 1.58 H new ATOM 0 HD12 LEU A 162 -1.426 -2.932 9.737 1.00 1.58 H new ATOM 0 HD13 LEU A 162 -2.930 -2.958 8.785 1.00 1.58 H new ATOM 0 HD21 LEU A 162 -1.572 -1.573 6.354 1.00 3.44 H new ATOM 0 HD22 LEU A 162 -3.207 -1.150 6.916 1.00 3.44 H new ATOM 0 HD23 LEU A 162 -1.959 0.111 6.780 1.00 3.44 H new ATOM 2682 N MET A 163 -4.504 1.312 11.283 1.00 0.97 N ATOM 2683 CA MET A 163 -5.157 1.648 12.548 1.00 1.24 C ATOM 2684 C MET A 163 -6.679 1.721 12.433 1.00 1.26 C ATOM 2685 O MET A 163 -7.386 1.069 13.202 1.00 1.43 O ATOM 2686 CB MET A 163 -4.565 2.983 13.027 1.00 1.38 C ATOM 2687 CG MET A 163 -5.239 3.543 14.276 1.00 1.57 C ATOM 2688 SD MET A 163 -4.424 4.974 15.024 1.00 2.20 S ATOM 2689 CE MET A 163 -4.473 6.092 13.609 1.00 1.72 C ATOM 0 H MET A 163 -3.908 2.061 10.931 1.00 0.97 H new ATOM 0 HA MET A 163 -4.967 0.856 13.273 1.00 1.24 H new ATOM 0 HB2 MET A 163 -3.503 2.847 13.229 1.00 1.38 H new ATOM 0 HB3 MET A 163 -4.645 3.715 12.223 1.00 1.38 H new ATOM 0 HG2 MET A 163 -6.262 3.821 14.022 1.00 1.57 H new ATOM 0 HG3 MET A 163 -5.300 2.750 15.022 1.00 1.57 H new ATOM 0 HE1 MET A 163 -4.141 7.084 13.917 1.00 1.72 H new ATOM 0 HE2 MET A 163 -3.815 5.716 12.826 1.00 1.72 H new ATOM 0 HE3 MET A 163 -5.493 6.152 13.228 1.00 1.72 H new ATOM 2699 N ALA A 164 -7.191 2.493 11.477 1.00 1.11 N ATOM 2700 CA ALA A 164 -8.623 2.709 11.298 1.00 1.18 C ATOM 2701 C ALA A 164 -9.303 1.427 10.805 1.00 1.29 C ATOM 2702 O ALA A 164 -10.365 1.064 11.307 1.00 1.45 O ATOM 2703 CB ALA A 164 -8.840 3.941 10.406 1.00 1.08 C ATOM 0 H ALA A 164 -6.616 2.991 10.798 1.00 1.11 H new ATOM 0 HA ALA A 164 -9.107 2.932 12.249 1.00 1.18 H new ATOM 0 HB1 ALA A 164 -9.908 4.107 10.269 1.00 1.08 H new ATOM 0 HB2 ALA A 164 -8.395 4.816 10.879 1.00 1.08 H new ATOM 0 HB3 ALA A 164 -8.371 3.775 9.436 1.00 1.08 H new ATOM 2709 N LEU A 165 -8.669 0.720 9.866 1.00 1.24 N ATOM 2710 CA LEU A 165 -9.165 -0.541 9.310 1.00 1.35 C ATOM 2711 C LEU A 165 -9.096 -1.665 10.351 1.00 1.46 C ATOM 2712 O LEU A 165 -10.062 -2.410 10.479 1.00 1.58 O ATOM 2713 CB LEU A 165 -8.440 -0.821 7.976 1.00 1.17 C ATOM 2714 CG LEU A 165 -9.131 -1.823 7.034 1.00 1.39 C ATOM 2715 CD1 LEU A 165 -8.901 -1.419 5.563 1.00 1.81 C ATOM 2716 CD2 LEU A 165 -8.636 -3.257 7.262 1.00 3.21 C ATOM 0 H LEU A 165 -7.779 1.014 9.463 1.00 1.24 H new ATOM 0 HA LEU A 165 -10.226 -0.475 9.068 1.00 1.35 H new ATOM 0 HB2 LEU A 165 -8.319 0.123 7.445 1.00 1.17 H new ATOM 0 HB3 LEU A 165 -7.440 -1.192 8.199 1.00 1.17 H new ATOM 0 HG LEU A 165 -10.198 -1.798 7.257 1.00 1.39 H new ATOM 0 HD11 LEU A 165 -9.395 -2.136 4.907 1.00 1.81 H new ATOM 0 HD12 LEU A 165 -9.313 -0.425 5.390 1.00 1.81 H new ATOM 0 HD13 LEU A 165 -7.832 -1.410 5.351 1.00 1.81 H new ATOM 0 HD21 LEU A 165 -9.149 -3.932 6.577 1.00 3.21 H new ATOM 0 HD22 LEU A 165 -7.562 -3.304 7.082 1.00 3.21 H new ATOM 0 HD23 LEU A 165 -8.845 -3.555 8.289 1.00 3.21 H new ATOM 2728 N MET A 166 -8.023 -1.760 11.148 1.00 1.43 N ATOM 2729 CA MET A 166 -7.921 -2.719 12.267 1.00 1.56 C ATOM 2730 C MET A 166 -9.066 -2.516 13.259 1.00 1.64 C ATOM 2731 O MET A 166 -9.766 -3.476 13.573 1.00 1.69 O ATOM 2732 CB MET A 166 -6.560 -2.588 12.982 1.00 1.58 C ATOM 2733 CG MET A 166 -6.366 -3.410 14.269 1.00 2.48 C ATOM 2734 SD MET A 166 -5.803 -5.124 14.080 1.00 2.92 S ATOM 2735 CE MET A 166 -7.341 -5.933 13.588 1.00 1.68 C ATOM 0 H MET A 166 -7.196 -1.173 11.038 1.00 1.43 H new ATOM 0 HA MET A 166 -7.995 -3.725 11.855 1.00 1.56 H new ATOM 0 HB2 MET A 166 -5.778 -2.872 12.277 1.00 1.58 H new ATOM 0 HB3 MET A 166 -6.404 -1.537 13.224 1.00 1.58 H new ATOM 0 HG2 MET A 166 -5.648 -2.886 14.900 1.00 2.48 H new ATOM 0 HG3 MET A 166 -7.313 -3.423 14.808 1.00 2.48 H new ATOM 0 HE1 MET A 166 -7.320 -6.976 13.903 1.00 1.68 H new ATOM 0 HE2 MET A 166 -8.184 -5.428 14.059 1.00 1.68 H new ATOM 0 HE3 MET A 166 -7.448 -5.884 12.504 1.00 1.68 H new ATOM 2745 N ARG A 167 -9.277 -1.284 13.736 1.00 1.71 N ATOM 2746 CA ARG A 167 -10.320 -0.968 14.727 1.00 1.91 C ATOM 2747 C ARG A 167 -11.761 -1.169 14.209 1.00 2.00 C ATOM 2748 O ARG A 167 -12.702 -1.237 15.003 1.00 2.17 O ATOM 2749 CB ARG A 167 -10.064 0.430 15.327 1.00 2.11 C ATOM 2750 CG ARG A 167 -10.307 0.434 16.846 1.00 2.02 C ATOM 2751 CD ARG A 167 -9.682 1.650 17.547 1.00 3.39 C ATOM 2752 NE ARG A 167 -10.662 2.717 17.825 1.00 3.62 N ATOM 2753 CZ ARG A 167 -10.375 3.931 18.282 1.00 5.41 C ATOM 2754 NH1 ARG A 167 -9.134 4.357 18.412 1.00 7.00 N ATOM 2755 NH2 ARG A 167 -11.349 4.745 18.628 1.00 6.18 N ATOM 0 H ARG A 167 -8.729 -0.474 13.447 1.00 1.71 H new ATOM 0 HA ARG A 167 -10.243 -1.698 15.532 1.00 1.91 H new ATOM 0 HB2 ARG A 167 -9.039 0.736 15.119 1.00 2.11 H new ATOM 0 HB3 ARG A 167 -10.718 1.160 14.849 1.00 2.11 H new ATOM 0 HG2 ARG A 167 -11.380 0.422 17.037 1.00 2.02 H new ATOM 0 HG3 ARG A 167 -9.896 -0.479 17.277 1.00 2.02 H new ATOM 0 HD2 ARG A 167 -9.226 1.329 18.484 1.00 3.39 H new ATOM 0 HD3 ARG A 167 -8.882 2.051 16.924 1.00 3.39 H new ATOM 0 HE ARG A 167 -11.644 2.504 17.651 1.00 3.62 H new ATOM 0 HH11 ARG A 167 -8.356 3.748 18.158 1.00 7.00 H new ATOM 0 HH12 ARG A 167 -8.952 5.296 18.766 1.00 7.00 H new ATOM 0 HH21 ARG A 167 -12.320 4.443 18.545 1.00 6.18 H new ATOM 0 HH22 ARG A 167 -11.133 5.678 18.979 1.00 6.18 H new ATOM 2769 N LEU A 168 -11.934 -1.276 12.884 1.00 1.92 N ATOM 2770 CA LEU A 168 -13.191 -1.602 12.194 1.00 2.01 C ATOM 2771 C LEU A 168 -13.343 -3.125 11.968 1.00 2.08 C ATOM 2772 O LEU A 168 -14.450 -3.654 12.067 1.00 2.39 O ATOM 2773 CB LEU A 168 -13.177 -0.797 10.872 1.00 1.93 C ATOM 2774 CG LEU A 168 -14.507 -0.342 10.250 1.00 1.49 C ATOM 2775 CD1 LEU A 168 -15.375 -1.470 9.683 1.00 2.76 C ATOM 2776 CD2 LEU A 168 -15.348 0.542 11.174 1.00 2.67 C ATOM 0 H LEU A 168 -11.163 -1.130 12.232 1.00 1.92 H new ATOM 0 HA LEU A 168 -14.058 -1.327 12.795 1.00 2.01 H new ATOM 0 HB2 LEU A 168 -12.572 0.094 11.039 1.00 1.93 H new ATOM 0 HB3 LEU A 168 -12.657 -1.400 10.127 1.00 1.93 H new ATOM 0 HG LEU A 168 -14.175 0.260 9.404 1.00 1.49 H new ATOM 0 HD11 LEU A 168 -16.291 -1.050 9.267 1.00 2.76 H new ATOM 0 HD12 LEU A 168 -14.826 -1.992 8.899 1.00 2.76 H new ATOM 0 HD13 LEU A 168 -15.626 -2.171 10.479 1.00 2.76 H new ATOM 0 HD21 LEU A 168 -16.271 0.824 10.667 1.00 2.67 H new ATOM 0 HD22 LEU A 168 -15.587 -0.007 12.085 1.00 2.67 H new ATOM 0 HD23 LEU A 168 -14.786 1.440 11.429 1.00 2.67 H new ATOM 2788 N ASN A 169 -12.239 -3.833 11.685 1.00 1.83 N ATOM 2789 CA ASN A 169 -12.227 -5.232 11.227 1.00 1.71 C ATOM 2790 C ASN A 169 -11.952 -6.283 12.331 1.00 1.75 C ATOM 2791 O ASN A 169 -12.483 -7.390 12.261 1.00 1.84 O ATOM 2792 CB ASN A 169 -11.176 -5.340 10.107 1.00 1.53 C ATOM 2793 CG ASN A 169 -11.293 -6.651 9.338 1.00 1.70 C ATOM 2794 OD1 ASN A 169 -12.179 -6.824 8.507 1.00 2.06 O ATOM 2795 ND2 ASN A 169 -10.424 -7.613 9.593 1.00 2.30 N ATOM 0 H ASN A 169 -11.303 -3.437 11.771 1.00 1.83 H new ATOM 0 HA ASN A 169 -13.232 -5.470 10.877 1.00 1.71 H new ATOM 0 HB2 ASN A 169 -11.294 -4.504 9.418 1.00 1.53 H new ATOM 0 HB3 ASN A 169 -10.178 -5.260 10.538 1.00 1.53 H new ATOM 0 HD21 ASN A 169 -10.488 -8.503 9.098 1.00 2.30 H new ATOM 0 HD22 ASN A 169 -9.689 -7.466 10.284 1.00 2.30 H new ATOM 2802 N ASP A 170 -11.107 -5.962 13.322 1.00 1.81 N ATOM 2803 CA ASP A 170 -10.738 -6.740 14.527 1.00 1.94 C ATOM 2804 C ASP A 170 -9.931 -8.045 14.303 1.00 2.51 C ATOM 2805 O ASP A 170 -9.333 -8.549 15.256 1.00 2.88 O ATOM 2806 CB ASP A 170 -11.962 -6.992 15.432 1.00 1.96 C ATOM 2807 CG ASP A 170 -12.523 -5.731 16.117 1.00 2.10 C ATOM 2808 OD1 ASP A 170 -11.760 -4.765 16.362 1.00 3.21 O ATOM 2809 OD2 ASP A 170 -13.731 -5.741 16.460 1.00 2.79 O ATOM 0 H ASP A 170 -10.616 -5.068 13.304 1.00 1.81 H new ATOM 0 HA ASP A 170 -10.027 -6.087 15.033 1.00 1.94 H new ATOM 0 HB2 ASP A 170 -12.752 -7.447 14.834 1.00 1.96 H new ATOM 0 HB3 ASP A 170 -11.687 -7.715 16.200 1.00 1.96 H new ATOM 2814 N GLU A 171 -9.872 -8.584 13.079 1.00 2.93 N ATOM 2815 CA GLU A 171 -9.159 -9.835 12.735 1.00 3.92 C ATOM 2816 C GLU A 171 -7.700 -9.624 12.279 1.00 4.68 C ATOM 2817 O GLU A 171 -6.777 -10.063 13.005 1.00 5.63 O ATOM 2818 CB GLU A 171 -9.937 -10.601 11.649 1.00 4.23 C ATOM 2819 CG GLU A 171 -11.343 -11.056 12.080 1.00 4.05 C ATOM 2820 CD GLU A 171 -12.147 -11.731 10.940 1.00 4.61 C ATOM 2821 OE1 GLU A 171 -11.961 -11.394 9.743 1.00 5.16 O ATOM 2822 OE2 GLU A 171 -13.014 -12.588 11.244 1.00 5.05 O ATOM 2823 OXT GLU A 171 -7.497 -9.067 11.175 1.00 4.75 O ATOM 0 H GLU A 171 -10.329 -8.156 12.274 1.00 2.93 H new ATOM 0 HA GLU A 171 -9.109 -10.416 13.656 1.00 3.92 H new ATOM 0 HB2 GLU A 171 -10.027 -9.966 10.767 1.00 4.23 H new ATOM 0 HB3 GLU A 171 -9.359 -11.477 11.354 1.00 4.23 H new ATOM 0 HG2 GLU A 171 -11.252 -11.753 12.913 1.00 4.05 H new ATOM 0 HG3 GLU A 171 -11.900 -10.193 12.446 1.00 4.05 H new TER 2830 GLU A 171 HETATM 2831 C8 HTF A 172 -4.137 -9.109 -7.517 1.00 1.06 C HETATM 2832 C7 HTF A 172 -3.523 -7.727 -7.282 1.00 1.28 C HETATM 2833 C6 HTF A 172 -3.160 -7.520 -5.803 1.00 1.02 C HETATM 2834 C5 HTF A 172 -2.855 -6.045 -5.474 1.00 1.87 C HETATM 2835 C4 HTF A 172 -1.673 -5.834 -4.502 1.00 1.80 C HETATM 2836 C3 HTF A 172 -0.362 -5.431 -5.207 1.00 2.02 C HETATM 2837 C2 HTF A 172 0.242 -6.547 -6.077 1.00 2.36 C HETATM 2838 C1 HTF A 172 1.085 -6.038 -7.242 1.00 2.50 C HETATM 2839 O1 HTF A 172 0.544 -5.841 -8.330 1.00 3.78 O HETATM 2840 N HTF A 172 2.393 -5.860 -7.035 1.00 1.69 N HETATM 2841 CA HTF A 172 3.412 -5.549 -8.057 1.00 1.88 C HETATM 2842 C HTF A 172 4.748 -4.990 -7.567 1.00 2.49 C HETATM 2843 O HTF A 172 5.273 -5.293 -6.497 1.00 4.00 O HETATM 2844 OD HTF A 172 5.226 -4.136 -8.455 1.00 2.52 O HETATM 2845 CG HTF A 172 4.376 -4.061 -9.584 1.00 2.42 C HETATM 2846 CB HTF A 172 3.000 -4.461 -9.052 1.00 2.66 C HETATM 0 HN HTF A 172 2.721 -5.948 -6.073 1.00 1.69 H new HETATM 0 HG3 HTF A 172 4.362 -3.056 -10.005 1.00 2.42 H new HETATM 0 HG2 HTF A 172 4.707 -4.733 -10.376 1.00 2.42 H new HETATM 0 HB3 HTF A 172 2.343 -4.839 -9.835 1.00 2.66 H new HETATM 0 HB2 HTF A 172 2.480 -3.632 -8.572 1.00 2.66 H new HETATM 0 HA HTF A 172 3.511 -6.550 -8.477 1.00 1.88 H new HETATM 0 H83 HTF A 172 -3.423 -9.879 -7.225 1.00 1.06 H new HETATM 0 H82 HTF A 172 -5.044 -9.210 -6.921 1.00 1.06 H new HETATM 0 H81 HTF A 172 -4.382 -9.223 -8.573 1.00 1.06 H new HETATM 0 H73 HTF A 172 -2.630 -7.614 -7.897 1.00 1.28 H new HETATM 0 H72 HTF A 172 -4.226 -6.956 -7.597 1.00 1.28 H new HETATM 0 H63 HTF A 172 -3.983 -7.866 -5.178 1.00 1.02 H new HETATM 0 H62 HTF A 172 -2.292 -8.132 -5.556 1.00 1.02 H new HETATM 0 H53 HTF A 172 -2.643 -5.515 -6.403 1.00 1.87 H new HETATM 0 H52 HTF A 172 -3.747 -5.590 -5.044 1.00 1.87 H new HETATM 0 H43 HTF A 172 -1.940 -5.063 -3.780 1.00 1.80 H new HETATM 0 H42 HTF A 172 -1.506 -6.753 -3.940 1.00 1.80 H new HETATM 0 H33 HTF A 172 -0.550 -4.557 -5.831 1.00 2.02 H new HETATM 0 H32 HTF A 172 0.368 -5.134 -4.454 1.00 2.02 H new HETATM 0 H23 HTF A 172 0.859 -7.189 -5.449 1.00 2.36 H new HETATM 0 H22 HTF A 172 -0.566 -7.165 -6.469 1.00 2.36 H new