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 HD1:sc= 0.264 K(o=0.33,f=-9.8!) USER MOD Set 1.2: A 94 MET CE :methyl -166:sc= -0.617 (180deg=-0.985) USER MOD Set 1.3: A 121 GLN :FLIP amide:sc= 0.678 F(o=-1.1!,f=0.33) USER MOD Set 2.1: A 43 SER OG : rot 54:sc= 1.48 USER MOD Set 2.2: A 63 TYR OH : rot 137:sc= 1.1 USER MOD Set 2.3: A 134 SER OG : rot 164:sc= 1.75 USER MOD Set 3.1: A 48 HIS : no HE2:sc= 0.342 K(o=-0.28,f=-3.8) USER MOD Set 3.2: A 166 MET CE :methyl -155:sc= -0.623 (180deg=-3.38!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.06 (180deg=0.798) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -157:sc= 0.807 (180deg=0.524) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 79:sc= 0.848 USER MOD Single : A 13 MET CE :methyl -110:sc= -0.0304 (180deg=-0.434) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -168:sc= 0 (180deg=-0.424) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.39 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.0048) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.63) USER MOD Single : A 36 GLN : amide:sc= -0.0328 X(o=-0.033,f=-0.033) 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 80:sc= 0 USER MOD Single : A 45 CYS SG : rot -136:sc= 0.037 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 -148:sc= 1.76 USER MOD Single : A 62 ASN : amide:sc= 0.817 K(o=0.82,f=0) 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 -165:sc= 1.26 USER MOD Single : A 72 GLN : amide:sc= -0.0806 X(o=-0.081,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 X(o=0,f=-0.21) USER MOD Single : A 87 ASN : amide:sc= 0.643 K(o=0.64,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0.801 K(o=0.8,f=-0.024) USER MOD Single : A 96 ASN : amide:sc= 0.911 K(o=0.91,f=-1.2) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 113 HIS : no HE2:sc= 0.462 K(o=0.46,f=-3!) USER MOD Single : A 120 THR OG1 : rot 177:sc= 0.506 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -173:sc= 0 (180deg=-0.0417) USER MOD Single : A 136 SER OG : rot -160:sc= 0 USER MOD Single : A 138 CYS SG : rot 180:sc= 0.0602 USER MOD Single : A 139 SER OG : rot 41:sc= 0.0483 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= -0.177 K(o=-0.18,f=-0.7) USER MOD Single : A 153 LYS NZ :NH3+ 171:sc= 2.45 (180deg=2.2) USER MOD Single : A 154 MET CE :methyl -142:sc= -0.221 (180deg=-0.569) USER MOD Single : A 155 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 161 SER OG : rot 180:sc= 0 USER MOD Single : A 163 MET CE :methyl -148:sc= -0.134 (180deg=-1.42) USER MOD Single : A 169 ASN :FLIP amide:sc=-0.000236 F(o=-0.62,f=-0.00024) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.749 30.564 9.241 1.00 6.77 N ATOM 2 CA MET A 1 4.069 31.504 10.168 1.00 6.61 C ATOM 3 C MET A 1 2.672 30.971 10.491 1.00 6.58 C ATOM 4 O MET A 1 1.982 30.502 9.589 1.00 7.34 O ATOM 5 CB MET A 1 4.048 32.932 9.587 1.00 7.60 C ATOM 6 CG MET A 1 3.668 34.016 10.605 1.00 8.28 C ATOM 7 SD MET A 1 1.895 34.205 10.947 1.00 9.10 S ATOM 8 CE MET A 1 1.967 35.582 12.126 1.00 10.24 C ATOM 0 H1 MET A 1 5.538 31.051 8.770 1.00 6.77 H new ATOM 0 H2 MET A 1 5.115 29.751 9.777 1.00 6.77 H new ATOM 0 H3 MET A 1 4.071 30.230 8.526 1.00 6.77 H new ATOM 0 HA MET A 1 4.624 31.569 11.104 1.00 6.61 H new ATOM 0 HB2 MET A 1 5.032 33.161 9.178 1.00 7.60 H new ATOM 0 HB3 MET A 1 3.343 32.965 8.757 1.00 7.60 H new ATOM 0 HG2 MET A 1 4.177 33.798 11.544 1.00 8.28 H new ATOM 0 HG3 MET A 1 4.052 34.972 10.248 1.00 8.28 H new ATOM 0 HE1 MET A 1 0.958 35.838 12.449 1.00 10.24 H new ATOM 0 HE2 MET A 1 2.561 35.289 12.992 1.00 10.24 H new ATOM 0 HE3 MET A 1 2.425 36.447 11.647 1.00 10.24 H new ATOM 20 N SER A 2 2.273 30.984 11.770 1.00 6.24 N ATOM 21 CA SER A 2 1.100 30.250 12.298 1.00 6.47 C ATOM 22 C SER A 2 1.379 28.732 12.214 1.00 5.02 C ATOM 23 O SER A 2 0.744 27.968 11.483 1.00 5.71 O ATOM 24 CB SER A 2 -0.218 30.693 11.633 1.00 8.33 C ATOM 25 OG SER A 2 -1.327 30.398 12.474 1.00 9.20 O ATOM 0 H SER A 2 2.764 31.516 12.489 1.00 6.24 H new ATOM 0 HA SER A 2 0.954 30.498 13.349 1.00 6.47 H new ATOM 0 HB2 SER A 2 -0.186 31.763 11.426 1.00 8.33 H new ATOM 0 HB3 SER A 2 -0.336 30.187 10.675 1.00 8.33 H new ATOM 0 HG SER A 2 -2.155 30.687 12.037 1.00 9.20 H new ATOM 31 N ASP A 3 2.458 28.325 12.889 1.00 3.56 N ATOM 32 CA ASP A 3 3.248 27.127 12.598 1.00 2.63 C ATOM 33 C ASP A 3 2.649 25.885 13.271 1.00 2.31 C ATOM 34 O ASP A 3 2.961 25.529 14.411 1.00 2.91 O ATOM 35 CB ASP A 3 4.711 27.399 12.980 1.00 2.74 C ATOM 36 CG ASP A 3 5.247 28.628 12.229 1.00 3.75 C ATOM 37 OD1 ASP A 3 5.583 28.503 11.028 1.00 4.64 O ATOM 38 OD2 ASP A 3 5.263 29.737 12.814 1.00 4.45 O ATOM 0 H ASP A 3 2.820 28.845 13.688 1.00 3.56 H new ATOM 0 HA ASP A 3 3.221 26.903 11.532 1.00 2.63 H new ATOM 0 HB2 ASP A 3 4.788 27.561 14.055 1.00 2.74 H new ATOM 0 HB3 ASP A 3 5.322 26.527 12.745 1.00 2.74 H new ATOM 43 N LYS A 4 1.727 25.263 12.539 1.00 2.25 N ATOM 44 CA LYS A 4 0.831 24.191 13.000 1.00 2.05 C ATOM 45 C LYS A 4 0.182 23.401 11.844 1.00 1.84 C ATOM 46 O LYS A 4 -0.682 22.556 12.067 1.00 1.80 O ATOM 47 CB LYS A 4 -0.207 24.810 13.970 1.00 2.18 C ATOM 48 CG LYS A 4 -0.228 24.076 15.321 1.00 2.13 C ATOM 49 CD LYS A 4 -0.725 24.948 16.486 1.00 2.26 C ATOM 50 CE LYS A 4 0.151 26.182 16.785 1.00 3.13 C ATOM 51 NZ LYS A 4 1.586 25.845 16.989 1.00 3.83 N ATOM 0 H LYS A 4 1.573 25.501 11.559 1.00 2.25 H new ATOM 0 HA LYS A 4 1.417 23.441 13.531 1.00 2.05 H new ATOM 0 HB2 LYS A 4 0.027 25.862 14.131 1.00 2.18 H new ATOM 0 HB3 LYS A 4 -1.198 24.769 13.518 1.00 2.18 H new ATOM 0 HG2 LYS A 4 -0.867 23.197 15.238 1.00 2.13 H new ATOM 0 HG3 LYS A 4 0.777 23.720 15.547 1.00 2.13 H new ATOM 0 HD2 LYS A 4 -1.738 25.283 16.265 1.00 2.26 H new ATOM 0 HD3 LYS A 4 -0.782 24.333 17.384 1.00 2.26 H new ATOM 0 HE2 LYS A 4 0.064 26.890 15.961 1.00 3.13 H new ATOM 0 HE3 LYS A 4 -0.229 26.682 17.676 1.00 3.13 H new ATOM 0 HZ1 LYS A 4 2.042 26.593 17.549 1.00 3.83 H new ATOM 0 HZ2 LYS A 4 1.661 24.939 17.495 1.00 3.83 H new ATOM 0 HZ3 LYS A 4 2.059 25.766 16.066 1.00 3.83 H new ATOM 65 N ASP A 5 0.611 23.650 10.604 1.00 1.80 N ATOM 66 CA ASP A 5 0.095 23.064 9.362 1.00 1.65 C ATOM 67 C ASP A 5 0.168 21.527 9.325 1.00 1.41 C ATOM 68 O ASP A 5 -0.824 20.880 8.996 1.00 1.29 O ATOM 69 CB ASP A 5 0.849 23.690 8.173 1.00 1.81 C ATOM 70 CG ASP A 5 2.381 23.674 8.335 1.00 2.81 C ATOM 71 OD1 ASP A 5 2.903 24.521 9.101 1.00 4.16 O ATOM 72 OD2 ASP A 5 3.050 22.816 7.712 1.00 3.43 O ATOM 0 H ASP A 5 1.373 24.305 10.429 1.00 1.80 H new ATOM 0 HA ASP A 5 -0.969 23.295 9.301 1.00 1.65 H new ATOM 0 HB2 ASP A 5 0.583 23.154 7.262 1.00 1.81 H new ATOM 0 HB3 ASP A 5 0.517 24.720 8.045 1.00 1.81 H new ATOM 77 N PHE A 6 1.302 20.938 9.714 1.00 1.39 N ATOM 78 CA PHE A 6 1.505 19.483 9.757 1.00 1.27 C ATOM 79 C PHE A 6 0.644 18.826 10.847 1.00 1.23 C ATOM 80 O PHE A 6 0.020 17.790 10.611 1.00 1.10 O ATOM 81 CB PHE A 6 3.005 19.198 9.955 1.00 1.36 C ATOM 82 CG PHE A 6 3.322 17.844 10.568 1.00 1.55 C ATOM 83 CD1 PHE A 6 3.210 16.665 9.806 1.00 2.63 C ATOM 84 CD2 PHE A 6 3.689 17.763 11.926 1.00 1.92 C ATOM 85 CE1 PHE A 6 3.471 15.415 10.399 1.00 3.31 C ATOM 86 CE2 PHE A 6 3.946 16.516 12.518 1.00 2.64 C ATOM 87 CZ PHE A 6 3.841 15.341 11.754 1.00 3.12 C ATOM 0 H PHE A 6 2.121 21.467 10.014 1.00 1.39 H new ATOM 0 HA PHE A 6 1.183 19.043 8.813 1.00 1.27 H new ATOM 0 HB2 PHE A 6 3.504 19.269 8.989 1.00 1.36 H new ATOM 0 HB3 PHE A 6 3.427 19.976 10.590 1.00 1.36 H new ATOM 0 HD1 PHE A 6 2.924 16.720 8.766 1.00 2.63 H new ATOM 0 HD2 PHE A 6 3.773 18.665 12.515 1.00 1.92 H new ATOM 0 HE1 PHE A 6 3.387 14.512 9.813 1.00 3.31 H new ATOM 0 HE2 PHE A 6 4.224 16.460 13.560 1.00 2.64 H new ATOM 0 HZ PHE A 6 4.044 14.382 12.207 1.00 3.12 H new ATOM 97 N PHE A 7 0.569 19.455 12.024 1.00 1.36 N ATOM 98 CA PHE A 7 -0.254 19.002 13.144 1.00 1.37 C ATOM 99 C PHE A 7 -1.742 19.061 12.786 1.00 1.26 C ATOM 100 O PHE A 7 -2.482 18.121 13.054 1.00 1.17 O ATOM 101 CB PHE A 7 0.069 19.881 14.363 1.00 1.58 C ATOM 102 CG PHE A 7 -0.871 19.691 15.539 1.00 1.60 C ATOM 103 CD1 PHE A 7 -0.644 18.664 16.475 1.00 1.97 C ATOM 104 CD2 PHE A 7 -1.985 20.538 15.687 1.00 2.52 C ATOM 105 CE1 PHE A 7 -1.527 18.491 17.557 1.00 2.05 C ATOM 106 CE2 PHE A 7 -2.868 20.364 16.766 1.00 2.51 C ATOM 107 CZ PHE A 7 -2.638 19.341 17.703 1.00 1.68 C ATOM 0 H PHE A 7 1.089 20.309 12.226 1.00 1.36 H new ATOM 0 HA PHE A 7 -0.030 17.961 13.378 1.00 1.37 H new ATOM 0 HB2 PHE A 7 1.087 19.669 14.689 1.00 1.58 H new ATOM 0 HB3 PHE A 7 0.043 20.927 14.058 1.00 1.58 H new ATOM 0 HD1 PHE A 7 0.207 18.009 16.363 1.00 1.97 H new ATOM 0 HD2 PHE A 7 -2.162 21.325 14.969 1.00 2.52 H new ATOM 0 HE1 PHE A 7 -1.351 17.705 18.276 1.00 2.05 H new ATOM 0 HE2 PHE A 7 -3.723 21.015 16.876 1.00 2.51 H new ATOM 0 HZ PHE A 7 -3.314 19.208 18.534 1.00 1.68 H new ATOM 117 N SER A 8 -2.175 20.144 12.143 1.00 1.30 N ATOM 118 CA SER A 8 -3.568 20.359 11.736 1.00 1.25 C ATOM 119 C SER A 8 -3.982 19.396 10.613 1.00 1.06 C ATOM 120 O SER A 8 -5.086 18.846 10.636 1.00 0.99 O ATOM 121 CB SER A 8 -3.758 21.820 11.307 1.00 1.41 C ATOM 122 OG SER A 8 -5.136 22.123 11.142 1.00 1.43 O ATOM 0 H SER A 8 -1.558 20.913 11.884 1.00 1.30 H new ATOM 0 HA SER A 8 -4.215 20.151 12.588 1.00 1.25 H new ATOM 0 HB2 SER A 8 -3.322 22.483 12.055 1.00 1.41 H new ATOM 0 HB3 SER A 8 -3.227 22.001 10.373 1.00 1.41 H new ATOM 0 HG SER A 8 -5.235 23.059 10.870 1.00 1.43 H new ATOM 128 N TRP A 9 -3.063 19.100 9.687 1.00 0.98 N ATOM 129 CA TRP A 9 -3.253 18.105 8.629 1.00 0.84 C ATOM 130 C TRP A 9 -3.450 16.724 9.255 1.00 0.70 C ATOM 131 O TRP A 9 -4.428 16.040 8.951 1.00 0.61 O ATOM 132 CB TRP A 9 -2.043 18.132 7.676 1.00 0.87 C ATOM 133 CG TRP A 9 -2.108 17.222 6.481 1.00 0.86 C ATOM 134 CD1 TRP A 9 -2.095 15.869 6.509 1.00 1.62 C ATOM 135 CD2 TRP A 9 -2.172 17.581 5.063 1.00 1.64 C ATOM 136 NE1 TRP A 9 -2.197 15.370 5.226 1.00 1.36 N ATOM 137 CE2 TRP A 9 -2.277 16.382 4.294 1.00 1.21 C ATOM 138 CE3 TRP A 9 -2.155 18.798 4.345 1.00 3.23 C ATOM 139 CZ2 TRP A 9 -2.411 16.392 2.897 1.00 2.03 C ATOM 140 CZ3 TRP A 9 -2.252 18.818 2.940 1.00 4.21 C ATOM 141 CH2 TRP A 9 -2.391 17.621 2.216 1.00 3.58 C ATOM 0 H TRP A 9 -2.150 19.554 9.653 1.00 0.98 H new ATOM 0 HA TRP A 9 -4.145 18.339 8.047 1.00 0.84 H new ATOM 0 HB2 TRP A 9 -1.913 19.154 7.320 1.00 0.87 H new ATOM 0 HB3 TRP A 9 -1.152 17.878 8.250 1.00 0.87 H new ATOM 0 HD1 TRP A 9 -2.016 15.268 7.403 1.00 1.62 H new ATOM 0 HE1 TRP A 9 -2.211 14.376 4.996 1.00 1.36 H new ATOM 0 HE3 TRP A 9 -2.066 19.730 4.883 1.00 3.23 H new ATOM 0 HZ2 TRP A 9 -2.528 15.467 2.352 1.00 2.03 H new ATOM 0 HZ3 TRP A 9 -2.219 19.761 2.414 1.00 4.21 H new ATOM 0 HH2 TRP A 9 -2.482 17.646 1.140 1.00 3.58 H new ATOM 152 N ARG A 10 -2.575 16.344 10.196 1.00 0.74 N ATOM 153 CA ARG A 10 -2.665 15.045 10.873 1.00 0.69 C ATOM 154 C ARG A 10 -3.951 14.953 11.702 1.00 0.70 C ATOM 155 O ARG A 10 -4.656 13.952 11.631 1.00 0.66 O ATOM 156 CB ARG A 10 -1.415 14.783 11.737 1.00 0.78 C ATOM 157 CG ARG A 10 -1.033 13.299 11.660 1.00 0.94 C ATOM 158 CD ARG A 10 0.043 12.904 12.678 1.00 1.41 C ATOM 159 NE ARG A 10 -0.544 12.635 14.002 1.00 1.80 N ATOM 160 CZ ARG A 10 0.124 12.389 15.124 1.00 2.36 C ATOM 161 NH1 ARG A 10 1.439 12.429 15.179 1.00 2.67 N ATOM 162 NH2 ARG A 10 -0.536 12.089 16.222 1.00 3.36 N ATOM 0 H ARG A 10 -1.794 16.922 10.506 1.00 0.74 H new ATOM 0 HA ARG A 10 -2.704 14.266 10.112 1.00 0.69 H new ATOM 0 HB2 ARG A 10 -0.586 15.400 11.390 1.00 0.78 H new ATOM 0 HB3 ARG A 10 -1.611 15.065 12.772 1.00 0.78 H new ATOM 0 HG2 ARG A 10 -1.923 12.691 11.826 1.00 0.94 H new ATOM 0 HG3 ARG A 10 -0.675 13.073 10.655 1.00 0.94 H new ATOM 0 HD2 ARG A 10 0.572 12.018 12.326 1.00 1.41 H new ATOM 0 HD3 ARG A 10 0.779 13.703 12.760 1.00 1.41 H new ATOM 0 HE ARG A 10 -1.562 12.638 14.063 1.00 1.80 H new ATOM 0 HH11 ARG A 10 1.978 12.654 14.343 1.00 2.67 H new ATOM 0 HH12 ARG A 10 1.919 12.235 16.058 1.00 2.67 H new ATOM 0 HH21 ARG A 10 -1.555 12.046 16.209 1.00 3.36 H new ATOM 0 HH22 ARG A 10 -0.029 11.899 17.086 1.00 3.36 H new ATOM 176 N ARG A 11 -4.308 16.027 12.415 1.00 0.79 N ATOM 177 CA ARG A 11 -5.527 16.150 13.234 1.00 0.85 C ATOM 178 C ARG A 11 -6.805 16.023 12.389 1.00 0.74 C ATOM 179 O ARG A 11 -7.734 15.320 12.791 1.00 0.77 O ATOM 180 CB ARG A 11 -5.434 17.484 14.002 1.00 1.01 C ATOM 181 CG ARG A 11 -6.641 17.870 14.872 1.00 1.42 C ATOM 182 CD ARG A 11 -7.695 18.710 14.130 1.00 2.48 C ATOM 183 NE ARG A 11 -8.684 19.281 15.063 1.00 2.69 N ATOM 184 CZ ARG A 11 -8.555 20.395 15.778 1.00 3.51 C ATOM 185 NH1 ARG A 11 -7.464 21.135 15.741 1.00 4.53 N ATOM 186 NH2 ARG A 11 -9.540 20.789 16.556 1.00 3.90 N ATOM 0 H ARG A 11 -3.735 16.870 12.441 1.00 0.79 H new ATOM 0 HA ARG A 11 -5.593 15.329 13.948 1.00 0.85 H new ATOM 0 HB2 ARG A 11 -4.552 17.446 14.642 1.00 1.01 H new ATOM 0 HB3 ARG A 11 -5.269 18.282 13.278 1.00 1.01 H new ATOM 0 HG2 ARG A 11 -7.112 16.962 15.248 1.00 1.42 H new ATOM 0 HG3 ARG A 11 -6.289 18.429 15.739 1.00 1.42 H new ATOM 0 HD2 ARG A 11 -7.202 19.514 13.583 1.00 2.48 H new ATOM 0 HD3 ARG A 11 -8.204 18.089 13.393 1.00 2.48 H new ATOM 0 HE ARG A 11 -9.559 18.768 15.171 1.00 2.69 H new ATOM 0 HH11 ARG A 11 -6.681 20.859 15.149 1.00 4.53 H new ATOM 0 HH12 ARG A 11 -7.404 21.983 16.305 1.00 4.53 H new ATOM 0 HH21 ARG A 11 -10.398 20.241 16.609 1.00 3.90 H new ATOM 0 HH22 ARG A 11 -9.445 21.643 17.106 1.00 3.90 H new ATOM 200 N THR A 12 -6.836 16.645 11.204 1.00 0.68 N ATOM 201 CA THR A 12 -7.942 16.538 10.230 1.00 0.61 C ATOM 202 C THR A 12 -8.069 15.114 9.712 1.00 0.52 C ATOM 203 O THR A 12 -9.173 14.576 9.658 1.00 0.53 O ATOM 204 CB THR A 12 -7.737 17.524 9.071 1.00 0.70 C ATOM 205 OG1 THR A 12 -7.735 18.832 9.598 1.00 0.85 O ATOM 206 CG2 THR A 12 -8.853 17.442 8.027 1.00 0.74 C ATOM 0 H THR A 12 -6.080 17.250 10.884 1.00 0.68 H new ATOM 0 HA THR A 12 -8.871 16.796 10.738 1.00 0.61 H new ATOM 0 HB THR A 12 -6.796 17.271 8.583 1.00 0.70 H new ATOM 0 HG1 THR A 12 -6.861 19.022 9.999 1.00 0.85 H new ATOM 0 HG21 THR A 12 -8.659 18.160 7.230 1.00 0.74 H new ATOM 0 HG22 THR A 12 -8.887 16.436 7.609 1.00 0.74 H new ATOM 0 HG23 THR A 12 -9.809 17.672 8.497 1.00 0.74 H new ATOM 214 N MET A 13 -6.944 14.479 9.376 1.00 0.48 N ATOM 215 CA MET A 13 -6.929 13.094 8.905 1.00 0.49 C ATOM 216 C MET A 13 -7.335 12.109 10.007 1.00 0.54 C ATOM 217 O MET A 13 -8.151 11.241 9.733 1.00 0.59 O ATOM 218 CB MET A 13 -5.580 12.757 8.241 1.00 0.47 C ATOM 219 CG MET A 13 -5.742 12.443 6.743 1.00 0.84 C ATOM 220 SD MET A 13 -6.664 13.620 5.703 1.00 1.23 S ATOM 221 CE MET A 13 -5.723 15.144 5.932 1.00 1.21 C ATOM 0 H MET A 13 -6.021 14.910 9.423 1.00 0.48 H new ATOM 0 HA MET A 13 -7.690 12.986 8.132 1.00 0.49 H new ATOM 0 HB2 MET A 13 -4.895 13.596 8.364 1.00 0.47 H new ATOM 0 HB3 MET A 13 -5.131 11.901 8.745 1.00 0.47 H new ATOM 0 HG2 MET A 13 -4.744 12.335 6.317 1.00 0.84 H new ATOM 0 HG3 MET A 13 -6.231 11.473 6.659 1.00 0.84 H new ATOM 0 HE1 MET A 13 -6.311 15.850 6.518 1.00 1.21 H new ATOM 0 HE2 MET A 13 -4.794 14.922 6.457 1.00 1.21 H new ATOM 0 HE3 MET A 13 -5.495 15.581 4.960 1.00 1.21 H new ATOM 231 N LEU A 14 -6.912 12.301 11.263 1.00 0.61 N ATOM 232 CA LEU A 14 -7.330 11.479 12.414 1.00 0.74 C ATOM 233 C LEU A 14 -8.860 11.485 12.543 1.00 0.65 C ATOM 234 O LEU A 14 -9.477 10.435 12.729 1.00 0.71 O ATOM 235 CB LEU A 14 -6.693 12.038 13.719 1.00 0.98 C ATOM 236 CG LEU A 14 -5.518 11.256 14.349 1.00 1.33 C ATOM 237 CD1 LEU A 14 -5.924 9.833 14.771 1.00 2.04 C ATOM 238 CD2 LEU A 14 -4.256 11.275 13.474 1.00 2.62 C ATOM 0 H LEU A 14 -6.259 13.043 11.516 1.00 0.61 H new ATOM 0 HA LEU A 14 -6.992 10.455 12.256 1.00 0.74 H new ATOM 0 HB2 LEU A 14 -6.347 13.051 13.514 1.00 0.98 H new ATOM 0 HB3 LEU A 14 -7.481 12.116 14.468 1.00 0.98 H new ATOM 0 HG LEU A 14 -5.255 11.785 15.265 1.00 1.33 H new ATOM 0 HD11 LEU A 14 -5.065 9.324 15.208 1.00 2.04 H new ATOM 0 HD12 LEU A 14 -6.727 9.887 15.507 1.00 2.04 H new ATOM 0 HD13 LEU A 14 -6.269 9.279 13.898 1.00 2.04 H new ATOM 0 HD21 LEU A 14 -3.464 10.711 13.966 1.00 2.62 H new ATOM 0 HD22 LEU A 14 -4.477 10.823 12.507 1.00 2.62 H new ATOM 0 HD23 LEU A 14 -3.930 12.305 13.327 1.00 2.62 H new ATOM 250 N LEU A 15 -9.476 12.663 12.393 1.00 0.57 N ATOM 251 CA LEU A 15 -10.925 12.854 12.460 1.00 0.55 C ATOM 252 C LEU A 15 -11.632 12.175 11.269 1.00 0.52 C ATOM 253 O LEU A 15 -12.624 11.472 11.465 1.00 0.57 O ATOM 254 CB LEU A 15 -11.169 14.376 12.587 1.00 0.58 C ATOM 255 CG LEU A 15 -12.464 14.851 13.275 1.00 0.64 C ATOM 256 CD1 LEU A 15 -13.711 14.519 12.457 1.00 0.72 C ATOM 257 CD2 LEU A 15 -12.619 14.291 14.698 1.00 0.78 C ATOM 0 H LEU A 15 -8.967 13.529 12.218 1.00 0.57 H new ATOM 0 HA LEU A 15 -11.367 12.366 13.329 1.00 0.55 H new ATOM 0 HB2 LEU A 15 -10.327 14.804 13.131 1.00 0.58 H new ATOM 0 HB3 LEU A 15 -11.150 14.801 11.584 1.00 0.58 H new ATOM 0 HG LEU A 15 -12.370 15.935 13.343 1.00 0.64 H new ATOM 0 HD11 LEU A 15 -14.597 14.874 12.984 1.00 0.72 H new ATOM 0 HD12 LEU A 15 -13.648 15.006 11.484 1.00 0.72 H new ATOM 0 HD13 LEU A 15 -13.779 13.440 12.319 1.00 0.72 H new ATOM 0 HD21 LEU A 15 -13.548 14.658 15.134 1.00 0.78 H new ATOM 0 HD22 LEU A 15 -12.641 13.202 14.660 1.00 0.78 H new ATOM 0 HD23 LEU A 15 -11.778 14.615 15.310 1.00 0.78 H new ATOM 269 N ARG A 16 -11.078 12.282 10.053 1.00 0.50 N ATOM 270 CA ARG A 16 -11.560 11.566 8.854 1.00 0.60 C ATOM 271 C ARG A 16 -11.459 10.040 8.996 1.00 0.68 C ATOM 272 O ARG A 16 -12.401 9.321 8.665 1.00 0.77 O ATOM 273 CB ARG A 16 -10.750 12.000 7.626 1.00 0.66 C ATOM 274 CG ARG A 16 -11.172 13.358 7.051 1.00 0.76 C ATOM 275 CD ARG A 16 -10.041 13.899 6.169 1.00 0.87 C ATOM 276 NE ARG A 16 -10.532 14.764 5.080 1.00 1.07 N ATOM 277 CZ ARG A 16 -10.349 14.567 3.776 1.00 1.87 C ATOM 278 NH1 ARG A 16 -9.815 13.467 3.287 1.00 3.43 N ATOM 279 NH2 ARG A 16 -10.714 15.500 2.923 1.00 2.36 N ATOM 0 H ARG A 16 -10.270 12.876 9.868 1.00 0.50 H new ATOM 0 HA ARG A 16 -12.612 11.824 8.736 1.00 0.60 H new ATOM 0 HB2 ARG A 16 -9.695 12.043 7.896 1.00 0.66 H new ATOM 0 HB3 ARG A 16 -10.850 11.241 6.850 1.00 0.66 H new ATOM 0 HG2 ARG A 16 -12.087 13.252 6.468 1.00 0.76 H new ATOM 0 HG3 ARG A 16 -11.388 14.058 7.858 1.00 0.76 H new ATOM 0 HD2 ARG A 16 -9.341 14.462 6.787 1.00 0.87 H new ATOM 0 HD3 ARG A 16 -9.487 13.063 5.742 1.00 0.87 H new ATOM 0 HE ARG A 16 -11.062 15.592 5.352 1.00 1.07 H new ATOM 0 HH11 ARG A 16 -9.521 12.720 3.916 1.00 3.43 H new ATOM 0 HH12 ARG A 16 -9.695 13.362 2.279 1.00 3.43 H new ATOM 0 HH21 ARG A 16 -11.133 16.366 3.263 1.00 2.36 H new ATOM 0 HH22 ARG A 16 -10.578 15.358 1.922 1.00 2.36 H new ATOM 293 N PHE A 17 -10.344 9.531 9.518 1.00 0.69 N ATOM 294 CA PHE A 17 -10.105 8.107 9.742 1.00 0.82 C ATOM 295 C PHE A 17 -11.025 7.537 10.834 1.00 0.88 C ATOM 296 O PHE A 17 -11.510 6.416 10.684 1.00 0.99 O ATOM 297 CB PHE A 17 -8.608 7.886 10.011 1.00 0.84 C ATOM 298 CG PHE A 17 -7.745 7.975 8.759 1.00 0.82 C ATOM 299 CD1 PHE A 17 -7.977 7.106 7.673 1.00 1.74 C ATOM 300 CD2 PHE A 17 -6.677 8.892 8.687 1.00 2.40 C ATOM 301 CE1 PHE A 17 -7.164 7.173 6.528 1.00 1.74 C ATOM 302 CE2 PHE A 17 -5.851 8.947 7.552 1.00 2.42 C ATOM 303 CZ PHE A 17 -6.102 8.094 6.465 1.00 0.84 C ATOM 0 H PHE A 17 -9.559 10.116 9.805 1.00 0.69 H new ATOM 0 HA PHE A 17 -10.365 7.544 8.846 1.00 0.82 H new ATOM 0 HB2 PHE A 17 -8.264 8.626 10.733 1.00 0.84 H new ATOM 0 HB3 PHE A 17 -8.470 6.906 10.469 1.00 0.84 H new ATOM 0 HD1 PHE A 17 -8.781 6.387 7.721 1.00 1.74 H new ATOM 0 HD2 PHE A 17 -6.491 9.561 9.515 1.00 2.40 H new ATOM 0 HE1 PHE A 17 -7.355 6.515 5.693 1.00 1.74 H new ATOM 0 HE2 PHE A 17 -5.026 9.643 7.516 1.00 2.42 H new ATOM 0 HZ PHE A 17 -5.481 8.145 5.583 1.00 0.84 H new ATOM 313 N GLN A 18 -11.357 8.320 11.867 1.00 0.82 N ATOM 314 CA GLN A 18 -12.414 7.975 12.829 1.00 0.85 C ATOM 315 C GLN A 18 -13.823 7.997 12.187 1.00 0.83 C ATOM 316 O GLN A 18 -14.710 7.270 12.634 1.00 0.94 O ATOM 317 CB GLN A 18 -12.336 8.934 14.034 1.00 0.84 C ATOM 318 CG GLN A 18 -13.007 8.354 15.292 1.00 1.14 C ATOM 319 CD GLN A 18 -13.278 9.423 16.351 1.00 1.88 C ATOM 320 OE1 GLN A 18 -14.359 9.997 16.428 1.00 2.28 O ATOM 321 NE2 GLN A 18 -12.324 9.749 17.202 1.00 3.27 N ATOM 0 H GLN A 18 -10.901 9.212 12.061 1.00 0.82 H new ATOM 0 HA GLN A 18 -12.249 6.952 13.167 1.00 0.85 H new ATOM 0 HB2 GLN A 18 -11.291 9.154 14.252 1.00 0.84 H new ATOM 0 HB3 GLN A 18 -12.813 9.879 13.774 1.00 0.84 H new ATOM 0 HG2 GLN A 18 -13.946 7.876 15.013 1.00 1.14 H new ATOM 0 HG3 GLN A 18 -12.369 7.579 15.717 1.00 1.14 H new ATOM 0 HE21 GLN A 18 -11.418 9.284 17.155 1.00 3.27 H new ATOM 0 HE22 GLN A 18 -12.493 10.466 17.907 1.00 3.27 H new ATOM 330 N ARG A 19 -14.040 8.797 11.129 1.00 0.77 N ATOM 331 CA ARG A 19 -15.322 8.888 10.407 1.00 0.85 C ATOM 332 C ARG A 19 -15.633 7.683 9.506 1.00 1.05 C ATOM 333 O ARG A 19 -16.809 7.455 9.210 1.00 1.21 O ATOM 334 CB ARG A 19 -15.387 10.182 9.560 1.00 0.89 C ATOM 335 CG ARG A 19 -16.421 11.171 10.109 1.00 1.02 C ATOM 336 CD ARG A 19 -15.882 11.897 11.345 1.00 1.08 C ATOM 337 NE ARG A 19 -16.972 12.431 12.176 1.00 1.33 N ATOM 338 CZ ARG A 19 -17.576 11.799 13.177 1.00 2.09 C ATOM 339 NH1 ARG A 19 -17.229 10.584 13.554 1.00 3.02 N ATOM 340 NH2 ARG A 19 -18.558 12.391 13.821 1.00 2.52 N ATOM 0 H ARG A 19 -13.319 9.408 10.745 1.00 0.77 H new ATOM 0 HA ARG A 19 -16.081 8.900 11.189 1.00 0.85 H new ATOM 0 HB2 ARG A 19 -14.405 10.655 9.543 1.00 0.89 H new ATOM 0 HB3 ARG A 19 -15.637 9.930 8.530 1.00 0.89 H new ATOM 0 HG2 ARG A 19 -16.679 11.898 9.339 1.00 1.02 H new ATOM 0 HG3 ARG A 19 -17.338 10.640 10.365 1.00 1.02 H new ATOM 0 HD2 ARG A 19 -15.276 11.210 11.936 1.00 1.08 H new ATOM 0 HD3 ARG A 19 -15.228 12.712 11.033 1.00 1.08 H new ATOM 0 HE ARG A 19 -17.295 13.375 11.964 1.00 1.33 H new ATOM 0 HH11 ARG A 19 -16.473 10.097 13.072 1.00 3.02 H new ATOM 0 HH12 ARG A 19 -17.716 10.131 14.327 1.00 3.02 H new ATOM 0 HH21 ARG A 19 -18.852 13.330 13.551 1.00 2.52 H new ATOM 0 HH22 ARG A 19 -19.026 11.911 14.590 1.00 2.52 H new ATOM 354 N MET A 20 -14.623 6.933 9.047 1.00 1.08 N ATOM 355 CA MET A 20 -14.794 5.832 8.085 1.00 1.26 C ATOM 356 C MET A 20 -15.811 4.789 8.566 1.00 1.43 C ATOM 357 O MET A 20 -15.665 4.225 9.652 1.00 2.51 O ATOM 358 CB MET A 20 -13.452 5.149 7.777 1.00 1.27 C ATOM 359 CG MET A 20 -12.422 6.123 7.201 1.00 1.17 C ATOM 360 SD MET A 20 -12.924 6.951 5.680 1.00 1.15 S ATOM 361 CE MET A 20 -11.448 7.961 5.474 1.00 0.86 C ATOM 0 H MET A 20 -13.654 7.073 9.334 1.00 1.08 H new ATOM 0 HA MET A 20 -15.183 6.281 7.171 1.00 1.26 H new ATOM 0 HB2 MET A 20 -13.056 4.703 8.689 1.00 1.27 H new ATOM 0 HB3 MET A 20 -13.615 4.336 7.070 1.00 1.27 H new ATOM 0 HG2 MET A 20 -12.200 6.880 7.953 1.00 1.17 H new ATOM 0 HG3 MET A 20 -11.496 5.580 7.013 1.00 1.17 H new ATOM 0 HE1 MET A 20 -11.627 8.715 4.707 1.00 0.86 H new ATOM 0 HE2 MET A 20 -11.209 8.453 6.417 1.00 0.86 H new ATOM 0 HE3 MET A 20 -10.613 7.328 5.173 1.00 0.86 H new ATOM 371 N GLU A 21 -16.831 4.525 7.748 1.00 1.08 N ATOM 372 CA GLU A 21 -17.906 3.577 8.059 1.00 1.13 C ATOM 373 C GLU A 21 -17.570 2.144 7.609 1.00 1.25 C ATOM 374 O GLU A 21 -18.130 1.189 8.155 1.00 1.33 O ATOM 375 CB GLU A 21 -19.218 4.068 7.417 1.00 1.39 C ATOM 376 CG GLU A 21 -20.454 3.381 8.014 1.00 2.30 C ATOM 377 CD GLU A 21 -21.754 4.044 7.534 1.00 2.79 C ATOM 378 OE1 GLU A 21 -22.187 5.049 8.147 1.00 2.43 O ATOM 379 OE2 GLU A 21 -22.362 3.557 6.551 1.00 4.16 O ATOM 0 H GLU A 21 -16.937 4.970 6.836 1.00 1.08 H new ATOM 0 HA GLU A 21 -18.023 3.537 9.142 1.00 1.13 H new ATOM 0 HB2 GLU A 21 -19.304 5.146 7.552 1.00 1.39 H new ATOM 0 HB3 GLU A 21 -19.186 3.883 6.343 1.00 1.39 H new ATOM 0 HG2 GLU A 21 -20.457 2.328 7.734 1.00 2.30 H new ATOM 0 HG3 GLU A 21 -20.404 3.421 9.102 1.00 2.30 H new ATOM 386 N THR A 22 -16.656 1.983 6.636 1.00 1.31 N ATOM 387 CA THR A 22 -16.265 0.683 6.067 1.00 1.48 C ATOM 388 C THR A 22 -14.769 0.613 5.796 1.00 1.40 C ATOM 389 O THR A 22 -14.129 1.618 5.479 1.00 1.25 O ATOM 390 CB THR A 22 -17.045 0.352 4.785 1.00 1.71 C ATOM 391 OG1 THR A 22 -16.657 1.213 3.741 1.00 1.69 O ATOM 392 CG2 THR A 22 -18.559 0.453 4.968 1.00 1.84 C ATOM 0 H THR A 22 -16.159 2.769 6.216 1.00 1.31 H new ATOM 0 HA THR A 22 -16.517 -0.064 6.819 1.00 1.48 H new ATOM 0 HB THR A 22 -16.805 -0.682 4.539 1.00 1.71 H new ATOM 0 HG1 THR A 22 -17.160 0.991 2.930 1.00 1.69 H new ATOM 0 HG21 THR A 22 -19.056 0.208 4.029 1.00 1.84 H new ATOM 0 HG22 THR A 22 -18.879 -0.245 5.741 1.00 1.84 H new ATOM 0 HG23 THR A 22 -18.823 1.468 5.264 1.00 1.84 H new ATOM 400 N ALA A 23 -14.212 -0.599 5.862 1.00 1.53 N ATOM 401 CA ALA A 23 -12.825 -0.878 5.475 1.00 1.52 C ATOM 402 C ALA A 23 -12.553 -0.485 4.011 1.00 1.52 C ATOM 403 O ALA A 23 -11.451 -0.057 3.671 1.00 1.44 O ATOM 404 CB ALA A 23 -12.561 -2.371 5.716 1.00 1.73 C ATOM 0 H ALA A 23 -14.716 -1.423 6.189 1.00 1.53 H new ATOM 0 HA ALA A 23 -12.145 -0.277 6.079 1.00 1.52 H new ATOM 0 HB1 ALA A 23 -11.535 -2.609 5.436 1.00 1.73 H new ATOM 0 HB2 ALA A 23 -12.713 -2.602 6.770 1.00 1.73 H new ATOM 0 HB3 ALA A 23 -13.248 -2.964 5.112 1.00 1.73 H new ATOM 410 N GLU A 24 -13.582 -0.575 3.164 1.00 1.64 N ATOM 411 CA GLU A 24 -13.559 -0.098 1.785 1.00 1.65 C ATOM 412 C GLU A 24 -13.350 1.423 1.731 1.00 1.45 C ATOM 413 O GLU A 24 -12.484 1.891 0.997 1.00 1.36 O ATOM 414 CB GLU A 24 -14.827 -0.529 1.028 1.00 1.88 C ATOM 415 CG GLU A 24 -15.125 -2.030 1.172 1.00 2.21 C ATOM 416 CD GLU A 24 -16.251 -2.472 0.226 1.00 2.32 C ATOM 417 OE1 GLU A 24 -17.443 -2.253 0.552 1.00 2.41 O ATOM 418 OE2 GLU A 24 -15.955 -3.059 -0.842 1.00 3.19 O ATOM 0 H GLU A 24 -14.474 -0.992 3.428 1.00 1.64 H new ATOM 0 HA GLU A 24 -12.710 -0.560 1.281 1.00 1.65 H new ATOM 0 HB2 GLU A 24 -15.678 0.043 1.398 1.00 1.88 H new ATOM 0 HB3 GLU A 24 -14.715 -0.285 -0.028 1.00 1.88 H new ATOM 0 HG2 GLU A 24 -14.223 -2.603 0.959 1.00 2.21 H new ATOM 0 HG3 GLU A 24 -15.406 -2.249 2.202 1.00 2.21 H new ATOM 425 N GLU A 25 -14.069 2.199 2.557 1.00 1.40 N ATOM 426 CA GLU A 25 -13.893 3.654 2.661 1.00 1.27 C ATOM 427 C GLU A 25 -12.478 4.023 3.132 1.00 1.10 C ATOM 428 O GLU A 25 -11.883 4.959 2.594 1.00 1.03 O ATOM 429 CB GLU A 25 -14.926 4.265 3.624 1.00 1.41 C ATOM 430 CG GLU A 25 -15.272 5.714 3.249 1.00 1.49 C ATOM 431 CD GLU A 25 -16.278 6.361 4.222 1.00 2.11 C ATOM 432 OE1 GLU A 25 -16.727 5.708 5.195 1.00 2.94 O ATOM 433 OE2 GLU A 25 -16.643 7.540 3.995 1.00 2.58 O ATOM 0 H GLU A 25 -14.793 1.831 3.175 1.00 1.40 H new ATOM 0 HA GLU A 25 -14.044 4.063 1.662 1.00 1.27 H new ATOM 0 HB2 GLU A 25 -15.833 3.661 3.614 1.00 1.41 H new ATOM 0 HB3 GLU A 25 -14.535 4.237 4.641 1.00 1.41 H new ATOM 0 HG2 GLU A 25 -14.358 6.308 3.231 1.00 1.49 H new ATOM 0 HG3 GLU A 25 -15.685 5.734 2.240 1.00 1.49 H new ATOM 440 N VAL A 26 -11.923 3.264 4.087 1.00 1.06 N ATOM 441 CA VAL A 26 -10.565 3.498 4.616 1.00 0.91 C ATOM 442 C VAL A 26 -9.539 3.423 3.485 1.00 0.90 C ATOM 443 O VAL A 26 -8.735 4.344 3.340 1.00 0.75 O ATOM 444 CB VAL A 26 -10.161 2.504 5.737 1.00 0.97 C ATOM 445 CG1 VAL A 26 -8.717 2.741 6.214 1.00 0.87 C ATOM 446 CG2 VAL A 26 -11.071 2.586 6.973 1.00 1.01 C ATOM 0 H VAL A 26 -12.399 2.471 4.516 1.00 1.06 H new ATOM 0 HA VAL A 26 -10.578 4.495 5.057 1.00 0.91 H new ATOM 0 HB VAL A 26 -10.261 1.519 5.282 1.00 0.97 H new ATOM 0 HG11 VAL A 26 -8.471 2.026 6.999 1.00 0.87 H new ATOM 0 HG12 VAL A 26 -8.031 2.611 5.377 1.00 0.87 H new ATOM 0 HG13 VAL A 26 -8.625 3.754 6.605 1.00 0.87 H new ATOM 0 HG21 VAL A 26 -10.736 1.866 7.720 1.00 1.01 H new ATOM 0 HG22 VAL A 26 -11.026 3.591 7.392 1.00 1.01 H new ATOM 0 HG23 VAL A 26 -12.097 2.359 6.685 1.00 1.01 H new ATOM 456 N TYR A 27 -9.581 2.366 2.663 1.00 1.09 N ATOM 457 CA TYR A 27 -8.628 2.214 1.562 1.00 1.14 C ATOM 458 C TYR A 27 -8.957 3.160 0.384 1.00 1.11 C ATOM 459 O TYR A 27 -8.064 3.661 -0.297 1.00 1.07 O ATOM 460 CB TYR A 27 -8.470 0.740 1.147 1.00 1.36 C ATOM 461 CG TYR A 27 -9.278 0.279 -0.048 1.00 1.51 C ATOM 462 CD1 TYR A 27 -8.917 0.707 -1.339 1.00 2.02 C ATOM 463 CD2 TYR A 27 -10.375 -0.581 0.123 1.00 2.18 C ATOM 464 CE1 TYR A 27 -9.688 0.332 -2.454 1.00 2.15 C ATOM 465 CE2 TYR A 27 -11.163 -0.955 -0.984 1.00 2.31 C ATOM 466 CZ TYR A 27 -10.825 -0.490 -2.277 1.00 1.85 C ATOM 467 OH TYR A 27 -11.580 -0.841 -3.355 1.00 2.04 O ATOM 0 H TYR A 27 -10.261 1.610 2.741 1.00 1.09 H new ATOM 0 HA TYR A 27 -7.647 2.526 1.922 1.00 1.14 H new ATOM 0 HB2 TYR A 27 -7.416 0.557 0.936 1.00 1.36 H new ATOM 0 HB3 TYR A 27 -8.738 0.116 2.000 1.00 1.36 H new ATOM 0 HD1 TYR A 27 -8.043 1.327 -1.474 1.00 2.02 H new ATOM 0 HD2 TYR A 27 -10.616 -0.957 1.106 1.00 2.18 H new ATOM 0 HE1 TYR A 27 -9.413 0.671 -3.442 1.00 2.15 H new ATOM 0 HE2 TYR A 27 -12.022 -1.595 -0.846 1.00 2.31 H new ATOM 0 HH TYR A 27 -12.323 -1.409 -3.063 1.00 2.04 H new ATOM 477 N HIS A 28 -10.237 3.424 0.136 1.00 1.18 N ATOM 478 CA HIS A 28 -10.703 4.339 -0.906 1.00 1.21 C ATOM 479 C HIS A 28 -10.254 5.788 -0.661 1.00 1.01 C ATOM 480 O HIS A 28 -9.809 6.429 -1.606 1.00 0.98 O ATOM 481 CB HIS A 28 -12.229 4.217 -1.010 1.00 1.39 C ATOM 482 CG HIS A 28 -12.900 5.167 -1.968 1.00 1.45 C ATOM 483 ND1 HIS A 28 -14.005 5.937 -1.687 1.00 1.53 N ATOM 484 CD2 HIS A 28 -12.591 5.376 -3.287 1.00 1.47 C ATOM 485 CE1 HIS A 28 -14.359 6.585 -2.807 1.00 1.60 C ATOM 486 NE2 HIS A 28 -13.526 6.276 -3.818 1.00 1.56 N ATOM 0 H HIS A 28 -10.998 2.999 0.665 1.00 1.18 H new ATOM 0 HA HIS A 28 -10.249 4.058 -1.856 1.00 1.21 H new ATOM 0 HB2 HIS A 28 -12.473 3.197 -1.308 1.00 1.39 H new ATOM 0 HB3 HIS A 28 -12.655 4.370 -0.018 1.00 1.39 H new ATOM 0 HD2 HIS A 28 -11.770 4.925 -3.824 1.00 1.47 H new ATOM 0 HE1 HIS A 28 -15.197 7.262 -2.886 1.00 1.60 H new ATOM 0 HE2 HIS A 28 -13.567 6.625 -4.775 1.00 1.56 H new ATOM 494 N GLU A 29 -10.331 6.327 0.565 1.00 0.88 N ATOM 495 CA GLU A 29 -9.897 7.715 0.815 1.00 0.75 C ATOM 496 C GLU A 29 -8.392 7.914 0.553 1.00 0.61 C ATOM 497 O GLU A 29 -7.967 8.898 -0.058 1.00 0.62 O ATOM 498 CB GLU A 29 -10.284 8.151 2.234 1.00 0.75 C ATOM 499 CG GLU A 29 -10.206 9.681 2.411 1.00 1.12 C ATOM 500 CD GLU A 29 -9.161 10.131 3.444 1.00 1.58 C ATOM 501 OE1 GLU A 29 -7.968 9.779 3.305 1.00 3.21 O ATOM 502 OE2 GLU A 29 -9.534 10.902 4.358 1.00 2.38 O ATOM 0 H GLU A 29 -10.683 5.836 1.387 1.00 0.88 H new ATOM 0 HA GLU A 29 -10.420 8.355 0.104 1.00 0.75 H new ATOM 0 HB2 GLU A 29 -11.296 7.812 2.454 1.00 0.75 H new ATOM 0 HB3 GLU A 29 -9.623 7.669 2.954 1.00 0.75 H new ATOM 0 HG2 GLU A 29 -9.973 10.138 1.449 1.00 1.12 H new ATOM 0 HG3 GLU A 29 -11.185 10.053 2.712 1.00 1.12 H new ATOM 509 N ILE A 30 -7.574 6.947 0.972 1.00 0.59 N ATOM 510 CA ILE A 30 -6.113 6.980 0.770 1.00 0.66 C ATOM 511 C ILE A 30 -5.723 6.713 -0.694 1.00 0.76 C ATOM 512 O ILE A 30 -4.763 7.302 -1.191 1.00 0.76 O ATOM 513 CB ILE A 30 -5.405 6.066 1.793 1.00 0.81 C ATOM 514 CG1 ILE A 30 -5.812 4.597 1.617 1.00 0.95 C ATOM 515 CG2 ILE A 30 -5.718 6.583 3.211 1.00 0.82 C ATOM 516 CD1 ILE A 30 -5.330 3.650 2.711 1.00 1.19 C ATOM 0 H ILE A 30 -7.900 6.114 1.463 1.00 0.59 H new ATOM 0 HA ILE A 30 -5.756 7.991 0.965 1.00 0.66 H new ATOM 0 HB ILE A 30 -4.328 6.101 1.627 1.00 0.81 H new ATOM 0 HG12 ILE A 30 -6.899 4.542 1.566 1.00 0.95 H new ATOM 0 HG13 ILE A 30 -5.430 4.244 0.659 1.00 0.95 H new ATOM 0 HG21 ILE A 30 -5.225 5.948 3.947 1.00 0.82 H new ATOM 0 HG22 ILE A 30 -5.356 7.606 3.314 1.00 0.82 H new ATOM 0 HG23 ILE A 30 -6.795 6.561 3.377 1.00 0.82 H new ATOM 0 HD11 ILE A 30 -5.671 2.638 2.492 1.00 1.19 H new ATOM 0 HD12 ILE A 30 -4.241 3.666 2.752 1.00 1.19 H new ATOM 0 HD13 ILE A 30 -5.734 3.969 3.672 1.00 1.19 H new ATOM 528 N GLU A 31 -6.518 5.919 -1.415 1.00 0.86 N ATOM 529 CA GLU A 31 -6.476 5.804 -2.873 1.00 0.90 C ATOM 530 C GLU A 31 -6.902 7.104 -3.564 1.00 0.85 C ATOM 531 O GLU A 31 -6.291 7.481 -4.556 1.00 0.81 O ATOM 532 CB GLU A 31 -7.372 4.637 -3.304 1.00 1.01 C ATOM 533 CG GLU A 31 -7.692 4.574 -4.797 1.00 1.84 C ATOM 534 CD GLU A 31 -8.604 3.390 -5.127 1.00 2.36 C ATOM 535 OE1 GLU A 31 -9.838 3.544 -4.994 1.00 2.85 O ATOM 536 OE2 GLU A 31 -8.097 2.334 -5.572 1.00 3.40 O ATOM 0 H GLU A 31 -7.227 5.323 -0.989 1.00 0.86 H new ATOM 0 HA GLU A 31 -5.447 5.613 -3.178 1.00 0.90 H new ATOM 0 HB2 GLU A 31 -6.889 3.704 -3.013 1.00 1.01 H new ATOM 0 HB3 GLU A 31 -8.309 4.697 -2.751 1.00 1.01 H new ATOM 0 HG2 GLU A 31 -8.173 5.502 -5.106 1.00 1.84 H new ATOM 0 HG3 GLU A 31 -6.766 4.490 -5.365 1.00 1.84 H new ATOM 543 N LEU A 32 -7.915 7.824 -3.077 1.00 0.84 N ATOM 544 CA LEU A 32 -8.325 9.098 -3.667 1.00 0.82 C ATOM 545 C LEU A 32 -7.199 10.134 -3.585 1.00 0.69 C ATOM 546 O LEU A 32 -7.023 10.888 -4.535 1.00 0.73 O ATOM 547 CB LEU A 32 -9.617 9.605 -2.996 1.00 0.85 C ATOM 548 CG LEU A 32 -10.915 8.965 -3.523 1.00 1.04 C ATOM 549 CD1 LEU A 32 -12.077 9.407 -2.620 1.00 1.15 C ATOM 550 CD2 LEU A 32 -11.210 9.374 -4.975 1.00 1.17 C ATOM 0 H LEU A 32 -8.470 7.542 -2.269 1.00 0.84 H new ATOM 0 HA LEU A 32 -8.535 8.939 -4.725 1.00 0.82 H new ATOM 0 HB2 LEU A 32 -9.548 9.422 -1.924 1.00 0.85 H new ATOM 0 HB3 LEU A 32 -9.680 10.685 -3.132 1.00 0.85 H new ATOM 0 HG LEU A 32 -10.797 7.882 -3.506 1.00 1.04 H new ATOM 0 HD11 LEU A 32 -13.006 8.963 -2.978 1.00 1.15 H new ATOM 0 HD12 LEU A 32 -11.889 9.079 -1.598 1.00 1.15 H new ATOM 0 HD13 LEU A 32 -12.162 10.493 -2.642 1.00 1.15 H new ATOM 0 HD21 LEU A 32 -12.134 8.900 -5.306 1.00 1.17 H new ATOM 0 HD22 LEU A 32 -11.317 10.457 -5.033 1.00 1.17 H new ATOM 0 HD23 LEU A 32 -10.389 9.055 -5.617 1.00 1.17 H new ATOM 562 N GLN A 33 -6.376 10.127 -2.532 1.00 0.60 N ATOM 563 CA GLN A 33 -5.157 10.942 -2.492 1.00 0.55 C ATOM 564 C GLN A 33 -4.153 10.526 -3.589 1.00 0.53 C ATOM 565 O GLN A 33 -3.511 11.395 -4.174 1.00 0.64 O ATOM 566 CB GLN A 33 -4.542 10.873 -1.082 1.00 0.57 C ATOM 567 CG GLN A 33 -3.445 11.932 -0.874 1.00 0.70 C ATOM 568 CD GLN A 33 -2.850 11.876 0.533 1.00 1.73 C ATOM 569 OE1 GLN A 33 -3.031 12.762 1.358 1.00 2.17 O ATOM 570 NE2 GLN A 33 -2.121 10.832 0.868 1.00 3.46 N ATOM 0 H GLN A 33 -6.532 9.565 -1.695 1.00 0.60 H new ATOM 0 HA GLN A 33 -5.418 11.979 -2.704 1.00 0.55 H new ATOM 0 HB2 GLN A 33 -5.326 11.014 -0.338 1.00 0.57 H new ATOM 0 HB3 GLN A 33 -4.122 9.880 -0.919 1.00 0.57 H new ATOM 0 HG2 GLN A 33 -2.653 11.782 -1.608 1.00 0.70 H new ATOM 0 HG3 GLN A 33 -3.861 12.924 -1.052 1.00 0.70 H new ATOM 0 HE21 GLN A 33 -1.960 10.085 0.193 1.00 3.46 H new ATOM 0 HE22 GLN A 33 -1.717 10.771 1.803 1.00 3.46 H new ATOM 579 N ALA A 34 -4.057 9.236 -3.936 1.00 0.52 N ATOM 580 CA ALA A 34 -3.267 8.756 -5.078 1.00 0.54 C ATOM 581 C ALA A 34 -3.876 9.185 -6.433 1.00 0.61 C ATOM 582 O ALA A 34 -3.153 9.642 -7.322 1.00 0.64 O ATOM 583 CB ALA A 34 -3.110 7.229 -4.966 1.00 0.62 C ATOM 0 H ALA A 34 -4.530 8.489 -3.427 1.00 0.52 H new ATOM 0 HA ALA A 34 -2.280 9.218 -5.047 1.00 0.54 H new ATOM 0 HB1 ALA A 34 -2.525 6.861 -5.809 1.00 0.62 H new ATOM 0 HB2 ALA A 34 -2.600 6.983 -4.035 1.00 0.62 H new ATOM 0 HB3 ALA A 34 -4.094 6.760 -4.975 1.00 0.62 H new ATOM 589 N GLN A 35 -5.204 9.089 -6.585 1.00 0.68 N ATOM 590 CA GLN A 35 -5.924 9.529 -7.789 1.00 0.78 C ATOM 591 C GLN A 35 -5.820 11.049 -8.001 1.00 0.79 C ATOM 592 O GLN A 35 -5.709 11.504 -9.138 1.00 0.86 O ATOM 593 CB GLN A 35 -7.417 9.144 -7.733 1.00 0.90 C ATOM 594 CG GLN A 35 -7.709 7.635 -7.631 1.00 1.02 C ATOM 595 CD GLN A 35 -9.129 7.245 -8.070 1.00 1.88 C ATOM 596 OE1 GLN A 35 -9.719 7.810 -8.983 1.00 2.30 O ATOM 597 NE2 GLN A 35 -9.742 6.254 -7.453 1.00 2.62 N ATOM 0 H GLN A 35 -5.816 8.699 -5.868 1.00 0.68 H new ATOM 0 HA GLN A 35 -5.446 9.017 -8.624 1.00 0.78 H new ATOM 0 HB2 GLN A 35 -7.871 9.643 -6.877 1.00 0.90 H new ATOM 0 HB3 GLN A 35 -7.908 9.532 -8.625 1.00 0.90 H new ATOM 0 HG2 GLN A 35 -6.988 7.093 -8.243 1.00 1.02 H new ATOM 0 HG3 GLN A 35 -7.557 7.314 -6.600 1.00 1.02 H new ATOM 0 HE21 GLN A 35 -9.277 5.764 -6.689 1.00 2.62 H new ATOM 0 HE22 GLN A 35 -10.681 5.978 -7.740 1.00 2.62 H new ATOM 606 N GLN A 36 -5.833 11.839 -6.921 1.00 0.76 N ATOM 607 CA GLN A 36 -5.828 13.308 -6.969 1.00 0.88 C ATOM 608 C GLN A 36 -4.506 13.870 -7.505 1.00 0.83 C ATOM 609 O GLN A 36 -4.485 14.970 -8.061 1.00 0.97 O ATOM 610 CB GLN A 36 -6.138 13.871 -5.570 1.00 0.97 C ATOM 611 CG GLN A 36 -7.644 13.911 -5.258 1.00 1.41 C ATOM 612 CD GLN A 36 -8.382 15.014 -6.022 1.00 1.83 C ATOM 613 OE1 GLN A 36 -8.379 16.179 -5.643 1.00 1.64 O ATOM 614 NE2 GLN A 36 -9.031 14.707 -7.128 1.00 2.98 N ATOM 0 H GLN A 36 -5.848 11.469 -5.971 1.00 0.76 H new ATOM 0 HA GLN A 36 -6.604 13.623 -7.667 1.00 0.88 H new ATOM 0 HB2 GLN A 36 -5.633 13.263 -4.820 1.00 0.97 H new ATOM 0 HB3 GLN A 36 -5.729 14.878 -5.491 1.00 0.97 H new ATOM 0 HG2 GLN A 36 -8.087 12.946 -5.505 1.00 1.41 H new ATOM 0 HG3 GLN A 36 -7.784 14.061 -4.188 1.00 1.41 H new ATOM 0 HE21 GLN A 36 -9.045 13.743 -7.460 1.00 2.98 H new ATOM 0 HE22 GLN A 36 -9.519 15.434 -7.652 1.00 2.98 H new ATOM 623 N LEU A 37 -3.414 13.115 -7.362 1.00 0.69 N ATOM 624 CA LEU A 37 -2.097 13.447 -7.906 1.00 0.71 C ATOM 625 C LEU A 37 -1.857 12.832 -9.300 1.00 0.72 C ATOM 626 O LEU A 37 -0.795 13.057 -9.879 1.00 0.81 O ATOM 627 CB LEU A 37 -1.041 12.993 -6.882 1.00 0.67 C ATOM 628 CG LEU A 37 -1.198 13.587 -5.465 1.00 0.71 C ATOM 629 CD1 LEU A 37 -0.118 13.006 -4.544 1.00 0.94 C ATOM 630 CD2 LEU A 37 -1.146 15.121 -5.455 1.00 1.19 C ATOM 0 H LEU A 37 -3.423 12.232 -6.851 1.00 0.69 H new ATOM 0 HA LEU A 37 -2.028 14.524 -8.062 1.00 0.71 H new ATOM 0 HB2 LEU A 37 -1.074 11.906 -6.808 1.00 0.67 H new ATOM 0 HB3 LEU A 37 -0.054 13.257 -7.261 1.00 0.67 H new ATOM 0 HG LEU A 37 -2.187 13.309 -5.100 1.00 0.71 H new ATOM 0 HD11 LEU A 37 -0.229 13.425 -3.544 1.00 0.94 H new ATOM 0 HD12 LEU A 37 -0.224 11.922 -4.497 1.00 0.94 H new ATOM 0 HD13 LEU A 37 0.868 13.257 -4.936 1.00 0.94 H new ATOM 0 HD21 LEU A 37 -1.262 15.482 -4.433 1.00 1.19 H new ATOM 0 HD22 LEU A 37 -0.187 15.455 -5.852 1.00 1.19 H new ATOM 0 HD23 LEU A 37 -1.952 15.516 -6.073 1.00 1.19 H new ATOM 642 N GLU A 38 -2.830 12.084 -9.840 1.00 0.70 N ATOM 643 CA GLU A 38 -2.840 11.457 -11.173 1.00 0.76 C ATOM 644 C GLU A 38 -1.769 10.355 -11.334 1.00 0.74 C ATOM 645 O GLU A 38 -1.136 10.239 -12.384 1.00 0.91 O ATOM 646 CB GLU A 38 -2.768 12.503 -12.310 1.00 0.88 C ATOM 647 CG GLU A 38 -3.893 13.543 -12.260 1.00 1.83 C ATOM 648 CD GLU A 38 -3.869 14.426 -13.517 1.00 1.91 C ATOM 649 OE1 GLU A 38 -2.976 15.299 -13.638 1.00 2.47 O ATOM 650 OE2 GLU A 38 -4.749 14.260 -14.396 1.00 2.23 O ATOM 0 H GLU A 38 -3.688 11.887 -9.325 1.00 0.70 H new ATOM 0 HA GLU A 38 -3.804 10.955 -11.258 1.00 0.76 H new ATOM 0 HB2 GLU A 38 -1.808 13.016 -12.260 1.00 0.88 H new ATOM 0 HB3 GLU A 38 -2.804 11.987 -13.270 1.00 0.88 H new ATOM 0 HG2 GLU A 38 -4.857 13.040 -12.180 1.00 1.83 H new ATOM 0 HG3 GLU A 38 -3.783 14.164 -11.371 1.00 1.83 H new ATOM 657 N TYR A 39 -1.527 9.553 -10.286 1.00 0.62 N ATOM 658 CA TYR A 39 -0.437 8.567 -10.256 1.00 0.60 C ATOM 659 C TYR A 39 -0.543 7.498 -11.365 1.00 0.57 C ATOM 660 O TYR A 39 0.302 7.444 -12.256 1.00 0.60 O ATOM 661 CB TYR A 39 -0.360 7.944 -8.847 1.00 0.60 C ATOM 662 CG TYR A 39 0.627 8.620 -7.907 1.00 0.65 C ATOM 663 CD1 TYR A 39 0.697 10.025 -7.834 1.00 1.94 C ATOM 664 CD2 TYR A 39 1.505 7.842 -7.125 1.00 1.68 C ATOM 665 CE1 TYR A 39 1.644 10.650 -7.005 1.00 2.11 C ATOM 666 CE2 TYR A 39 2.456 8.460 -6.288 1.00 1.68 C ATOM 667 CZ TYR A 39 2.529 9.871 -6.235 1.00 1.06 C ATOM 668 OH TYR A 39 3.455 10.491 -5.454 1.00 1.35 O ATOM 0 H TYR A 39 -2.085 9.571 -9.432 1.00 0.62 H new ATOM 0 HA TYR A 39 0.496 9.089 -10.470 1.00 0.60 H new ATOM 0 HB2 TYR A 39 -1.352 7.976 -8.395 1.00 0.60 H new ATOM 0 HB3 TYR A 39 -0.088 6.893 -8.943 1.00 0.60 H new ATOM 0 HD1 TYR A 39 0.018 10.627 -8.420 1.00 1.94 H new ATOM 0 HD2 TYR A 39 1.449 6.764 -7.168 1.00 1.68 H new ATOM 0 HE1 TYR A 39 1.693 11.728 -6.958 1.00 2.11 H new ATOM 0 HE2 TYR A 39 3.125 7.859 -5.690 1.00 1.68 H new ATOM 0 HH TYR A 39 3.107 11.359 -5.160 1.00 1.35 H new ATOM 678 N ASP A 40 -1.575 6.656 -11.312 1.00 0.55 N ATOM 679 CA ASP A 40 -1.737 5.406 -12.076 1.00 0.49 C ATOM 680 C ASP A 40 -2.832 4.594 -11.379 1.00 0.48 C ATOM 681 O ASP A 40 -3.992 4.619 -11.788 1.00 0.58 O ATOM 682 CB ASP A 40 -0.416 4.589 -12.149 1.00 0.57 C ATOM 683 CG ASP A 40 0.329 4.558 -13.491 1.00 1.35 C ATOM 684 OD1 ASP A 40 -0.094 5.200 -14.482 1.00 2.87 O ATOM 685 OD2 ASP A 40 1.344 3.825 -13.537 1.00 2.38 O ATOM 0 H ASP A 40 -2.371 6.833 -10.700 1.00 0.55 H new ATOM 0 HA ASP A 40 -2.009 5.637 -13.106 1.00 0.49 H new ATOM 0 HB2 ASP A 40 0.265 4.985 -11.396 1.00 0.57 H new ATOM 0 HB3 ASP A 40 -0.641 3.561 -11.866 1.00 0.57 H new ATOM 690 N TYR A 41 -2.443 3.931 -10.289 1.00 0.45 N ATOM 691 CA TYR A 41 -3.207 2.943 -9.541 1.00 0.44 C ATOM 692 C TYR A 41 -2.633 2.770 -8.122 1.00 0.40 C ATOM 693 O TYR A 41 -1.492 3.135 -7.813 1.00 0.35 O ATOM 694 CB TYR A 41 -3.195 1.592 -10.279 1.00 0.42 C ATOM 695 CG TYR A 41 -3.869 1.546 -11.640 1.00 0.47 C ATOM 696 CD1 TYR A 41 -5.250 1.794 -11.750 1.00 2.31 C ATOM 697 CD2 TYR A 41 -3.123 1.221 -12.792 1.00 1.97 C ATOM 698 CE1 TYR A 41 -5.881 1.754 -13.007 1.00 2.39 C ATOM 699 CE2 TYR A 41 -3.750 1.160 -14.051 1.00 1.95 C ATOM 700 CZ TYR A 41 -5.133 1.438 -14.163 1.00 0.68 C ATOM 701 OH TYR A 41 -5.744 1.363 -15.379 1.00 0.81 O ATOM 0 H TYR A 41 -1.521 4.084 -9.881 1.00 0.45 H new ATOM 0 HA TYR A 41 -4.235 3.296 -9.459 1.00 0.44 H new ATOM 0 HB2 TYR A 41 -2.157 1.283 -10.404 1.00 0.42 H new ATOM 0 HB3 TYR A 41 -3.673 0.851 -9.638 1.00 0.42 H new ATOM 0 HD1 TYR A 41 -5.828 2.016 -10.865 1.00 2.31 H new ATOM 0 HD2 TYR A 41 -2.066 1.018 -12.708 1.00 1.97 H new ATOM 0 HE1 TYR A 41 -6.937 1.965 -13.088 1.00 2.39 H new ATOM 0 HE2 TYR A 41 -3.177 0.902 -14.929 1.00 1.95 H new ATOM 0 HH TYR A 41 -5.081 1.136 -16.065 1.00 0.81 H new ATOM 711 N TYR A 42 -3.462 2.193 -7.261 1.00 0.45 N ATOM 712 CA TYR A 42 -3.234 1.977 -5.835 1.00 0.41 C ATOM 713 C TYR A 42 -3.540 0.511 -5.487 1.00 0.38 C ATOM 714 O TYR A 42 -4.448 -0.079 -6.075 1.00 0.48 O ATOM 715 CB TYR A 42 -4.183 2.936 -5.093 1.00 0.48 C ATOM 716 CG TYR A 42 -4.376 2.628 -3.625 1.00 1.93 C ATOM 717 CD1 TYR A 42 -5.268 1.606 -3.246 1.00 2.48 C ATOM 718 CD2 TYR A 42 -3.657 3.335 -2.644 1.00 3.86 C ATOM 719 CE1 TYR A 42 -5.375 1.228 -1.900 1.00 3.94 C ATOM 720 CE2 TYR A 42 -3.767 2.967 -1.292 1.00 5.49 C ATOM 721 CZ TYR A 42 -4.606 1.895 -0.923 1.00 5.33 C ATOM 722 OH TYR A 42 -4.666 1.519 0.379 1.00 7.02 O ATOM 0 H TYR A 42 -4.372 1.840 -7.558 1.00 0.45 H new ATOM 0 HA TYR A 42 -2.200 2.171 -5.549 1.00 0.41 H new ATOM 0 HB2 TYR A 42 -3.799 3.951 -5.189 1.00 0.48 H new ATOM 0 HB3 TYR A 42 -5.155 2.915 -5.585 1.00 0.48 H new ATOM 0 HD1 TYR A 42 -5.871 1.112 -3.994 1.00 2.48 H new ATOM 0 HD2 TYR A 42 -3.021 4.160 -2.930 1.00 3.86 H new ATOM 0 HE1 TYR A 42 -6.043 0.430 -1.612 1.00 3.94 H new ATOM 0 HE2 TYR A 42 -3.211 3.504 -0.538 1.00 5.49 H new ATOM 0 HH TYR A 42 -4.104 0.728 0.517 1.00 7.02 H new ATOM 732 N SER A 43 -2.869 -0.065 -4.492 1.00 0.38 N ATOM 733 CA SER A 43 -3.249 -1.362 -3.923 1.00 0.38 C ATOM 734 C SER A 43 -3.068 -1.454 -2.400 1.00 0.43 C ATOM 735 O SER A 43 -2.179 -0.841 -1.802 1.00 0.47 O ATOM 736 CB SER A 43 -2.538 -2.523 -4.634 1.00 0.55 C ATOM 737 OG SER A 43 -1.145 -2.328 -4.804 1.00 1.42 O ATOM 0 H SER A 43 -2.047 0.352 -4.056 1.00 0.38 H new ATOM 0 HA SER A 43 -4.321 -1.450 -4.102 1.00 0.38 H new ATOM 0 HB2 SER A 43 -2.700 -3.438 -4.064 1.00 0.55 H new ATOM 0 HB3 SER A 43 -2.996 -2.672 -5.612 1.00 0.55 H new ATOM 0 HG SER A 43 -0.734 -2.130 -3.937 1.00 1.42 H new ATOM 743 N LEU A 44 -3.942 -2.260 -1.790 1.00 0.51 N ATOM 744 CA LEU A 44 -4.047 -2.567 -0.365 1.00 0.56 C ATOM 745 C LEU A 44 -4.034 -4.089 -0.199 1.00 0.55 C ATOM 746 O LEU A 44 -4.692 -4.797 -0.962 1.00 0.57 O ATOM 747 CB LEU A 44 -5.377 -1.953 0.119 1.00 0.67 C ATOM 748 CG LEU A 44 -5.785 -2.040 1.600 1.00 0.70 C ATOM 749 CD1 LEU A 44 -6.244 -3.434 2.023 1.00 2.73 C ATOM 750 CD2 LEU A 44 -4.707 -1.526 2.559 1.00 2.42 C ATOM 0 H LEU A 44 -4.653 -2.755 -2.328 1.00 0.51 H new ATOM 0 HA LEU A 44 -3.222 -2.159 0.219 1.00 0.56 H new ATOM 0 HB2 LEU A 44 -5.359 -0.896 -0.148 1.00 0.67 H new ATOM 0 HB3 LEU A 44 -6.175 -2.415 -0.462 1.00 0.67 H new ATOM 0 HG LEU A 44 -6.643 -1.372 1.676 1.00 0.70 H new ATOM 0 HD11 LEU A 44 -6.516 -3.423 3.078 1.00 2.73 H new ATOM 0 HD12 LEU A 44 -7.109 -3.728 1.428 1.00 2.73 H new ATOM 0 HD13 LEU A 44 -5.435 -4.147 1.865 1.00 2.73 H new ATOM 0 HD21 LEU A 44 -5.061 -1.616 3.586 1.00 2.42 H new ATOM 0 HD22 LEU A 44 -3.799 -2.115 2.435 1.00 2.42 H new ATOM 0 HD23 LEU A 44 -4.494 -0.480 2.339 1.00 2.42 H new ATOM 762 N CYS A 45 -3.326 -4.584 0.813 1.00 0.55 N ATOM 763 CA CYS A 45 -3.327 -5.984 1.237 1.00 0.54 C ATOM 764 C CYS A 45 -3.727 -6.086 2.720 1.00 0.49 C ATOM 765 O CYS A 45 -3.269 -5.284 3.535 1.00 0.55 O ATOM 766 CB CYS A 45 -1.922 -6.537 0.972 1.00 0.68 C ATOM 767 SG CYS A 45 -1.859 -8.310 1.358 1.00 1.32 S ATOM 0 H CYS A 45 -2.713 -4.001 1.382 1.00 0.55 H new ATOM 0 HA CYS A 45 -4.057 -6.573 0.681 1.00 0.54 H new ATOM 0 HB2 CYS A 45 -1.651 -6.375 -0.071 1.00 0.68 H new ATOM 0 HB3 CYS A 45 -1.192 -6.000 1.578 1.00 0.68 H new ATOM 0 HG CYS A 45 -0.775 -8.570 2.027 1.00 1.32 H new ATOM 773 N VAL A 46 -4.539 -7.085 3.064 1.00 0.52 N ATOM 774 CA VAL A 46 -5.010 -7.391 4.428 1.00 0.64 C ATOM 775 C VAL A 46 -4.678 -8.850 4.718 1.00 0.68 C ATOM 776 O VAL A 46 -4.942 -9.717 3.888 1.00 0.72 O ATOM 777 CB VAL A 46 -6.545 -7.226 4.596 1.00 0.91 C ATOM 778 CG1 VAL A 46 -6.974 -7.387 6.066 1.00 1.33 C ATOM 779 CG2 VAL A 46 -7.063 -5.878 4.086 1.00 1.67 C ATOM 0 H VAL A 46 -4.908 -7.738 2.372 1.00 0.52 H new ATOM 0 HA VAL A 46 -4.521 -6.693 5.107 1.00 0.64 H new ATOM 0 HB VAL A 46 -6.984 -8.017 3.989 1.00 0.91 H new ATOM 0 HG11 VAL A 46 -8.054 -7.265 6.145 1.00 1.33 H new ATOM 0 HG12 VAL A 46 -6.694 -8.379 6.420 1.00 1.33 H new ATOM 0 HG13 VAL A 46 -6.478 -6.631 6.675 1.00 1.33 H new ATOM 0 HG21 VAL A 46 -8.142 -5.824 4.231 1.00 1.67 H new ATOM 0 HG22 VAL A 46 -6.582 -5.071 4.638 1.00 1.67 H new ATOM 0 HG23 VAL A 46 -6.834 -5.778 3.025 1.00 1.67 H new ATOM 789 N ARG A 47 -4.126 -9.114 5.901 1.00 0.71 N ATOM 790 CA ARG A 47 -3.792 -10.448 6.397 1.00 0.76 C ATOM 791 C ARG A 47 -4.278 -10.575 7.842 1.00 0.82 C ATOM 792 O ARG A 47 -3.969 -9.728 8.683 1.00 0.87 O ATOM 793 CB ARG A 47 -2.272 -10.626 6.283 1.00 0.77 C ATOM 794 CG ARG A 47 -1.805 -12.061 6.562 1.00 1.72 C ATOM 795 CD ARG A 47 -0.288 -12.148 6.345 1.00 1.59 C ATOM 796 NE ARG A 47 0.148 -13.523 6.051 1.00 2.58 N ATOM 797 CZ ARG A 47 1.371 -13.882 5.674 1.00 2.79 C ATOM 798 NH1 ARG A 47 2.370 -13.024 5.637 1.00 2.50 N ATOM 799 NH2 ARG A 47 1.607 -15.125 5.316 1.00 3.78 N ATOM 0 H ARG A 47 -3.890 -8.377 6.565 1.00 0.71 H new ATOM 0 HA ARG A 47 -4.279 -11.230 5.815 1.00 0.76 H new ATOM 0 HB2 ARG A 47 -1.954 -10.336 5.282 1.00 0.77 H new ATOM 0 HB3 ARG A 47 -1.781 -9.949 6.982 1.00 0.77 H new ATOM 0 HG2 ARG A 47 -2.055 -12.346 7.584 1.00 1.72 H new ATOM 0 HG3 ARG A 47 -2.320 -12.759 5.902 1.00 1.72 H new ATOM 0 HD2 ARG A 47 -0.001 -11.493 5.523 1.00 1.59 H new ATOM 0 HD3 ARG A 47 0.227 -11.787 7.235 1.00 1.59 H new ATOM 0 HE ARG A 47 -0.548 -14.263 6.145 1.00 2.58 H new ATOM 0 HH11 ARG A 47 2.217 -12.051 5.903 1.00 2.50 H new ATOM 0 HH12 ARG A 47 3.297 -13.333 5.343 1.00 2.50 H new ATOM 0 HH21 ARG A 47 0.852 -15.811 5.328 1.00 3.78 H new ATOM 0 HH22 ARG A 47 2.545 -15.403 5.026 1.00 3.78 H new ATOM 813 N HIS A 48 -5.046 -11.622 8.142 1.00 0.92 N ATOM 814 CA HIS A 48 -5.628 -11.803 9.475 1.00 1.01 C ATOM 815 C HIS A 48 -5.539 -13.265 9.960 1.00 1.11 C ATOM 816 O HIS A 48 -5.976 -14.168 9.233 1.00 1.14 O ATOM 817 CB HIS A 48 -7.085 -11.304 9.477 1.00 1.17 C ATOM 818 CG HIS A 48 -7.473 -10.723 10.813 1.00 2.07 C ATOM 819 ND1 HIS A 48 -7.881 -11.407 11.937 1.00 2.89 N ATOM 820 CD2 HIS A 48 -7.391 -9.401 11.158 1.00 4.01 C ATOM 821 CE1 HIS A 48 -8.045 -10.516 12.930 1.00 4.44 C ATOM 822 NE2 HIS A 48 -7.754 -9.274 12.503 1.00 5.25 N ATOM 0 H HIS A 48 -5.281 -12.361 7.479 1.00 0.92 H new ATOM 0 HA HIS A 48 -5.045 -11.210 10.180 1.00 1.01 H new ATOM 0 HB2 HIS A 48 -7.212 -10.549 8.701 1.00 1.17 H new ATOM 0 HB3 HIS A 48 -7.753 -12.130 9.231 1.00 1.17 H new ATOM 0 HD1 HIS A 48 -8.032 -12.414 12.004 1.00 2.89 H new ATOM 0 HD2 HIS A 48 -7.096 -8.594 10.504 1.00 4.01 H new ATOM 0 HE1 HIS A 48 -8.366 -10.763 13.931 1.00 4.44 H new ATOM 830 N PRO A 49 -5.020 -13.514 11.181 1.00 1.38 N ATOM 831 CA PRO A 49 -5.102 -14.815 11.827 1.00 1.80 C ATOM 832 C PRO A 49 -6.496 -15.003 12.443 1.00 2.11 C ATOM 833 O PRO A 49 -7.115 -14.043 12.902 1.00 3.22 O ATOM 834 CB PRO A 49 -4.002 -14.805 12.889 1.00 2.25 C ATOM 835 CG PRO A 49 -3.960 -13.340 13.323 1.00 2.14 C ATOM 836 CD PRO A 49 -4.308 -12.575 12.047 1.00 1.56 C ATOM 0 HA PRO A 49 -4.961 -15.644 11.133 1.00 1.80 H new ATOM 0 HB2 PRO A 49 -4.239 -15.467 13.722 1.00 2.25 H new ATOM 0 HB3 PRO A 49 -3.045 -15.134 12.483 1.00 2.25 H new ATOM 0 HG2 PRO A 49 -4.676 -13.137 14.119 1.00 2.14 H new ATOM 0 HG3 PRO A 49 -2.976 -13.062 13.701 1.00 2.14 H new ATOM 0 HD2 PRO A 49 -4.929 -11.708 12.272 1.00 1.56 H new ATOM 0 HD3 PRO A 49 -3.407 -12.204 11.559 1.00 1.56 H new ATOM 844 N VAL A 50 -6.989 -16.243 12.460 1.00 1.80 N ATOM 845 CA VAL A 50 -8.284 -16.627 13.053 1.00 1.90 C ATOM 846 C VAL A 50 -8.128 -18.026 13.684 1.00 2.13 C ATOM 847 O VAL A 50 -7.492 -18.880 13.063 1.00 2.06 O ATOM 848 CB VAL A 50 -9.424 -16.624 11.998 1.00 1.76 C ATOM 849 CG1 VAL A 50 -10.791 -16.971 12.612 1.00 2.04 C ATOM 850 CG2 VAL A 50 -9.576 -15.264 11.290 1.00 1.56 C ATOM 0 H VAL A 50 -6.490 -17.033 12.052 1.00 1.80 H new ATOM 0 HA VAL A 50 -8.561 -15.897 13.814 1.00 1.90 H new ATOM 0 HB VAL A 50 -9.129 -17.387 11.277 1.00 1.76 H new ATOM 0 HG11 VAL A 50 -11.554 -16.955 11.834 1.00 2.04 H new ATOM 0 HG12 VAL A 50 -10.748 -17.965 13.058 1.00 2.04 H new ATOM 0 HG13 VAL A 50 -11.041 -16.239 13.380 1.00 2.04 H new ATOM 0 HG21 VAL A 50 -10.387 -15.320 10.564 1.00 1.56 H new ATOM 0 HG22 VAL A 50 -9.802 -14.493 12.027 1.00 1.56 H new ATOM 0 HG23 VAL A 50 -8.647 -15.015 10.777 1.00 1.56 H new ATOM 860 N PRO A 51 -8.664 -18.287 14.895 1.00 2.41 N ATOM 861 CA PRO A 51 -8.557 -19.594 15.543 1.00 2.62 C ATOM 862 C PRO A 51 -9.646 -20.584 15.096 1.00 2.61 C ATOM 863 O PRO A 51 -9.414 -21.792 15.090 1.00 2.67 O ATOM 864 CB PRO A 51 -8.629 -19.291 17.042 1.00 2.97 C ATOM 865 CG PRO A 51 -9.458 -18.014 17.140 1.00 2.95 C ATOM 866 CD PRO A 51 -9.221 -17.297 15.809 1.00 2.57 C ATOM 0 HA PRO A 51 -7.629 -20.096 15.268 1.00 2.62 H new ATOM 0 HB2 PRO A 51 -9.096 -20.109 17.589 1.00 2.97 H new ATOM 0 HB3 PRO A 51 -7.635 -19.151 17.466 1.00 2.97 H new ATOM 0 HG2 PRO A 51 -10.515 -18.238 17.287 1.00 2.95 H new ATOM 0 HG3 PRO A 51 -9.142 -17.400 17.983 1.00 2.95 H new ATOM 0 HD2 PRO A 51 -10.153 -16.889 15.417 1.00 2.57 H new ATOM 0 HD3 PRO A 51 -8.536 -16.459 15.937 1.00 2.57 H new ATOM 874 N PHE A 52 -10.818 -20.078 14.704 1.00 2.58 N ATOM 875 CA PHE A 52 -11.982 -20.859 14.259 1.00 2.67 C ATOM 876 C PHE A 52 -11.938 -21.282 12.775 1.00 2.47 C ATOM 877 O PHE A 52 -12.771 -22.086 12.343 1.00 2.67 O ATOM 878 CB PHE A 52 -13.248 -20.029 14.541 1.00 2.81 C ATOM 879 CG PHE A 52 -13.529 -19.799 16.015 1.00 2.99 C ATOM 880 CD1 PHE A 52 -14.257 -20.757 16.748 1.00 4.09 C ATOM 881 CD2 PHE A 52 -13.063 -18.637 16.660 1.00 2.78 C ATOM 882 CE1 PHE A 52 -14.521 -20.552 18.113 1.00 4.28 C ATOM 883 CE2 PHE A 52 -13.328 -18.432 18.026 1.00 2.99 C ATOM 884 CZ PHE A 52 -14.057 -19.389 18.753 1.00 3.43 C ATOM 0 H PHE A 52 -10.992 -19.073 14.686 1.00 2.58 H new ATOM 0 HA PHE A 52 -11.979 -21.795 14.818 1.00 2.67 H new ATOM 0 HB2 PHE A 52 -13.152 -19.062 14.046 1.00 2.81 H new ATOM 0 HB3 PHE A 52 -14.105 -20.532 14.094 1.00 2.81 H new ATOM 0 HD1 PHE A 52 -14.613 -21.652 16.259 1.00 4.09 H new ATOM 0 HD2 PHE A 52 -12.501 -17.901 16.104 1.00 2.78 H new ATOM 0 HE1 PHE A 52 -15.081 -21.288 18.671 1.00 4.28 H new ATOM 0 HE2 PHE A 52 -12.971 -17.539 18.517 1.00 2.99 H new ATOM 0 HZ PHE A 52 -14.261 -19.231 19.802 1.00 3.43 H new ATOM 894 N THR A 53 -11.017 -20.718 11.980 1.00 2.15 N ATOM 895 CA THR A 53 -10.947 -20.841 10.513 1.00 1.97 C ATOM 896 C THR A 53 -9.496 -20.727 10.046 1.00 1.74 C ATOM 897 O THR A 53 -8.694 -20.070 10.709 1.00 1.76 O ATOM 898 CB THR A 53 -11.902 -19.794 9.896 1.00 1.93 C ATOM 899 OG1 THR A 53 -13.006 -20.485 9.357 1.00 2.42 O ATOM 900 CG2 THR A 53 -11.341 -18.896 8.794 1.00 2.05 C ATOM 0 H THR A 53 -10.267 -20.138 12.356 1.00 2.15 H new ATOM 0 HA THR A 53 -11.280 -21.821 10.172 1.00 1.97 H new ATOM 0 HB THR A 53 -12.137 -19.117 10.718 1.00 1.93 H new ATOM 0 HG1 THR A 53 -13.631 -19.843 8.959 1.00 2.42 H new ATOM 0 HG21 THR A 53 -12.117 -18.211 8.453 1.00 2.05 H new ATOM 0 HG22 THR A 53 -10.498 -18.325 9.184 1.00 2.05 H new ATOM 0 HG23 THR A 53 -11.007 -19.511 7.958 1.00 2.05 H new ATOM 908 N ARG A 54 -9.146 -21.319 8.897 1.00 1.63 N ATOM 909 CA ARG A 54 -7.800 -21.173 8.317 1.00 1.47 C ATOM 910 C ARG A 54 -7.540 -19.702 7.917 1.00 1.28 C ATOM 911 O ARG A 54 -8.457 -19.046 7.409 1.00 1.27 O ATOM 912 CB ARG A 54 -7.626 -22.084 7.088 1.00 1.56 C ATOM 913 CG ARG A 54 -7.456 -23.580 7.402 1.00 1.82 C ATOM 914 CD ARG A 54 -6.160 -23.874 8.175 1.00 2.14 C ATOM 915 NE ARG A 54 -5.746 -25.281 8.029 1.00 2.53 N ATOM 916 CZ ARG A 54 -4.551 -25.783 8.325 1.00 3.00 C ATOM 917 NH1 ARG A 54 -3.613 -25.061 8.905 1.00 3.32 N ATOM 918 NH2 ARG A 54 -4.277 -27.036 8.034 1.00 3.42 N ATOM 0 H ARG A 54 -9.775 -21.905 8.348 1.00 1.63 H new ATOM 0 HA ARG A 54 -7.076 -21.471 9.076 1.00 1.47 H new ATOM 0 HB2 ARG A 54 -8.493 -21.961 6.439 1.00 1.56 H new ATOM 0 HB3 ARG A 54 -6.756 -21.746 6.525 1.00 1.56 H new ATOM 0 HG2 ARG A 54 -8.310 -23.925 7.985 1.00 1.82 H new ATOM 0 HG3 ARG A 54 -7.456 -24.146 6.471 1.00 1.82 H new ATOM 0 HD2 ARG A 54 -5.365 -23.221 7.814 1.00 2.14 H new ATOM 0 HD3 ARG A 54 -6.306 -23.645 9.231 1.00 2.14 H new ATOM 0 HE ARG A 54 -6.443 -25.932 7.666 1.00 2.53 H new ATOM 0 HH11 ARG A 54 -3.793 -24.085 9.141 1.00 3.32 H new ATOM 0 HH12 ARG A 54 -2.707 -25.478 9.118 1.00 3.32 H new ATOM 0 HH21 ARG A 54 -4.981 -27.620 7.582 1.00 3.42 H new ATOM 0 HH22 ARG A 54 -3.361 -27.423 8.260 1.00 3.42 H new ATOM 932 N PRO A 55 -6.316 -19.177 8.127 1.00 1.24 N ATOM 933 CA PRO A 55 -5.999 -17.769 7.908 1.00 1.13 C ATOM 934 C PRO A 55 -6.016 -17.429 6.415 1.00 1.04 C ATOM 935 O PRO A 55 -5.771 -18.285 5.564 1.00 1.12 O ATOM 936 CB PRO A 55 -4.625 -17.551 8.546 1.00 1.29 C ATOM 937 CG PRO A 55 -3.962 -18.923 8.433 1.00 1.46 C ATOM 938 CD PRO A 55 -5.135 -19.892 8.591 1.00 1.43 C ATOM 0 HA PRO A 55 -6.738 -17.107 8.359 1.00 1.13 H new ATOM 0 HB2 PRO A 55 -4.055 -16.785 8.021 1.00 1.29 H new ATOM 0 HB3 PRO A 55 -4.710 -17.230 9.584 1.00 1.29 H new ATOM 0 HG2 PRO A 55 -3.461 -19.050 7.473 1.00 1.46 H new ATOM 0 HG3 PRO A 55 -3.210 -19.072 9.208 1.00 1.46 H new ATOM 0 HD2 PRO A 55 -4.973 -20.798 8.007 1.00 1.43 H new ATOM 0 HD3 PRO A 55 -5.249 -20.199 9.631 1.00 1.43 H new ATOM 946 N LYS A 56 -6.317 -16.165 6.106 1.00 0.96 N ATOM 947 CA LYS A 56 -6.512 -15.673 4.736 1.00 0.93 C ATOM 948 C LYS A 56 -5.766 -14.354 4.464 1.00 0.78 C ATOM 949 O LYS A 56 -5.489 -13.570 5.379 1.00 0.84 O ATOM 950 CB LYS A 56 -8.026 -15.498 4.468 1.00 1.22 C ATOM 951 CG LYS A 56 -8.815 -16.806 4.267 1.00 1.97 C ATOM 952 CD LYS A 56 -8.467 -17.522 2.952 1.00 2.79 C ATOM 953 CE LYS A 56 -9.424 -18.699 2.718 1.00 3.93 C ATOM 954 NZ LYS A 56 -9.158 -19.377 1.421 1.00 5.36 N ATOM 0 H LYS A 56 -6.435 -15.440 6.813 1.00 0.96 H new ATOM 0 HA LYS A 56 -6.091 -16.413 4.056 1.00 0.93 H new ATOM 0 HB2 LYS A 56 -8.465 -14.953 5.303 1.00 1.22 H new ATOM 0 HB3 LYS A 56 -8.152 -14.877 3.581 1.00 1.22 H new ATOM 0 HG2 LYS A 56 -8.615 -17.476 5.103 1.00 1.97 H new ATOM 0 HG3 LYS A 56 -9.882 -16.586 4.283 1.00 1.97 H new ATOM 0 HD2 LYS A 56 -8.531 -16.821 2.120 1.00 2.79 H new ATOM 0 HD3 LYS A 56 -7.439 -17.882 2.987 1.00 2.79 H new ATOM 0 HE2 LYS A 56 -9.322 -19.417 3.531 1.00 3.93 H new ATOM 0 HE3 LYS A 56 -10.453 -18.340 2.736 1.00 3.93 H new ATOM 0 HZ1 LYS A 56 -9.824 -20.166 1.299 1.00 5.36 H new ATOM 0 HZ2 LYS A 56 -9.279 -18.698 0.643 1.00 5.36 H new ATOM 0 HZ3 LYS A 56 -8.184 -19.742 1.413 1.00 5.36 H new ATOM 968 N VAL A 57 -5.501 -14.104 3.180 1.00 0.74 N ATOM 969 CA VAL A 57 -5.037 -12.824 2.628 1.00 0.66 C ATOM 970 C VAL A 57 -6.106 -12.309 1.659 1.00 0.65 C ATOM 971 O VAL A 57 -6.559 -13.048 0.784 1.00 0.76 O ATOM 972 CB VAL A 57 -3.674 -12.970 1.905 1.00 0.70 C ATOM 973 CG1 VAL A 57 -3.245 -11.676 1.193 1.00 1.50 C ATOM 974 CG2 VAL A 57 -2.565 -13.354 2.901 1.00 1.84 C ATOM 0 H VAL A 57 -5.608 -14.820 2.461 1.00 0.74 H new ATOM 0 HA VAL A 57 -4.886 -12.115 3.442 1.00 0.66 H new ATOM 0 HB VAL A 57 -3.811 -13.755 1.161 1.00 0.70 H new ATOM 0 HG11 VAL A 57 -2.284 -11.832 0.703 1.00 1.50 H new ATOM 0 HG12 VAL A 57 -3.993 -11.406 0.448 1.00 1.50 H new ATOM 0 HG13 VAL A 57 -3.153 -10.872 1.923 1.00 1.50 H new ATOM 0 HG21 VAL A 57 -1.618 -13.451 2.371 1.00 1.84 H new ATOM 0 HG22 VAL A 57 -2.477 -12.580 3.663 1.00 1.84 H new ATOM 0 HG23 VAL A 57 -2.814 -14.303 3.375 1.00 1.84 H new ATOM 984 N ALA A 58 -6.480 -11.039 1.808 1.00 0.59 N ATOM 985 CA ALA A 58 -7.344 -10.295 0.890 1.00 0.57 C ATOM 986 C ALA A 58 -6.598 -9.072 0.341 1.00 0.50 C ATOM 987 O ALA A 58 -5.683 -8.544 0.980 1.00 0.55 O ATOM 988 CB ALA A 58 -8.628 -9.872 1.619 1.00 0.63 C ATOM 0 H ALA A 58 -6.178 -10.477 2.604 1.00 0.59 H new ATOM 0 HA ALA A 58 -7.616 -10.933 0.049 1.00 0.57 H new ATOM 0 HB1 ALA A 58 -9.270 -9.318 0.934 1.00 0.63 H new ATOM 0 HB2 ALA A 58 -9.154 -10.758 1.973 1.00 0.63 H new ATOM 0 HB3 ALA A 58 -8.372 -9.239 2.468 1.00 0.63 H new ATOM 994 N PHE A 59 -7.015 -8.612 -0.836 1.00 0.49 N ATOM 995 CA PHE A 59 -6.395 -7.500 -1.551 1.00 0.43 C ATOM 996 C PHE A 59 -7.436 -6.679 -2.325 1.00 0.41 C ATOM 997 O PHE A 59 -8.408 -7.221 -2.854 1.00 0.45 O ATOM 998 CB PHE A 59 -5.252 -8.022 -2.444 1.00 0.42 C ATOM 999 CG PHE A 59 -5.533 -9.294 -3.239 1.00 0.48 C ATOM 1000 CD1 PHE A 59 -6.425 -9.276 -4.331 1.00 1.95 C ATOM 1001 CD2 PHE A 59 -4.854 -10.492 -2.928 1.00 1.73 C ATOM 1002 CE1 PHE A 59 -6.665 -10.446 -5.075 1.00 2.06 C ATOM 1003 CE2 PHE A 59 -5.096 -11.661 -3.670 1.00 1.71 C ATOM 1004 CZ PHE A 59 -6.006 -11.641 -4.740 1.00 0.77 C ATOM 0 H PHE A 59 -7.812 -9.012 -1.331 1.00 0.49 H new ATOM 0 HA PHE A 59 -5.956 -6.812 -0.829 1.00 0.43 H new ATOM 0 HB2 PHE A 59 -4.981 -7.234 -3.147 1.00 0.42 H new ATOM 0 HB3 PHE A 59 -4.381 -8.200 -1.813 1.00 0.42 H new ATOM 0 HD1 PHE A 59 -6.927 -8.358 -4.598 1.00 1.95 H new ATOM 0 HD2 PHE A 59 -4.144 -10.510 -2.115 1.00 1.73 H new ATOM 0 HE1 PHE A 59 -7.356 -10.426 -5.904 1.00 2.06 H new ATOM 0 HE2 PHE A 59 -4.581 -12.576 -3.417 1.00 1.71 H new ATOM 0 HZ PHE A 59 -6.199 -12.542 -5.304 1.00 0.77 H new ATOM 1014 N TYR A 60 -7.218 -5.363 -2.388 1.00 0.40 N ATOM 1015 CA TYR A 60 -8.096 -4.390 -3.053 1.00 0.44 C ATOM 1016 C TYR A 60 -7.274 -3.402 -3.900 1.00 0.43 C ATOM 1017 O TYR A 60 -6.211 -2.945 -3.468 1.00 0.42 O ATOM 1018 CB TYR A 60 -8.939 -3.636 -2.008 1.00 0.52 C ATOM 1019 CG TYR A 60 -9.733 -4.522 -1.063 1.00 0.52 C ATOM 1020 CD1 TYR A 60 -10.662 -5.447 -1.579 1.00 1.62 C ATOM 1021 CD2 TYR A 60 -9.528 -4.447 0.330 1.00 1.72 C ATOM 1022 CE1 TYR A 60 -11.353 -6.320 -0.720 1.00 1.63 C ATOM 1023 CE2 TYR A 60 -10.218 -5.316 1.198 1.00 1.73 C ATOM 1024 CZ TYR A 60 -11.127 -6.262 0.674 1.00 0.57 C ATOM 1025 OH TYR A 60 -11.783 -7.114 1.511 1.00 0.63 O ATOM 0 H TYR A 60 -6.398 -4.928 -1.964 1.00 0.40 H new ATOM 0 HA TYR A 60 -8.767 -4.930 -3.721 1.00 0.44 H new ATOM 0 HB2 TYR A 60 -8.277 -3.002 -1.418 1.00 0.52 H new ATOM 0 HB3 TYR A 60 -9.631 -2.975 -2.530 1.00 0.52 H new ATOM 0 HD1 TYR A 60 -10.845 -5.486 -2.643 1.00 1.62 H new ATOM 0 HD2 TYR A 60 -8.839 -3.720 0.733 1.00 1.72 H new ATOM 0 HE1 TYR A 60 -12.055 -7.034 -1.125 1.00 1.63 H new ATOM 0 HE2 TYR A 60 -10.052 -5.259 2.264 1.00 1.73 H new ATOM 0 HH TYR A 60 -11.510 -6.939 2.436 1.00 0.63 H new ATOM 1035 N THR A 61 -7.753 -3.089 -5.111 1.00 0.46 N ATOM 1036 CA THR A 61 -7.031 -2.315 -6.136 1.00 0.44 C ATOM 1037 C THR A 61 -7.940 -1.931 -7.301 1.00 0.51 C ATOM 1038 O THR A 61 -8.957 -2.583 -7.546 1.00 0.63 O ATOM 1039 CB THR A 61 -5.769 -3.060 -6.604 1.00 0.42 C ATOM 1040 OG1 THR A 61 -5.082 -2.247 -7.517 1.00 0.73 O ATOM 1041 CG2 THR A 61 -6.024 -4.398 -7.296 1.00 0.60 C ATOM 0 H THR A 61 -8.683 -3.375 -5.417 1.00 0.46 H new ATOM 0 HA THR A 61 -6.704 -1.381 -5.678 1.00 0.44 H new ATOM 0 HB THR A 61 -5.205 -3.274 -5.696 1.00 0.42 H new ATOM 0 HG1 THR A 61 -4.623 -2.810 -8.175 1.00 0.73 H new ATOM 0 HG21 THR A 61 -5.073 -4.844 -7.588 1.00 0.60 H new ATOM 0 HG22 THR A 61 -6.544 -5.068 -6.612 1.00 0.60 H new ATOM 0 HG23 THR A 61 -6.637 -4.238 -8.183 1.00 0.60 H new ATOM 1049 N ASN A 62 -7.552 -0.877 -8.020 1.00 0.50 N ATOM 1050 CA ASN A 62 -8.154 -0.449 -9.287 1.00 0.59 C ATOM 1051 C ASN A 62 -7.336 -0.891 -10.524 1.00 0.51 C ATOM 1052 O ASN A 62 -7.634 -0.461 -11.640 1.00 0.55 O ATOM 1053 CB ASN A 62 -8.405 1.071 -9.241 1.00 0.72 C ATOM 1054 CG ASN A 62 -9.834 1.361 -8.792 1.00 1.84 C ATOM 1055 OD1 ASN A 62 -10.771 1.296 -9.581 1.00 2.28 O ATOM 1056 ND2 ASN A 62 -10.057 1.666 -7.530 1.00 3.08 N ATOM 0 H ASN A 62 -6.782 -0.275 -7.727 1.00 0.50 H new ATOM 0 HA ASN A 62 -9.113 -0.954 -9.404 1.00 0.59 H new ATOM 0 HB2 ASN A 62 -7.699 1.542 -8.557 1.00 0.72 H new ATOM 0 HB3 ASN A 62 -8.231 1.505 -10.226 1.00 0.72 H new ATOM 0 HD21 ASN A 62 -11.008 1.848 -7.210 1.00 3.08 H new ATOM 0 HD22 ASN A 62 -9.279 1.720 -6.873 1.00 3.08 H new ATOM 1063 N TYR A 63 -6.336 -1.773 -10.362 1.00 0.45 N ATOM 1064 CA TYR A 63 -5.529 -2.308 -11.470 1.00 0.42 C ATOM 1065 C TYR A 63 -6.396 -2.912 -12.605 1.00 0.45 C ATOM 1066 O TYR A 63 -7.468 -3.467 -12.328 1.00 0.48 O ATOM 1067 CB TYR A 63 -4.595 -3.413 -10.939 1.00 0.38 C ATOM 1068 CG TYR A 63 -3.412 -3.019 -10.079 1.00 0.36 C ATOM 1069 CD1 TYR A 63 -2.717 -1.812 -10.285 1.00 1.89 C ATOM 1070 CD2 TYR A 63 -3.003 -3.894 -9.054 1.00 1.88 C ATOM 1071 CE1 TYR A 63 -1.686 -1.435 -9.408 1.00 1.93 C ATOM 1072 CE2 TYR A 63 -1.999 -3.502 -8.148 1.00 1.86 C ATOM 1073 CZ TYR A 63 -1.339 -2.261 -8.322 1.00 0.43 C ATOM 1074 OH TYR A 63 -0.386 -1.829 -7.451 1.00 0.55 O ATOM 0 H TYR A 63 -6.063 -2.138 -9.449 1.00 0.45 H new ATOM 0 HA TYR A 63 -4.964 -1.472 -11.882 1.00 0.42 H new ATOM 0 HB2 TYR A 63 -5.203 -4.111 -10.363 1.00 0.38 H new ATOM 0 HB3 TYR A 63 -4.210 -3.961 -11.799 1.00 0.38 H new ATOM 0 HD1 TYR A 63 -2.977 -1.175 -11.118 1.00 1.89 H new ATOM 0 HD2 TYR A 63 -3.461 -4.868 -8.963 1.00 1.88 H new ATOM 0 HE1 TYR A 63 -1.157 -0.507 -9.568 1.00 1.93 H new ATOM 0 HE2 TYR A 63 -1.733 -4.146 -7.323 1.00 1.86 H new ATOM 0 HH TYR A 63 -0.674 -2.013 -6.533 1.00 0.55 H new ATOM 1084 N PRO A 64 -5.939 -2.834 -13.874 1.00 0.47 N ATOM 1085 CA PRO A 64 -6.676 -3.347 -15.023 1.00 0.51 C ATOM 1086 C PRO A 64 -6.805 -4.866 -14.937 1.00 0.49 C ATOM 1087 O PRO A 64 -5.884 -5.548 -14.485 1.00 0.46 O ATOM 1088 CB PRO A 64 -5.909 -2.892 -16.271 1.00 0.59 C ATOM 1089 CG PRO A 64 -4.502 -2.557 -15.774 1.00 0.58 C ATOM 1090 CD PRO A 64 -4.692 -2.217 -14.299 1.00 0.48 C ATOM 0 HA PRO A 64 -7.696 -2.963 -15.057 1.00 0.51 H new ATOM 0 HB2 PRO A 64 -5.884 -3.677 -17.026 1.00 0.59 H new ATOM 0 HB3 PRO A 64 -6.382 -2.024 -16.730 1.00 0.59 H new ATOM 0 HG2 PRO A 64 -3.824 -3.400 -15.903 1.00 0.58 H new ATOM 0 HG3 PRO A 64 -4.076 -1.718 -16.324 1.00 0.58 H new ATOM 0 HD2 PRO A 64 -3.856 -2.590 -13.707 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -4.728 -1.137 -14.154 1.00 0.48 H new ATOM 1098 N GLU A 65 -7.944 -5.405 -15.384 1.00 0.50 N ATOM 1099 CA GLU A 65 -8.257 -6.830 -15.252 1.00 0.51 C ATOM 1100 C GLU A 65 -7.230 -7.729 -15.962 1.00 0.54 C ATOM 1101 O GLU A 65 -6.994 -8.849 -15.525 1.00 0.55 O ATOM 1102 CB GLU A 65 -9.686 -7.098 -15.749 1.00 0.54 C ATOM 1103 CG GLU A 65 -9.809 -7.137 -17.278 1.00 0.59 C ATOM 1104 CD GLU A 65 -11.279 -7.212 -17.718 1.00 0.78 C ATOM 1105 OE1 GLU A 65 -11.877 -8.313 -17.663 1.00 1.63 O ATOM 1106 OE2 GLU A 65 -11.845 -6.171 -18.128 1.00 1.82 O ATOM 0 H GLU A 65 -8.675 -4.865 -15.848 1.00 0.50 H new ATOM 0 HA GLU A 65 -8.198 -7.089 -14.195 1.00 0.51 H new ATOM 0 HB2 GLU A 65 -10.031 -8.048 -15.341 1.00 0.54 H new ATOM 0 HB3 GLU A 65 -10.348 -6.325 -15.359 1.00 0.54 H new ATOM 0 HG2 GLU A 65 -9.344 -6.248 -17.705 1.00 0.59 H new ATOM 0 HG3 GLU A 65 -9.266 -7.999 -17.667 1.00 0.59 H new ATOM 1113 N ALA A 66 -6.567 -7.228 -17.011 1.00 0.58 N ATOM 1114 CA ALA A 66 -5.490 -7.928 -17.707 1.00 0.62 C ATOM 1115 C ALA A 66 -4.251 -8.117 -16.814 1.00 0.59 C ATOM 1116 O ALA A 66 -3.656 -9.193 -16.810 1.00 0.61 O ATOM 1117 CB ALA A 66 -5.160 -7.136 -18.978 1.00 0.68 C ATOM 0 H ALA A 66 -6.770 -6.309 -17.404 1.00 0.58 H new ATOM 0 HA ALA A 66 -5.816 -8.934 -17.970 1.00 0.62 H new ATOM 0 HB1 ALA A 66 -4.357 -7.636 -19.520 1.00 0.68 H new ATOM 0 HB2 ALA A 66 -6.045 -7.079 -19.612 1.00 0.68 H new ATOM 0 HB3 ALA A 66 -4.843 -6.129 -18.707 1.00 0.68 H new ATOM 1123 N TRP A 67 -3.909 -7.107 -16.005 1.00 0.56 N ATOM 1124 CA TRP A 67 -2.808 -7.169 -15.040 1.00 0.55 C ATOM 1125 C TRP A 67 -3.207 -7.989 -13.808 1.00 0.51 C ATOM 1126 O TRP A 67 -2.433 -8.820 -13.340 1.00 0.53 O ATOM 1127 CB TRP A 67 -2.392 -5.739 -14.656 1.00 0.57 C ATOM 1128 CG TRP A 67 -1.279 -5.578 -13.658 1.00 0.62 C ATOM 1129 CD1 TRP A 67 -1.261 -4.623 -12.697 1.00 0.76 C ATOM 1130 CD2 TRP A 67 -0.027 -6.330 -13.488 1.00 0.64 C ATOM 1131 NE1 TRP A 67 -0.123 -4.743 -11.931 1.00 0.87 N ATOM 1132 CE2 TRP A 67 0.670 -5.775 -12.369 1.00 0.79 C ATOM 1133 CE3 TRP A 67 0.608 -7.418 -14.142 1.00 0.61 C ATOM 1134 CZ2 TRP A 67 1.907 -6.260 -11.926 1.00 0.88 C ATOM 1135 CZ3 TRP A 67 1.826 -7.937 -13.665 1.00 0.70 C ATOM 1136 CH2 TRP A 67 2.492 -7.342 -12.588 1.00 0.83 C ATOM 0 H TRP A 67 -4.397 -6.211 -16.003 1.00 0.56 H new ATOM 0 HA TRP A 67 -1.955 -7.672 -15.495 1.00 0.55 H new ATOM 0 HB2 TRP A 67 -2.102 -5.218 -15.568 1.00 0.57 H new ATOM 0 HB3 TRP A 67 -3.271 -5.228 -14.263 1.00 0.57 H new ATOM 0 HD1 TRP A 67 -2.028 -3.876 -12.553 1.00 0.76 H new ATOM 0 HE1 TRP A 67 0.102 -4.142 -11.139 1.00 0.87 H new ATOM 0 HE3 TRP A 67 0.150 -7.854 -15.018 1.00 0.61 H new ATOM 0 HZ2 TRP A 67 2.403 -5.803 -11.082 1.00 0.88 H new ATOM 0 HZ3 TRP A 67 2.254 -8.809 -14.138 1.00 0.70 H new ATOM 0 HH2 TRP A 67 3.453 -7.717 -12.270 1.00 0.83 H new ATOM 1147 N VAL A 68 -4.440 -7.802 -13.327 1.00 0.46 N ATOM 1148 CA VAL A 68 -4.987 -8.501 -12.149 1.00 0.44 C ATOM 1149 C VAL A 68 -5.156 -9.997 -12.425 1.00 0.51 C ATOM 1150 O VAL A 68 -4.783 -10.819 -11.588 1.00 0.54 O ATOM 1151 CB VAL A 68 -6.331 -7.872 -11.713 1.00 0.42 C ATOM 1152 CG1 VAL A 68 -7.044 -8.627 -10.584 1.00 0.44 C ATOM 1153 CG2 VAL A 68 -6.119 -6.440 -11.213 1.00 0.39 C ATOM 0 H VAL A 68 -5.101 -7.150 -13.749 1.00 0.46 H new ATOM 0 HA VAL A 68 -4.274 -8.388 -11.332 1.00 0.44 H new ATOM 0 HB VAL A 68 -6.953 -7.913 -12.607 1.00 0.42 H new ATOM 0 HG11 VAL A 68 -7.977 -8.119 -10.340 1.00 0.44 H new ATOM 0 HG12 VAL A 68 -7.259 -9.646 -10.907 1.00 0.44 H new ATOM 0 HG13 VAL A 68 -6.403 -8.653 -9.702 1.00 0.44 H new ATOM 0 HG21 VAL A 68 -7.076 -6.015 -10.911 1.00 0.39 H new ATOM 0 HG22 VAL A 68 -5.441 -6.449 -10.360 1.00 0.39 H new ATOM 0 HG23 VAL A 68 -5.689 -5.836 -12.012 1.00 0.39 H new ATOM 1163 N SER A 69 -5.695 -10.367 -13.591 1.00 0.55 N ATOM 1164 CA SER A 69 -5.828 -11.777 -13.975 1.00 0.61 C ATOM 1165 C SER A 69 -4.460 -12.419 -14.207 1.00 0.65 C ATOM 1166 O SER A 69 -4.224 -13.507 -13.705 1.00 0.72 O ATOM 1167 CB SER A 69 -6.708 -11.938 -15.223 1.00 0.64 C ATOM 1168 OG SER A 69 -7.129 -13.285 -15.404 1.00 0.71 O ATOM 0 H SER A 69 -6.047 -9.709 -14.287 1.00 0.55 H new ATOM 0 HA SER A 69 -6.314 -12.291 -13.146 1.00 0.61 H new ATOM 0 HB2 SER A 69 -7.582 -11.293 -15.137 1.00 0.64 H new ATOM 0 HB3 SER A 69 -6.155 -11.609 -16.103 1.00 0.64 H new ATOM 0 HG SER A 69 -7.688 -13.348 -16.207 1.00 0.71 H new ATOM 1174 N TYR A 70 -3.524 -11.758 -14.896 1.00 0.64 N ATOM 1175 CA TYR A 70 -2.165 -12.270 -15.110 1.00 0.67 C ATOM 1176 C TYR A 70 -1.419 -12.504 -13.788 1.00 0.64 C ATOM 1177 O TYR A 70 -0.806 -13.557 -13.609 1.00 0.68 O ATOM 1178 CB TYR A 70 -1.433 -11.275 -16.012 1.00 0.68 C ATOM 1179 CG TYR A 70 -0.005 -11.656 -16.304 1.00 0.71 C ATOM 1180 CD1 TYR A 70 0.275 -12.647 -17.259 1.00 1.74 C ATOM 1181 CD2 TYR A 70 1.038 -11.032 -15.603 1.00 1.82 C ATOM 1182 CE1 TYR A 70 1.609 -13.008 -17.527 1.00 1.72 C ATOM 1183 CE2 TYR A 70 2.373 -11.372 -15.879 1.00 1.87 C ATOM 1184 CZ TYR A 70 2.667 -12.363 -16.843 1.00 0.75 C ATOM 1185 OH TYR A 70 3.962 -12.698 -17.100 1.00 0.79 O ATOM 0 H TYR A 70 -3.688 -10.847 -15.324 1.00 0.64 H new ATOM 0 HA TYR A 70 -2.209 -13.247 -15.591 1.00 0.67 H new ATOM 0 HB2 TYR A 70 -1.975 -11.185 -16.953 1.00 0.68 H new ATOM 0 HB3 TYR A 70 -1.448 -10.292 -15.541 1.00 0.68 H new ATOM 0 HD1 TYR A 70 -0.533 -13.132 -17.787 1.00 1.74 H new ATOM 0 HD2 TYR A 70 0.815 -10.290 -14.851 1.00 1.82 H new ATOM 0 HE1 TYR A 70 1.825 -13.777 -18.254 1.00 1.72 H new ATOM 0 HE2 TYR A 70 3.176 -10.875 -15.354 1.00 1.87 H new ATOM 0 HH TYR A 70 4.557 -12.155 -16.542 1.00 0.79 H new ATOM 1195 N TYR A 71 -1.541 -11.577 -12.832 1.00 0.58 N ATOM 1196 CA TYR A 71 -0.962 -11.702 -11.495 1.00 0.56 C ATOM 1197 C TYR A 71 -1.511 -12.930 -10.745 1.00 0.59 C ATOM 1198 O TYR A 71 -0.750 -13.713 -10.178 1.00 0.63 O ATOM 1199 CB TYR A 71 -1.202 -10.394 -10.727 1.00 0.53 C ATOM 1200 CG TYR A 71 -0.482 -10.300 -9.394 1.00 0.78 C ATOM 1201 CD1 TYR A 71 -0.996 -10.961 -8.262 1.00 1.40 C ATOM 1202 CD2 TYR A 71 0.688 -9.524 -9.278 1.00 2.24 C ATOM 1203 CE1 TYR A 71 -0.348 -10.840 -7.019 1.00 1.63 C ATOM 1204 CE2 TYR A 71 1.341 -9.407 -8.036 1.00 2.69 C ATOM 1205 CZ TYR A 71 0.827 -10.071 -6.902 1.00 1.87 C ATOM 1206 OH TYR A 71 1.439 -9.951 -5.694 1.00 2.44 O ATOM 0 H TYR A 71 -2.053 -10.706 -12.970 1.00 0.58 H new ATOM 0 HA TYR A 71 0.112 -11.867 -11.581 1.00 0.56 H new ATOM 0 HB2 TYR A 71 -0.889 -9.558 -11.353 1.00 0.53 H new ATOM 0 HB3 TYR A 71 -2.272 -10.281 -10.555 1.00 0.53 H new ATOM 0 HD1 TYR A 71 -1.889 -11.562 -8.348 1.00 1.40 H new ATOM 0 HD2 TYR A 71 1.086 -9.017 -10.145 1.00 2.24 H new ATOM 0 HE1 TYR A 71 -0.753 -11.339 -6.151 1.00 1.63 H new ATOM 0 HE2 TYR A 71 2.236 -8.809 -7.951 1.00 2.69 H new ATOM 0 HH TYR A 71 2.078 -9.208 -5.723 1.00 2.44 H new ATOM 1216 N GLN A 72 -2.833 -13.115 -10.761 1.00 0.61 N ATOM 1217 CA GLN A 72 -3.503 -14.248 -10.116 1.00 0.66 C ATOM 1218 C GLN A 72 -3.306 -15.584 -10.857 1.00 0.73 C ATOM 1219 O GLN A 72 -3.154 -16.617 -10.209 1.00 0.78 O ATOM 1220 CB GLN A 72 -4.994 -13.909 -9.942 1.00 0.68 C ATOM 1221 CG GLN A 72 -5.206 -12.958 -8.751 1.00 0.76 C ATOM 1222 CD GLN A 72 -6.686 -12.796 -8.404 1.00 1.28 C ATOM 1223 OE1 GLN A 72 -7.282 -13.609 -7.709 1.00 1.32 O ATOM 1224 NE2 GLN A 72 -7.345 -11.758 -8.879 1.00 2.66 N ATOM 0 H GLN A 72 -3.476 -12.475 -11.227 1.00 0.61 H new ATOM 0 HA GLN A 72 -3.040 -14.400 -9.141 1.00 0.66 H new ATOM 0 HB2 GLN A 72 -5.375 -13.448 -10.853 1.00 0.68 H new ATOM 0 HB3 GLN A 72 -5.564 -14.825 -9.787 1.00 0.68 H new ATOM 0 HG2 GLN A 72 -4.670 -13.340 -7.882 1.00 0.76 H new ATOM 0 HG3 GLN A 72 -4.780 -11.983 -8.986 1.00 0.76 H new ATOM 0 HE21 GLN A 72 -6.864 -11.071 -9.460 1.00 2.66 H new ATOM 0 HE22 GLN A 72 -8.336 -11.642 -8.666 1.00 2.66 H new ATOM 1233 N ALA A 73 -3.278 -15.584 -12.192 1.00 0.74 N ATOM 1234 CA ALA A 73 -3.223 -16.787 -13.031 1.00 0.80 C ATOM 1235 C ALA A 73 -1.865 -17.497 -12.940 1.00 0.81 C ATOM 1236 O ALA A 73 -1.790 -18.725 -12.867 1.00 0.85 O ATOM 1237 CB ALA A 73 -3.540 -16.374 -14.480 1.00 0.84 C ATOM 0 H ALA A 73 -3.293 -14.722 -12.737 1.00 0.74 H new ATOM 0 HA ALA A 73 -3.960 -17.506 -12.674 1.00 0.80 H new ATOM 0 HB1 ALA A 73 -3.505 -17.252 -15.125 1.00 0.84 H new ATOM 0 HB2 ALA A 73 -4.535 -15.932 -14.523 1.00 0.84 H new ATOM 0 HB3 ALA A 73 -2.804 -15.645 -14.820 1.00 0.84 H new ATOM 1243 N LYS A 74 -0.786 -16.712 -12.912 1.00 0.80 N ATOM 1244 CA LYS A 74 0.592 -17.175 -12.700 1.00 0.86 C ATOM 1245 C LYS A 74 0.970 -17.265 -11.203 1.00 0.79 C ATOM 1246 O LYS A 74 2.064 -17.722 -10.867 1.00 0.81 O ATOM 1247 CB LYS A 74 1.510 -16.214 -13.478 1.00 0.95 C ATOM 1248 CG LYS A 74 1.803 -16.609 -14.934 1.00 0.91 C ATOM 1249 CD LYS A 74 0.632 -17.011 -15.844 1.00 1.14 C ATOM 1250 CE LYS A 74 -0.150 -15.784 -16.322 1.00 1.55 C ATOM 1251 NZ LYS A 74 -1.222 -16.159 -17.284 1.00 1.94 N ATOM 0 H LYS A 74 -0.847 -15.702 -13.040 1.00 0.80 H new ATOM 0 HA LYS A 74 0.705 -18.195 -13.069 1.00 0.86 H new ATOM 0 HB2 LYS A 74 1.056 -15.223 -13.473 1.00 0.95 H new ATOM 0 HB3 LYS A 74 2.457 -16.133 -12.945 1.00 0.95 H new ATOM 0 HG2 LYS A 74 2.315 -15.771 -15.406 1.00 0.91 H new ATOM 0 HG3 LYS A 74 2.506 -17.442 -14.915 1.00 0.91 H new ATOM 0 HD2 LYS A 74 1.011 -17.561 -16.705 1.00 1.14 H new ATOM 0 HD3 LYS A 74 -0.036 -17.683 -15.305 1.00 1.14 H new ATOM 0 HE2 LYS A 74 -0.591 -15.276 -15.464 1.00 1.55 H new ATOM 0 HE3 LYS A 74 0.533 -15.078 -16.794 1.00 1.55 H new ATOM 0 HZ1 LYS A 74 -1.731 -15.304 -17.587 1.00 1.94 H new ATOM 0 HZ2 LYS A 74 -0.798 -16.622 -18.113 1.00 1.94 H new ATOM 0 HZ3 LYS A 74 -1.887 -16.814 -16.825 1.00 1.94 H new ATOM 1265 N ASN A 75 0.074 -16.836 -10.304 1.00 0.73 N ATOM 1266 CA ASN A 75 0.204 -16.880 -8.843 1.00 0.70 C ATOM 1267 C ASN A 75 1.428 -16.086 -8.335 1.00 0.57 C ATOM 1268 O ASN A 75 2.237 -16.570 -7.539 1.00 0.57 O ATOM 1269 CB ASN A 75 0.113 -18.324 -8.319 1.00 0.89 C ATOM 1270 CG ASN A 75 -1.302 -18.890 -8.426 1.00 1.17 C ATOM 1271 OD1 ASN A 75 -2.106 -18.759 -7.510 1.00 2.57 O ATOM 1272 ND2 ASN A 75 -1.651 -19.529 -9.528 1.00 1.86 N ATOM 0 H ASN A 75 -0.813 -16.425 -10.595 1.00 0.73 H new ATOM 0 HA ASN A 75 -0.650 -16.358 -8.411 1.00 0.70 H new ATOM 0 HB2 ASN A 75 0.799 -18.957 -8.882 1.00 0.89 H new ATOM 0 HB3 ASN A 75 0.436 -18.352 -7.278 1.00 0.89 H new ATOM 0 HD21 ASN A 75 -2.591 -19.915 -9.618 1.00 1.86 H new ATOM 0 HD22 ASN A 75 -0.980 -19.637 -10.289 1.00 1.86 H new ATOM 1279 N PHE A 76 1.561 -14.840 -8.803 1.00 0.50 N ATOM 1280 CA PHE A 76 2.690 -13.949 -8.514 1.00 0.44 C ATOM 1281 C PHE A 76 2.863 -13.589 -7.028 1.00 0.40 C ATOM 1282 O PHE A 76 3.952 -13.156 -6.650 1.00 0.41 O ATOM 1283 CB PHE A 76 2.567 -12.692 -9.384 1.00 0.42 C ATOM 1284 CG PHE A 76 3.182 -12.832 -10.764 1.00 0.49 C ATOM 1285 CD1 PHE A 76 4.552 -12.570 -10.935 1.00 1.52 C ATOM 1286 CD2 PHE A 76 2.407 -13.201 -11.877 1.00 1.60 C ATOM 1287 CE1 PHE A 76 5.132 -12.623 -12.213 1.00 1.56 C ATOM 1288 CE2 PHE A 76 2.980 -13.225 -13.160 1.00 1.63 C ATOM 1289 CZ PHE A 76 4.342 -12.932 -13.330 1.00 0.68 C ATOM 0 H PHE A 76 0.864 -14.411 -9.412 1.00 0.50 H new ATOM 0 HA PHE A 76 3.598 -14.498 -8.762 1.00 0.44 H new ATOM 0 HB2 PHE A 76 1.512 -12.439 -9.492 1.00 0.42 H new ATOM 0 HB3 PHE A 76 3.043 -11.858 -8.868 1.00 0.42 H new ATOM 0 HD1 PHE A 76 5.163 -12.326 -10.078 1.00 1.52 H new ATOM 0 HD2 PHE A 76 1.368 -13.467 -11.746 1.00 1.60 H new ATOM 0 HE1 PHE A 76 6.187 -12.426 -12.336 1.00 1.56 H new ATOM 0 HE2 PHE A 76 2.371 -13.470 -14.017 1.00 1.63 H new ATOM 0 HZ PHE A 76 4.780 -12.944 -14.317 1.00 0.68 H new ATOM 1299 N LEU A 77 1.872 -13.856 -6.162 1.00 0.40 N ATOM 1300 CA LEU A 77 2.037 -13.778 -4.702 1.00 0.43 C ATOM 1301 C LEU A 77 3.213 -14.636 -4.184 1.00 0.48 C ATOM 1302 O LEU A 77 3.766 -14.337 -3.127 1.00 0.56 O ATOM 1303 CB LEU A 77 0.737 -14.180 -3.965 1.00 0.49 C ATOM 1304 CG LEU A 77 -0.444 -13.198 -4.113 1.00 0.63 C ATOM 1305 CD1 LEU A 77 -1.412 -13.624 -5.227 1.00 1.40 C ATOM 1306 CD2 LEU A 77 -1.271 -13.090 -2.824 1.00 0.89 C ATOM 0 H LEU A 77 0.935 -14.132 -6.454 1.00 0.40 H new ATOM 0 HA LEU A 77 2.267 -12.735 -4.485 1.00 0.43 H new ATOM 0 HB2 LEU A 77 0.421 -15.158 -4.330 1.00 0.49 H new ATOM 0 HB3 LEU A 77 0.962 -14.293 -2.904 1.00 0.49 H new ATOM 0 HG LEU A 77 0.015 -12.239 -4.352 1.00 0.63 H new ATOM 0 HD11 LEU A 77 -2.228 -12.904 -5.295 1.00 1.40 H new ATOM 0 HD12 LEU A 77 -0.880 -13.661 -6.177 1.00 1.40 H new ATOM 0 HD13 LEU A 77 -1.817 -14.610 -5.000 1.00 1.40 H new ATOM 0 HD21 LEU A 77 -2.091 -12.388 -2.975 1.00 0.89 H new ATOM 0 HD22 LEU A 77 -1.675 -14.069 -2.568 1.00 0.89 H new ATOM 0 HD23 LEU A 77 -0.635 -12.736 -2.012 1.00 0.89 H new ATOM 1318 N ALA A 78 3.629 -15.670 -4.926 1.00 0.48 N ATOM 1319 CA ALA A 78 4.788 -16.500 -4.597 1.00 0.55 C ATOM 1320 C ALA A 78 6.143 -15.788 -4.789 1.00 0.53 C ATOM 1321 O ALA A 78 7.129 -16.203 -4.176 1.00 0.59 O ATOM 1322 CB ALA A 78 4.711 -17.763 -5.465 1.00 0.61 C ATOM 0 H ALA A 78 3.160 -15.956 -5.785 1.00 0.48 H new ATOM 0 HA ALA A 78 4.746 -16.739 -3.534 1.00 0.55 H new ATOM 0 HB1 ALA A 78 5.562 -18.408 -5.246 1.00 0.61 H new ATOM 0 HB2 ALA A 78 3.786 -18.297 -5.249 1.00 0.61 H new ATOM 0 HB3 ALA A 78 4.730 -17.482 -6.518 1.00 0.61 H new ATOM 1328 N ILE A 79 6.218 -14.749 -5.636 1.00 0.47 N ATOM 1329 CA ILE A 79 7.491 -14.106 -6.035 1.00 0.47 C ATOM 1330 C ILE A 79 7.542 -12.593 -5.772 1.00 0.45 C ATOM 1331 O ILE A 79 8.623 -12.005 -5.805 1.00 0.48 O ATOM 1332 CB ILE A 79 7.872 -14.476 -7.496 1.00 0.49 C ATOM 1333 CG1 ILE A 79 7.090 -13.767 -8.628 1.00 0.50 C ATOM 1334 CG2 ILE A 79 7.733 -15.991 -7.734 1.00 0.53 C ATOM 1335 CD1 ILE A 79 7.598 -12.359 -8.957 1.00 0.50 C ATOM 0 H ILE A 79 5.397 -14.326 -6.068 1.00 0.47 H new ATOM 0 HA ILE A 79 8.257 -14.518 -5.377 1.00 0.47 H new ATOM 0 HB ILE A 79 8.901 -14.124 -7.562 1.00 0.49 H new ATOM 0 HG12 ILE A 79 7.142 -14.379 -9.528 1.00 0.50 H new ATOM 0 HG13 ILE A 79 6.039 -13.705 -8.345 1.00 0.50 H new ATOM 0 HG21 ILE A 79 8.005 -16.224 -8.763 1.00 0.53 H new ATOM 0 HG22 ILE A 79 8.393 -16.528 -7.053 1.00 0.53 H new ATOM 0 HG23 ILE A 79 6.702 -16.294 -7.554 1.00 0.53 H new ATOM 0 HD11 ILE A 79 6.996 -11.933 -9.760 1.00 0.50 H new ATOM 0 HD12 ILE A 79 7.520 -11.728 -8.072 1.00 0.50 H new ATOM 0 HD13 ILE A 79 8.640 -12.413 -9.274 1.00 0.50 H new ATOM 1347 N ASP A 80 6.406 -11.958 -5.478 1.00 0.44 N ATOM 1348 CA ASP A 80 6.296 -10.526 -5.200 1.00 0.49 C ATOM 1349 C ASP A 80 6.777 -10.203 -3.764 1.00 0.46 C ATOM 1350 O ASP A 80 6.232 -10.766 -2.806 1.00 0.51 O ATOM 1351 CB ASP A 80 4.832 -10.100 -5.420 1.00 0.63 C ATOM 1352 CG ASP A 80 4.579 -8.591 -5.296 1.00 0.99 C ATOM 1353 OD1 ASP A 80 5.422 -7.872 -4.713 1.00 2.05 O ATOM 1354 OD2 ASP A 80 3.508 -8.150 -5.767 1.00 2.16 O ATOM 0 H ASP A 80 5.510 -12.442 -5.425 1.00 0.44 H new ATOM 0 HA ASP A 80 6.939 -9.964 -5.877 1.00 0.49 H new ATOM 0 HB2 ASP A 80 4.517 -10.427 -6.411 1.00 0.63 H new ATOM 0 HB3 ASP A 80 4.204 -10.621 -4.698 1.00 0.63 H new ATOM 1359 N PRO A 81 7.753 -9.290 -3.576 1.00 0.49 N ATOM 1360 CA PRO A 81 8.254 -8.925 -2.256 1.00 0.52 C ATOM 1361 C PRO A 81 7.307 -8.002 -1.467 1.00 0.54 C ATOM 1362 O PRO A 81 7.490 -7.888 -0.258 1.00 0.59 O ATOM 1363 CB PRO A 81 9.615 -8.275 -2.515 1.00 0.57 C ATOM 1364 CG PRO A 81 9.428 -7.612 -3.877 1.00 0.58 C ATOM 1365 CD PRO A 81 8.514 -8.592 -4.609 1.00 0.58 C ATOM 0 HA PRO A 81 8.333 -9.805 -1.617 1.00 0.52 H new ATOM 0 HB2 PRO A 81 9.868 -7.547 -1.744 1.00 0.57 H new ATOM 0 HB3 PRO A 81 10.417 -9.013 -2.532 1.00 0.57 H new ATOM 0 HG2 PRO A 81 8.974 -6.625 -3.787 1.00 0.58 H new ATOM 0 HG3 PRO A 81 10.377 -7.480 -4.396 1.00 0.58 H new ATOM 0 HD2 PRO A 81 7.849 -8.066 -5.294 1.00 0.58 H new ATOM 0 HD3 PRO A 81 9.095 -9.295 -5.206 1.00 0.58 H new ATOM 1373 N VAL A 82 6.299 -7.368 -2.092 1.00 0.54 N ATOM 1374 CA VAL A 82 5.378 -6.404 -1.456 1.00 0.63 C ATOM 1375 C VAL A 82 4.515 -6.989 -0.317 1.00 0.61 C ATOM 1376 O VAL A 82 3.850 -6.242 0.402 1.00 0.73 O ATOM 1377 CB VAL A 82 4.480 -5.750 -2.538 1.00 0.86 C ATOM 1378 CG1 VAL A 82 3.139 -6.469 -2.767 1.00 2.98 C ATOM 1379 CG2 VAL A 82 4.242 -4.276 -2.236 1.00 1.83 C ATOM 0 H VAL A 82 6.095 -7.515 -3.081 1.00 0.54 H new ATOM 0 HA VAL A 82 6.009 -5.656 -0.977 1.00 0.63 H new ATOM 0 HB VAL A 82 5.039 -5.848 -3.469 1.00 0.86 H new ATOM 0 HG11 VAL A 82 2.573 -5.947 -3.539 1.00 2.98 H new ATOM 0 HG12 VAL A 82 3.326 -7.495 -3.085 1.00 2.98 H new ATOM 0 HG13 VAL A 82 2.567 -6.476 -1.839 1.00 2.98 H new ATOM 0 HG21 VAL A 82 3.609 -3.843 -3.011 1.00 1.83 H new ATOM 0 HG22 VAL A 82 3.749 -4.178 -1.269 1.00 1.83 H new ATOM 0 HG23 VAL A 82 5.197 -3.751 -2.212 1.00 1.83 H new ATOM 1389 N LEU A 83 4.506 -8.318 -0.161 1.00 0.60 N ATOM 1390 CA LEU A 83 3.792 -9.042 0.898 1.00 0.67 C ATOM 1391 C LEU A 83 4.703 -9.852 1.835 1.00 0.73 C ATOM 1392 O LEU A 83 4.222 -10.406 2.823 1.00 0.80 O ATOM 1393 CB LEU A 83 2.688 -9.894 0.237 1.00 0.67 C ATOM 1394 CG LEU A 83 3.151 -11.001 -0.742 1.00 0.63 C ATOM 1395 CD1 LEU A 83 3.626 -12.279 -0.031 1.00 0.73 C ATOM 1396 CD2 LEU A 83 1.977 -11.365 -1.658 1.00 0.72 C ATOM 0 H LEU A 83 5.013 -8.941 -0.790 1.00 0.60 H new ATOM 0 HA LEU A 83 3.340 -8.313 1.570 1.00 0.67 H new ATOM 0 HB2 LEU A 83 2.102 -10.363 1.027 1.00 0.67 H new ATOM 0 HB3 LEU A 83 2.018 -9.223 -0.301 1.00 0.67 H new ATOM 0 HG LEU A 83 3.999 -10.604 -1.300 1.00 0.63 H new ATOM 0 HD11 LEU A 83 3.936 -13.014 -0.773 1.00 0.73 H new ATOM 0 HD12 LEU A 83 4.468 -12.042 0.619 1.00 0.73 H new ATOM 0 HD13 LEU A 83 2.811 -12.688 0.566 1.00 0.73 H new ATOM 0 HD21 LEU A 83 2.287 -12.144 -2.354 1.00 0.72 H new ATOM 0 HD22 LEU A 83 1.144 -11.727 -1.055 1.00 0.72 H new ATOM 0 HD23 LEU A 83 1.664 -10.483 -2.217 1.00 0.72 H new ATOM 1408 N ASN A 84 6.001 -9.959 1.529 1.00 0.78 N ATOM 1409 CA ASN A 84 6.915 -10.894 2.191 1.00 0.90 C ATOM 1410 C ASN A 84 7.727 -10.171 3.291 1.00 0.93 C ATOM 1411 O ASN A 84 8.601 -9.366 2.949 1.00 0.89 O ATOM 1412 CB ASN A 84 7.805 -11.528 1.107 1.00 0.98 C ATOM 1413 CG ASN A 84 8.428 -12.843 1.569 1.00 1.35 C ATOM 1414 OD1 ASN A 84 7.743 -13.738 2.049 1.00 2.06 O ATOM 1415 ND2 ASN A 84 9.730 -13.010 1.422 1.00 1.57 N ATOM 0 H ASN A 84 6.450 -9.394 0.808 1.00 0.78 H new ATOM 0 HA ASN A 84 6.367 -11.687 2.700 1.00 0.90 H new ATOM 0 HB2 ASN A 84 7.212 -11.704 0.210 1.00 0.98 H new ATOM 0 HB3 ASN A 84 8.596 -10.829 0.834 1.00 0.98 H new ATOM 0 HD21 ASN A 84 10.167 -13.886 1.708 1.00 1.57 H new ATOM 0 HD22 ASN A 84 10.298 -12.263 1.022 1.00 1.57 H new ATOM 1422 N PRO A 85 7.455 -10.408 4.593 1.00 1.00 N ATOM 1423 CA PRO A 85 7.838 -9.494 5.674 1.00 0.95 C ATOM 1424 C PRO A 85 9.353 -9.360 5.892 1.00 0.85 C ATOM 1425 O PRO A 85 9.805 -8.332 6.393 1.00 0.83 O ATOM 1426 CB PRO A 85 7.119 -10.010 6.927 1.00 1.06 C ATOM 1427 CG PRO A 85 6.870 -11.485 6.630 1.00 1.14 C ATOM 1428 CD PRO A 85 6.620 -11.477 5.124 1.00 1.12 C ATOM 0 HA PRO A 85 7.540 -8.478 5.416 1.00 0.95 H new ATOM 0 HB2 PRO A 85 7.731 -9.881 7.820 1.00 1.06 H new ATOM 0 HB3 PRO A 85 6.185 -9.475 7.100 1.00 1.06 H new ATOM 0 HG2 PRO A 85 7.727 -12.104 6.896 1.00 1.14 H new ATOM 0 HG3 PRO A 85 6.014 -11.872 7.182 1.00 1.14 H new ATOM 0 HD2 PRO A 85 6.882 -12.437 4.678 1.00 1.12 H new ATOM 0 HD3 PRO A 85 5.568 -11.299 4.902 1.00 1.12 H new ATOM 1436 N GLU A 86 10.146 -10.356 5.485 1.00 0.87 N ATOM 1437 CA GLU A 86 11.608 -10.359 5.604 1.00 0.89 C ATOM 1438 C GLU A 86 12.294 -9.321 4.696 1.00 0.84 C ATOM 1439 O GLU A 86 13.404 -8.877 4.998 1.00 0.90 O ATOM 1440 CB GLU A 86 12.162 -11.754 5.283 1.00 1.02 C ATOM 1441 CG GLU A 86 11.620 -12.842 6.222 1.00 1.15 C ATOM 1442 CD GLU A 86 10.434 -13.630 5.635 1.00 1.75 C ATOM 1443 OE1 GLU A 86 9.579 -13.030 4.944 1.00 2.98 O ATOM 1444 OE2 GLU A 86 10.351 -14.858 5.881 1.00 2.68 O ATOM 0 H GLU A 86 9.780 -11.204 5.053 1.00 0.87 H new ATOM 0 HA GLU A 86 11.831 -10.086 6.635 1.00 0.89 H new ATOM 0 HB2 GLU A 86 11.911 -12.011 4.254 1.00 1.02 H new ATOM 0 HB3 GLU A 86 13.250 -11.732 5.350 1.00 1.02 H new ATOM 0 HG2 GLU A 86 12.425 -13.537 6.461 1.00 1.15 H new ATOM 0 HG3 GLU A 86 11.310 -12.380 7.159 1.00 1.15 H new ATOM 1451 N ASN A 87 11.651 -8.917 3.592 1.00 0.78 N ATOM 1452 CA ASN A 87 12.215 -7.963 2.629 1.00 0.78 C ATOM 1453 C ASN A 87 12.123 -6.496 3.109 1.00 0.76 C ATOM 1454 O ASN A 87 12.797 -5.619 2.563 1.00 0.83 O ATOM 1455 CB ASN A 87 11.519 -8.155 1.265 1.00 0.80 C ATOM 1456 CG ASN A 87 12.477 -7.993 0.084 1.00 1.10 C ATOM 1457 OD1 ASN A 87 12.573 -8.857 -0.777 1.00 2.37 O ATOM 1458 ND2 ASN A 87 13.233 -6.912 0.010 1.00 1.84 N ATOM 0 H ASN A 87 10.719 -9.246 3.341 1.00 0.78 H new ATOM 0 HA ASN A 87 13.280 -8.171 2.531 1.00 0.78 H new ATOM 0 HB2 ASN A 87 11.069 -9.147 1.228 1.00 0.80 H new ATOM 0 HB3 ASN A 87 10.708 -7.433 1.171 1.00 0.80 H new ATOM 0 HD21 ASN A 87 13.891 -6.802 -0.761 1.00 1.84 H new ATOM 0 HD22 ASN A 87 13.158 -6.188 0.724 1.00 1.84 H new ATOM 1465 N PHE A 88 11.292 -6.220 4.121 1.00 0.74 N ATOM 1466 CA PHE A 88 11.036 -4.888 4.671 1.00 0.75 C ATOM 1467 C PHE A 88 12.078 -4.536 5.746 1.00 0.80 C ATOM 1468 O PHE A 88 11.770 -4.427 6.932 1.00 0.84 O ATOM 1469 CB PHE A 88 9.601 -4.845 5.215 1.00 0.75 C ATOM 1470 CG PHE A 88 8.556 -4.969 4.132 1.00 0.74 C ATOM 1471 CD1 PHE A 88 8.108 -6.234 3.711 1.00 2.33 C ATOM 1472 CD2 PHE A 88 8.055 -3.808 3.522 1.00 1.58 C ATOM 1473 CE1 PHE A 88 7.140 -6.338 2.697 1.00 2.36 C ATOM 1474 CE2 PHE A 88 7.075 -3.910 2.525 1.00 1.55 C ATOM 1475 CZ PHE A 88 6.621 -5.171 2.112 1.00 0.76 C ATOM 0 H PHE A 88 10.760 -6.949 4.596 1.00 0.74 H new ATOM 0 HA PHE A 88 11.131 -4.134 3.889 1.00 0.75 H new ATOM 0 HB2 PHE A 88 9.467 -5.652 5.936 1.00 0.75 H new ATOM 0 HB3 PHE A 88 9.450 -3.909 5.753 1.00 0.75 H new ATOM 0 HD1 PHE A 88 8.508 -7.127 4.168 1.00 2.33 H new ATOM 0 HD2 PHE A 88 8.424 -2.838 3.820 1.00 1.58 H new ATOM 0 HE1 PHE A 88 6.798 -7.309 2.370 1.00 2.36 H new ATOM 0 HE2 PHE A 88 6.669 -3.016 2.074 1.00 1.55 H new ATOM 0 HZ PHE A 88 5.869 -5.245 1.341 1.00 0.76 H new ATOM 1485 N SER A 89 13.339 -4.374 5.343 1.00 0.82 N ATOM 1486 CA SER A 89 14.488 -4.376 6.272 1.00 0.90 C ATOM 1487 C SER A 89 14.575 -3.122 7.164 1.00 0.91 C ATOM 1488 O SER A 89 15.243 -3.137 8.200 1.00 1.01 O ATOM 1489 CB SER A 89 15.791 -4.518 5.469 1.00 0.93 C ATOM 1490 OG SER A 89 15.763 -5.650 4.605 1.00 1.01 O ATOM 0 H SER A 89 13.601 -4.237 4.367 1.00 0.82 H new ATOM 0 HA SER A 89 14.340 -5.222 6.943 1.00 0.90 H new ATOM 0 HB2 SER A 89 15.954 -3.616 4.880 1.00 0.93 H new ATOM 0 HB3 SER A 89 16.633 -4.607 6.156 1.00 0.93 H new ATOM 0 HG SER A 89 16.607 -5.705 4.111 1.00 1.01 H new ATOM 1496 N GLN A 90 13.877 -2.044 6.792 1.00 0.84 N ATOM 1497 CA GLN A 90 13.640 -0.846 7.610 1.00 0.87 C ATOM 1498 C GLN A 90 12.133 -0.499 7.657 1.00 0.83 C ATOM 1499 O GLN A 90 11.756 0.667 7.779 1.00 0.85 O ATOM 1500 CB GLN A 90 14.512 0.314 7.080 1.00 0.90 C ATOM 1501 CG GLN A 90 16.023 0.116 7.303 1.00 0.94 C ATOM 1502 CD GLN A 90 16.433 0.214 8.777 1.00 1.97 C ATOM 1503 OE1 GLN A 90 16.771 1.275 9.288 1.00 2.35 O ATOM 1504 NE2 GLN A 90 16.410 -0.871 9.525 1.00 3.59 N ATOM 0 H GLN A 90 13.442 -1.978 5.872 1.00 0.84 H new ATOM 0 HA GLN A 90 13.935 -1.036 8.642 1.00 0.87 H new ATOM 0 HB2 GLN A 90 14.326 0.436 6.013 1.00 0.90 H new ATOM 0 HB3 GLN A 90 14.202 1.239 7.566 1.00 0.90 H new ATOM 0 HG2 GLN A 90 16.316 -0.859 6.915 1.00 0.94 H new ATOM 0 HG3 GLN A 90 16.570 0.865 6.730 1.00 0.94 H new ATOM 0 HE21 GLN A 90 16.132 -1.764 9.119 1.00 3.59 H new ATOM 0 HE22 GLN A 90 16.671 -0.817 10.510 1.00 3.59 H new ATOM 1513 N GLY A 91 11.255 -1.506 7.518 1.00 0.80 N ATOM 1514 CA GLY A 91 9.792 -1.339 7.513 1.00 0.79 C ATOM 1515 C GLY A 91 9.233 -0.750 6.212 1.00 0.72 C ATOM 1516 O GLY A 91 8.081 -0.328 6.180 1.00 0.74 O ATOM 0 H GLY A 91 11.547 -2.477 7.404 1.00 0.80 H new ATOM 0 HA2 GLY A 91 9.326 -2.308 7.690 1.00 0.79 H new ATOM 0 HA3 GLY A 91 9.508 -0.692 8.343 1.00 0.79 H new ATOM 1520 N HIS A 92 10.042 -0.704 5.151 1.00 0.67 N ATOM 1521 CA HIS A 92 9.787 0.023 3.904 1.00 0.64 C ATOM 1522 C HIS A 92 10.285 -0.775 2.680 1.00 0.65 C ATOM 1523 O HIS A 92 11.144 -1.652 2.824 1.00 0.75 O ATOM 1524 CB HIS A 92 10.497 1.386 3.994 1.00 0.78 C ATOM 1525 CG HIS A 92 10.220 2.269 2.804 1.00 0.67 C ATOM 1526 ND1 HIS A 92 8.990 2.759 2.450 1.00 0.58 N ATOM 1527 CD2 HIS A 92 11.089 2.609 1.802 1.00 0.74 C ATOM 1528 CE1 HIS A 92 9.096 3.357 1.258 1.00 0.56 C ATOM 1529 NE2 HIS A 92 10.367 3.307 0.825 1.00 0.64 N ATOM 0 H HIS A 92 10.935 -1.196 5.137 1.00 0.67 H new ATOM 0 HA HIS A 92 8.714 0.166 3.774 1.00 0.64 H new ATOM 0 HB2 HIS A 92 10.178 1.897 4.902 1.00 0.78 H new ATOM 0 HB3 HIS A 92 11.572 1.226 4.079 1.00 0.78 H new ATOM 0 HD2 HIS A 92 12.144 2.380 1.770 1.00 0.74 H new ATOM 0 HE1 HIS A 92 8.278 3.814 0.721 1.00 0.56 H new ATOM 0 HE2 HIS A 92 10.733 3.699 -0.042 1.00 0.64 H new ATOM 1537 N LEU A 93 9.769 -0.469 1.479 1.00 0.60 N ATOM 1538 CA LEU A 93 10.154 -1.123 0.224 1.00 0.60 C ATOM 1539 C LEU A 93 10.077 -0.151 -0.970 1.00 0.59 C ATOM 1540 O LEU A 93 9.151 0.655 -1.064 1.00 0.57 O ATOM 1541 CB LEU A 93 9.248 -2.356 0.033 1.00 0.59 C ATOM 1542 CG LEU A 93 9.852 -3.513 -0.775 1.00 0.74 C ATOM 1543 CD1 LEU A 93 10.988 -4.189 0.001 1.00 0.97 C ATOM 1544 CD2 LEU A 93 8.770 -4.569 -1.021 1.00 1.74 C ATOM 0 H LEU A 93 9.060 0.253 1.354 1.00 0.60 H new ATOM 0 HA LEU A 93 11.195 -1.443 0.273 1.00 0.60 H new ATOM 0 HB2 LEU A 93 8.968 -2.733 1.017 1.00 0.59 H new ATOM 0 HB3 LEU A 93 8.330 -2.035 -0.459 1.00 0.59 H new ATOM 0 HG LEU A 93 10.237 -3.109 -1.711 1.00 0.74 H new ATOM 0 HD11 LEU A 93 11.399 -5.005 -0.593 1.00 0.97 H new ATOM 0 HD12 LEU A 93 11.772 -3.460 0.207 1.00 0.97 H new ATOM 0 HD13 LEU A 93 10.602 -4.583 0.941 1.00 0.97 H new ATOM 0 HD21 LEU A 93 9.191 -5.395 -1.595 1.00 1.74 H new ATOM 0 HD22 LEU A 93 8.402 -4.942 -0.065 1.00 1.74 H new ATOM 0 HD23 LEU A 93 7.946 -4.123 -1.578 1.00 1.74 H new ATOM 1556 N MET A 94 11.038 -0.247 -1.896 1.00 0.60 N ATOM 1557 CA MET A 94 11.165 0.626 -3.076 1.00 0.58 C ATOM 1558 C MET A 94 11.250 -0.178 -4.375 1.00 0.60 C ATOM 1559 O MET A 94 11.801 -1.279 -4.400 1.00 0.75 O ATOM 1560 CB MET A 94 12.420 1.503 -2.950 1.00 0.68 C ATOM 1561 CG MET A 94 12.270 2.539 -1.837 1.00 0.81 C ATOM 1562 SD MET A 94 13.720 3.599 -1.642 1.00 0.84 S ATOM 1563 CE MET A 94 12.955 4.907 -0.655 1.00 0.88 C ATOM 0 H MET A 94 11.772 -0.954 -1.847 1.00 0.60 H new ATOM 0 HA MET A 94 10.271 1.248 -3.115 1.00 0.58 H new ATOM 0 HB2 MET A 94 13.286 0.873 -2.748 1.00 0.68 H new ATOM 0 HB3 MET A 94 12.608 2.009 -3.897 1.00 0.68 H new ATOM 0 HG2 MET A 94 11.400 3.161 -2.045 1.00 0.81 H new ATOM 0 HG3 MET A 94 12.076 2.025 -0.896 1.00 0.81 H new ATOM 0 HE1 MET A 94 13.610 5.778 -0.635 1.00 0.88 H new ATOM 0 HE2 MET A 94 11.997 5.183 -1.096 1.00 0.88 H new ATOM 0 HE3 MET A 94 12.796 4.549 0.362 1.00 0.88 H new ATOM 1573 N TRP A 95 10.719 0.381 -5.464 1.00 0.55 N ATOM 1574 CA TRP A 95 10.642 -0.298 -6.756 1.00 0.55 C ATOM 1575 C TRP A 95 11.887 0.024 -7.601 1.00 0.62 C ATOM 1576 O TRP A 95 12.064 1.148 -8.082 1.00 0.66 O ATOM 1577 CB TRP A 95 9.339 0.102 -7.466 1.00 0.49 C ATOM 1578 CG TRP A 95 8.019 -0.300 -6.851 1.00 0.47 C ATOM 1579 CD1 TRP A 95 7.723 -0.395 -5.532 1.00 0.54 C ATOM 1580 CD2 TRP A 95 6.756 -0.572 -7.542 1.00 0.45 C ATOM 1581 NE1 TRP A 95 6.382 -0.662 -5.360 1.00 0.56 N ATOM 1582 CE2 TRP A 95 5.729 -0.753 -6.567 1.00 0.52 C ATOM 1583 CE3 TRP A 95 6.359 -0.615 -8.898 1.00 0.48 C ATOM 1584 CZ2 TRP A 95 4.383 -0.934 -6.912 1.00 0.62 C ATOM 1585 CZ3 TRP A 95 5.012 -0.813 -9.256 1.00 0.59 C ATOM 1586 CH2 TRP A 95 4.025 -0.962 -8.268 1.00 0.65 C ATOM 0 H TRP A 95 10.328 1.323 -5.473 1.00 0.55 H new ATOM 0 HA TRP A 95 10.626 -1.378 -6.609 1.00 0.55 H new ATOM 0 HB2 TRP A 95 9.339 1.187 -7.567 1.00 0.49 H new ATOM 0 HB3 TRP A 95 9.373 -0.312 -8.474 1.00 0.49 H new ATOM 0 HD1 TRP A 95 8.437 -0.278 -4.730 1.00 0.54 H new ATOM 0 HE1 TRP A 95 5.931 -0.777 -4.452 1.00 0.56 H new ATOM 0 HE3 TRP A 95 7.102 -0.494 -9.673 1.00 0.48 H new ATOM 0 HZ2 TRP A 95 3.632 -1.050 -6.145 1.00 0.62 H new ATOM 0 HZ3 TRP A 95 4.735 -0.851 -10.299 1.00 0.59 H new ATOM 0 HH2 TRP A 95 2.992 -1.098 -8.552 1.00 0.65 H new ATOM 1597 N ASN A 96 12.733 -0.986 -7.797 1.00 0.68 N ATOM 1598 CA ASN A 96 14.007 -0.923 -8.518 1.00 0.67 C ATOM 1599 C ASN A 96 14.213 -2.209 -9.327 1.00 0.63 C ATOM 1600 O ASN A 96 13.855 -3.291 -8.862 1.00 0.59 O ATOM 1601 CB ASN A 96 15.169 -0.740 -7.515 1.00 0.77 C ATOM 1602 CG ASN A 96 15.806 0.640 -7.619 1.00 1.22 C ATOM 1603 OD1 ASN A 96 15.191 1.650 -7.303 1.00 1.69 O ATOM 1604 ND2 ASN A 96 17.040 0.732 -8.084 1.00 2.15 N ATOM 0 H ASN A 96 12.539 -1.921 -7.439 1.00 0.68 H new ATOM 0 HA ASN A 96 13.989 -0.073 -9.201 1.00 0.67 H new ATOM 0 HB2 ASN A 96 14.799 -0.892 -6.501 1.00 0.77 H new ATOM 0 HB3 ASN A 96 15.926 -1.503 -7.696 1.00 0.77 H new ATOM 0 HD21 ASN A 96 17.482 1.646 -8.180 1.00 2.15 H new ATOM 0 HD22 ASN A 96 17.550 -0.111 -8.347 1.00 2.15 H new ATOM 1611 N ASP A 97 14.868 -2.108 -10.487 1.00 0.68 N ATOM 1612 CA ASP A 97 15.267 -3.253 -11.318 1.00 0.64 C ATOM 1613 C ASP A 97 16.112 -4.277 -10.530 1.00 0.56 C ATOM 1614 O ASP A 97 16.047 -5.476 -10.790 1.00 0.56 O ATOM 1615 CB ASP A 97 16.067 -2.741 -12.527 1.00 0.69 C ATOM 1616 CG ASP A 97 15.303 -1.707 -13.367 1.00 1.21 C ATOM 1617 OD1 ASP A 97 15.266 -0.519 -12.964 1.00 1.84 O ATOM 1618 OD2 ASP A 97 14.749 -2.084 -14.427 1.00 2.32 O ATOM 0 H ASP A 97 15.143 -1.210 -10.885 1.00 0.68 H new ATOM 0 HA ASP A 97 14.362 -3.763 -11.647 1.00 0.64 H new ATOM 0 HB2 ASP A 97 16.998 -2.297 -12.176 1.00 0.69 H new ATOM 0 HB3 ASP A 97 16.336 -3.586 -13.160 1.00 0.69 H new ATOM 1623 N ASP A 98 16.882 -3.795 -9.548 1.00 0.56 N ATOM 1624 CA ASP A 98 17.721 -4.579 -8.637 1.00 0.58 C ATOM 1625 C ASP A 98 16.900 -5.389 -7.616 1.00 0.55 C ATOM 1626 O ASP A 98 17.151 -6.576 -7.410 1.00 0.62 O ATOM 1627 CB ASP A 98 18.631 -3.616 -7.859 1.00 0.66 C ATOM 1628 CG ASP A 98 19.341 -2.585 -8.748 1.00 1.76 C ATOM 1629 OD1 ASP A 98 20.464 -2.868 -9.231 1.00 2.31 O ATOM 1630 OD2 ASP A 98 18.758 -1.490 -8.942 1.00 3.08 O ATOM 0 H ASP A 98 16.939 -2.794 -9.358 1.00 0.56 H new ATOM 0 HA ASP A 98 18.290 -5.284 -9.244 1.00 0.58 H new ATOM 0 HB2 ASP A 98 18.035 -3.090 -7.113 1.00 0.66 H new ATOM 0 HB3 ASP A 98 19.380 -4.195 -7.319 1.00 0.66 H new ATOM 1635 N LEU A 99 15.896 -4.759 -6.989 1.00 0.51 N ATOM 1636 CA LEU A 99 15.006 -5.402 -6.014 1.00 0.57 C ATOM 1637 C LEU A 99 14.054 -6.391 -6.701 1.00 0.49 C ATOM 1638 O LEU A 99 13.705 -7.427 -6.135 1.00 0.57 O ATOM 1639 CB LEU A 99 14.292 -4.296 -5.209 1.00 0.70 C ATOM 1640 CG LEU A 99 13.517 -4.831 -3.982 1.00 0.82 C ATOM 1641 CD1 LEU A 99 13.715 -3.906 -2.772 1.00 2.21 C ATOM 1642 CD2 LEU A 99 12.015 -4.977 -4.270 1.00 2.04 C ATOM 0 H LEU A 99 15.677 -3.775 -7.148 1.00 0.51 H new ATOM 0 HA LEU A 99 15.574 -6.011 -5.311 1.00 0.57 H new ATOM 0 HB2 LEU A 99 15.030 -3.567 -4.874 1.00 0.70 H new ATOM 0 HB3 LEU A 99 13.599 -3.769 -5.865 1.00 0.70 H new ATOM 0 HG LEU A 99 13.920 -5.819 -3.759 1.00 0.82 H new ATOM 0 HD11 LEU A 99 13.162 -4.299 -1.919 1.00 2.21 H new ATOM 0 HD12 LEU A 99 14.775 -3.853 -2.524 1.00 2.21 H new ATOM 0 HD13 LEU A 99 13.349 -2.908 -3.013 1.00 2.21 H new ATOM 0 HD21 LEU A 99 11.509 -5.355 -3.382 1.00 2.04 H new ATOM 0 HD22 LEU A 99 11.600 -4.005 -4.538 1.00 2.04 H new ATOM 0 HD23 LEU A 99 11.869 -5.674 -5.095 1.00 2.04 H new ATOM 1654 N PHE A 100 13.709 -6.103 -7.958 1.00 0.44 N ATOM 1655 CA PHE A 100 12.919 -6.945 -8.848 1.00 0.45 C ATOM 1656 C PHE A 100 13.802 -7.862 -9.727 1.00 0.46 C ATOM 1657 O PHE A 100 13.327 -8.416 -10.715 1.00 0.48 O ATOM 1658 CB PHE A 100 11.992 -6.038 -9.675 1.00 0.49 C ATOM 1659 CG PHE A 100 10.781 -5.509 -8.922 1.00 0.54 C ATOM 1660 CD1 PHE A 100 10.924 -4.611 -7.844 1.00 2.26 C ATOM 1661 CD2 PHE A 100 9.491 -5.922 -9.306 1.00 2.17 C ATOM 1662 CE1 PHE A 100 9.791 -4.134 -7.162 1.00 2.32 C ATOM 1663 CE2 PHE A 100 8.359 -5.413 -8.647 1.00 2.17 C ATOM 1664 CZ PHE A 100 8.505 -4.522 -7.571 1.00 0.70 C ATOM 0 H PHE A 100 13.990 -5.229 -8.402 1.00 0.44 H new ATOM 0 HA PHE A 100 12.311 -7.630 -8.257 1.00 0.45 H new ATOM 0 HB2 PHE A 100 12.570 -5.192 -10.045 1.00 0.49 H new ATOM 0 HB3 PHE A 100 11.646 -6.594 -10.547 1.00 0.49 H new ATOM 0 HD1 PHE A 100 11.909 -4.288 -7.541 1.00 2.26 H new ATOM 0 HD2 PHE A 100 9.371 -6.633 -10.110 1.00 2.17 H new ATOM 0 HE1 PHE A 100 9.910 -3.467 -6.321 1.00 2.32 H new ATOM 0 HE2 PHE A 100 7.372 -5.708 -8.970 1.00 2.17 H new ATOM 0 HZ PHE A 100 7.634 -4.138 -7.062 1.00 0.70 H new ATOM 1674 N SER A 101 15.085 -8.051 -9.396 1.00 0.50 N ATOM 1675 CA SER A 101 16.029 -8.810 -10.241 1.00 0.55 C ATOM 1676 C SER A 101 15.704 -10.319 -10.319 1.00 0.58 C ATOM 1677 O SER A 101 15.957 -10.951 -11.348 1.00 0.69 O ATOM 1678 CB SER A 101 17.467 -8.544 -9.766 1.00 0.64 C ATOM 1679 OG SER A 101 18.434 -9.213 -10.565 1.00 0.74 O ATOM 0 H SER A 101 15.502 -7.686 -8.540 1.00 0.50 H new ATOM 0 HA SER A 101 15.923 -8.453 -11.265 1.00 0.55 H new ATOM 0 HB2 SER A 101 17.661 -7.472 -9.787 1.00 0.64 H new ATOM 0 HB3 SER A 101 17.570 -8.866 -8.730 1.00 0.64 H new ATOM 0 HG SER A 101 19.332 -9.014 -10.227 1.00 0.74 H new ATOM 1685 N GLU A 102 15.061 -10.898 -9.295 1.00 0.58 N ATOM 1686 CA GLU A 102 14.405 -12.215 -9.396 1.00 0.63 C ATOM 1687 C GLU A 102 12.931 -12.109 -9.835 1.00 0.57 C ATOM 1688 O GLU A 102 12.437 -12.973 -10.560 1.00 0.70 O ATOM 1689 CB GLU A 102 14.572 -13.006 -8.088 1.00 0.84 C ATOM 1690 CG GLU A 102 13.878 -12.407 -6.857 1.00 1.91 C ATOM 1691 CD GLU A 102 14.247 -13.210 -5.600 1.00 1.87 C ATOM 1692 OE1 GLU A 102 13.628 -14.270 -5.347 1.00 2.50 O ATOM 1693 OE2 GLU A 102 15.169 -12.789 -4.859 1.00 2.59 O ATOM 0 H GLU A 102 14.980 -10.469 -8.373 1.00 0.58 H new ATOM 0 HA GLU A 102 14.907 -12.773 -10.187 1.00 0.63 H new ATOM 0 HB2 GLU A 102 14.190 -14.015 -8.243 1.00 0.84 H new ATOM 0 HB3 GLU A 102 15.637 -13.098 -7.874 1.00 0.84 H new ATOM 0 HG2 GLU A 102 14.175 -11.366 -6.733 1.00 1.91 H new ATOM 0 HG3 GLU A 102 12.797 -12.415 -6.999 1.00 1.91 H new ATOM 1700 N ALA A 103 12.235 -11.022 -9.478 1.00 0.47 N ATOM 1701 CA ALA A 103 10.856 -10.725 -9.882 1.00 0.42 C ATOM 1702 C ALA A 103 10.758 -10.068 -11.278 1.00 0.40 C ATOM 1703 O ALA A 103 9.909 -9.210 -11.518 1.00 0.40 O ATOM 1704 CB ALA A 103 10.185 -9.909 -8.763 1.00 0.41 C ATOM 0 H ALA A 103 12.632 -10.299 -8.878 1.00 0.47 H new ATOM 0 HA ALA A 103 10.309 -11.660 -10.006 1.00 0.42 H new ATOM 0 HB1 ALA A 103 9.158 -9.679 -9.046 1.00 0.41 H new ATOM 0 HB2 ALA A 103 10.186 -10.488 -7.840 1.00 0.41 H new ATOM 0 HB3 ALA A 103 10.736 -8.981 -8.609 1.00 0.41 H new ATOM 1710 N GLN A 104 11.608 -10.476 -12.223 1.00 0.41 N ATOM 1711 CA GLN A 104 11.620 -9.957 -13.596 1.00 0.40 C ATOM 1712 C GLN A 104 10.297 -10.142 -14.369 1.00 0.38 C ATOM 1713 O GLN A 104 9.925 -9.194 -15.066 1.00 0.38 O ATOM 1714 CB GLN A 104 12.796 -10.558 -14.384 1.00 0.47 C ATOM 1715 CG GLN A 104 14.116 -9.844 -14.057 1.00 0.60 C ATOM 1716 CD GLN A 104 15.297 -10.437 -14.832 1.00 0.70 C ATOM 1717 OE1 GLN A 104 15.381 -10.357 -16.053 1.00 0.89 O ATOM 1718 NE2 GLN A 104 16.248 -11.063 -14.170 1.00 1.03 N ATOM 0 H GLN A 104 12.319 -11.187 -12.055 1.00 0.41 H new ATOM 0 HA GLN A 104 11.746 -8.879 -13.499 1.00 0.40 H new ATOM 0 HB2 GLN A 104 12.887 -11.619 -14.151 1.00 0.47 H new ATOM 0 HB3 GLN A 104 12.595 -10.483 -15.453 1.00 0.47 H new ATOM 0 HG2 GLN A 104 14.023 -8.784 -14.293 1.00 0.60 H new ATOM 0 HG3 GLN A 104 14.312 -9.916 -12.987 1.00 0.60 H new ATOM 0 HE21 GLN A 104 16.196 -11.140 -13.154 1.00 1.03 H new ATOM 0 HE22 GLN A 104 17.036 -11.471 -14.673 1.00 1.03 H new ATOM 1727 N PRO A 105 9.552 -11.269 -14.271 1.00 0.41 N ATOM 1728 CA PRO A 105 8.285 -11.403 -14.988 1.00 0.42 C ATOM 1729 C PRO A 105 7.157 -10.578 -14.348 1.00 0.38 C ATOM 1730 O PRO A 105 6.185 -10.261 -15.031 1.00 0.41 O ATOM 1731 CB PRO A 105 7.999 -12.905 -15.039 1.00 0.50 C ATOM 1732 CG PRO A 105 8.702 -13.471 -13.809 1.00 0.51 C ATOM 1733 CD PRO A 105 9.855 -12.504 -13.550 1.00 0.46 C ATOM 0 HA PRO A 105 8.348 -10.995 -15.997 1.00 0.42 H new ATOM 0 HB2 PRO A 105 6.928 -13.106 -15.011 1.00 0.50 H new ATOM 0 HB3 PRO A 105 8.384 -13.351 -15.956 1.00 0.50 H new ATOM 0 HG2 PRO A 105 8.027 -13.522 -12.954 1.00 0.51 H new ATOM 0 HG3 PRO A 105 9.065 -14.483 -13.990 1.00 0.51 H new ATOM 0 HD2 PRO A 105 9.963 -12.310 -12.483 1.00 0.46 H new ATOM 0 HD3 PRO A 105 10.798 -12.929 -13.893 1.00 0.46 H new ATOM 1741 N LEU A 106 7.303 -10.163 -13.079 1.00 0.37 N ATOM 1742 CA LEU A 106 6.430 -9.173 -12.442 1.00 0.35 C ATOM 1743 C LEU A 106 6.777 -7.776 -12.953 1.00 0.31 C ATOM 1744 O LEU A 106 5.895 -7.028 -13.368 1.00 0.32 O ATOM 1745 CB LEU A 106 6.589 -9.293 -10.911 1.00 0.39 C ATOM 1746 CG LEU A 106 5.609 -8.451 -10.079 1.00 0.45 C ATOM 1747 CD1 LEU A 106 4.209 -9.077 -10.063 1.00 1.55 C ATOM 1748 CD2 LEU A 106 6.106 -8.351 -8.629 1.00 1.18 C ATOM 0 H LEU A 106 8.038 -10.511 -12.464 1.00 0.37 H new ATOM 0 HA LEU A 106 5.385 -9.355 -12.693 1.00 0.35 H new ATOM 0 HB2 LEU A 106 6.470 -10.340 -10.631 1.00 0.39 H new ATOM 0 HB3 LEU A 106 7.606 -9.005 -10.645 1.00 0.39 H new ATOM 0 HG LEU A 106 5.555 -7.463 -10.537 1.00 0.45 H new ATOM 0 HD11 LEU A 106 3.540 -8.457 -9.466 1.00 1.55 H new ATOM 0 HD12 LEU A 106 3.829 -9.144 -11.082 1.00 1.55 H new ATOM 0 HD13 LEU A 106 4.262 -10.076 -9.629 1.00 1.55 H new ATOM 0 HD21 LEU A 106 5.407 -7.753 -8.045 1.00 1.18 H new ATOM 0 HD22 LEU A 106 6.176 -9.350 -8.199 1.00 1.18 H new ATOM 0 HD23 LEU A 106 7.088 -7.879 -8.613 1.00 1.18 H new ATOM 1760 N TRP A 107 8.070 -7.452 -12.983 1.00 0.33 N ATOM 1761 CA TRP A 107 8.598 -6.163 -13.416 1.00 0.37 C ATOM 1762 C TRP A 107 8.248 -5.871 -14.873 1.00 0.38 C ATOM 1763 O TRP A 107 7.762 -4.786 -15.171 1.00 0.41 O ATOM 1764 CB TRP A 107 10.115 -6.161 -13.204 1.00 0.45 C ATOM 1765 CG TRP A 107 10.783 -4.821 -13.245 1.00 0.62 C ATOM 1766 CD1 TRP A 107 11.832 -4.490 -14.031 1.00 0.79 C ATOM 1767 CD2 TRP A 107 10.509 -3.636 -12.431 1.00 1.60 C ATOM 1768 NE1 TRP A 107 12.232 -3.199 -13.753 1.00 1.06 N ATOM 1769 CE2 TRP A 107 11.466 -2.629 -12.758 1.00 1.70 C ATOM 1770 CE3 TRP A 107 9.564 -3.317 -11.433 1.00 2.64 C ATOM 1771 CZ2 TRP A 107 11.501 -1.383 -12.112 1.00 2.69 C ATOM 1772 CZ3 TRP A 107 9.590 -2.074 -10.777 1.00 3.66 C ATOM 1773 CH2 TRP A 107 10.557 -1.108 -11.108 1.00 3.67 C ATOM 0 H TRP A 107 8.801 -8.103 -12.696 1.00 0.33 H new ATOM 0 HA TRP A 107 8.141 -5.372 -12.822 1.00 0.37 H new ATOM 0 HB2 TRP A 107 10.327 -6.621 -12.239 1.00 0.45 H new ATOM 0 HB3 TRP A 107 10.569 -6.794 -13.966 1.00 0.45 H new ATOM 0 HD1 TRP A 107 12.288 -5.138 -14.765 1.00 0.79 H new ATOM 0 HE1 TRP A 107 13.001 -2.724 -14.226 1.00 1.06 H new ATOM 0 HE3 TRP A 107 8.807 -4.041 -11.168 1.00 2.64 H new ATOM 0 HZ2 TRP A 107 12.243 -0.646 -12.383 1.00 2.69 H new ATOM 0 HZ3 TRP A 107 8.860 -1.859 -10.011 1.00 3.66 H new ATOM 0 HH2 TRP A 107 10.574 -0.159 -10.593 1.00 3.67 H new ATOM 1784 N GLU A 108 8.437 -6.847 -15.766 1.00 0.39 N ATOM 1785 CA GLU A 108 8.148 -6.706 -17.193 1.00 0.44 C ATOM 1786 C GLU A 108 6.656 -6.464 -17.429 1.00 0.43 C ATOM 1787 O GLU A 108 6.282 -5.516 -18.119 1.00 0.51 O ATOM 1788 CB GLU A 108 8.640 -7.960 -17.940 1.00 0.51 C ATOM 1789 CG GLU A 108 8.360 -7.901 -19.448 1.00 0.69 C ATOM 1790 CD GLU A 108 8.938 -9.124 -20.178 1.00 2.02 C ATOM 1791 OE1 GLU A 108 8.428 -10.253 -19.979 1.00 3.38 O ATOM 1792 OE2 GLU A 108 9.893 -8.963 -20.975 1.00 2.51 O ATOM 0 H GLU A 108 8.799 -7.767 -15.514 1.00 0.39 H new ATOM 0 HA GLU A 108 8.678 -5.836 -17.582 1.00 0.44 H new ATOM 0 HB2 GLU A 108 9.712 -8.077 -17.778 1.00 0.51 H new ATOM 0 HB3 GLU A 108 8.156 -8.841 -17.519 1.00 0.51 H new ATOM 0 HG2 GLU A 108 7.284 -7.850 -19.617 1.00 0.69 H new ATOM 0 HG3 GLU A 108 8.792 -6.991 -19.864 1.00 0.69 H new ATOM 1799 N ALA A 109 5.799 -7.295 -16.834 1.00 0.40 N ATOM 1800 CA ALA A 109 4.350 -7.188 -16.968 1.00 0.43 C ATOM 1801 C ALA A 109 3.797 -5.876 -16.395 1.00 0.39 C ATOM 1802 O ALA A 109 2.971 -5.223 -17.035 1.00 0.43 O ATOM 1803 CB ALA A 109 3.750 -8.427 -16.329 1.00 0.45 C ATOM 0 H ALA A 109 6.097 -8.069 -16.240 1.00 0.40 H new ATOM 0 HA ALA A 109 4.068 -7.147 -18.020 1.00 0.43 H new ATOM 0 HB1 ALA A 109 2.664 -8.387 -16.408 1.00 0.45 H new ATOM 0 HB2 ALA A 109 4.119 -9.316 -16.842 1.00 0.45 H new ATOM 0 HB3 ALA A 109 4.036 -8.469 -15.278 1.00 0.45 H new ATOM 1809 N ALA A 110 4.277 -5.452 -15.227 1.00 0.35 N ATOM 1810 CA ALA A 110 3.905 -4.177 -14.619 1.00 0.37 C ATOM 1811 C ALA A 110 4.334 -2.991 -15.501 1.00 0.41 C ATOM 1812 O ALA A 110 3.519 -2.129 -15.836 1.00 0.48 O ATOM 1813 CB ALA A 110 4.539 -4.145 -13.220 1.00 0.35 C ATOM 0 H ALA A 110 4.942 -5.990 -14.671 1.00 0.35 H new ATOM 0 HA ALA A 110 2.823 -4.084 -14.529 1.00 0.37 H new ATOM 0 HB1 ALA A 110 4.286 -3.206 -12.727 1.00 0.35 H new ATOM 0 HB2 ALA A 110 4.159 -4.979 -12.629 1.00 0.35 H new ATOM 0 HB3 ALA A 110 5.622 -4.227 -13.309 1.00 0.35 H new ATOM 1819 N ARG A 111 5.590 -3.005 -15.954 1.00 0.44 N ATOM 1820 CA ARG A 111 6.193 -1.990 -16.826 1.00 0.57 C ATOM 1821 C ARG A 111 5.467 -1.904 -18.176 1.00 0.67 C ATOM 1822 O ARG A 111 5.263 -0.797 -18.676 1.00 0.79 O ATOM 1823 CB ARG A 111 7.687 -2.337 -16.955 1.00 0.73 C ATOM 1824 CG ARG A 111 8.600 -1.326 -17.658 1.00 1.16 C ATOM 1825 CD ARG A 111 10.040 -1.847 -17.516 1.00 2.08 C ATOM 1826 NE ARG A 111 11.052 -0.903 -18.024 1.00 3.26 N ATOM 1827 CZ ARG A 111 11.695 -0.965 -19.185 1.00 3.58 C ATOM 1828 NH1 ARG A 111 11.367 -1.824 -20.129 1.00 3.08 N ATOM 1829 NH2 ARG A 111 12.704 -0.151 -19.411 1.00 5.00 N ATOM 0 H ARG A 111 6.242 -3.752 -15.715 1.00 0.44 H new ATOM 0 HA ARG A 111 6.092 -0.992 -16.398 1.00 0.57 H new ATOM 0 HB2 ARG A 111 8.080 -2.501 -15.952 1.00 0.73 H new ATOM 0 HB3 ARG A 111 7.765 -3.285 -17.487 1.00 0.73 H new ATOM 0 HG2 ARG A 111 8.328 -1.226 -18.709 1.00 1.16 H new ATOM 0 HG3 ARG A 111 8.501 -0.338 -17.208 1.00 1.16 H new ATOM 0 HD2 ARG A 111 10.242 -2.056 -16.465 1.00 2.08 H new ATOM 0 HD3 ARG A 111 10.132 -2.792 -18.052 1.00 2.08 H new ATOM 0 HE ARG A 111 11.284 -0.116 -17.418 1.00 3.26 H new ATOM 0 HH11 ARG A 111 10.594 -2.473 -19.982 1.00 3.08 H new ATOM 0 HH12 ARG A 111 11.886 -1.840 -21.007 1.00 3.08 H new ATOM 0 HH21 ARG A 111 12.987 0.521 -18.698 1.00 5.00 H new ATOM 0 HH22 ARG A 111 13.203 -0.192 -20.300 1.00 5.00 H new ATOM 1843 N ALA A 112 4.995 -3.033 -18.717 1.00 0.64 N ATOM 1844 CA ALA A 112 4.156 -3.115 -19.917 1.00 0.71 C ATOM 1845 C ALA A 112 2.745 -2.531 -19.712 1.00 0.73 C ATOM 1846 O ALA A 112 2.256 -1.789 -20.562 1.00 0.83 O ATOM 1847 CB ALA A 112 4.078 -4.591 -20.331 1.00 0.71 C ATOM 0 H ALA A 112 5.195 -3.949 -18.315 1.00 0.64 H new ATOM 0 HA ALA A 112 4.610 -2.509 -20.701 1.00 0.71 H new ATOM 0 HB1 ALA A 112 3.459 -4.686 -21.223 1.00 0.71 H new ATOM 0 HB2 ALA A 112 5.080 -4.963 -20.543 1.00 0.71 H new ATOM 0 HB3 ALA A 112 3.639 -5.173 -19.521 1.00 0.71 H new ATOM 1853 N HIS A 113 2.102 -2.824 -18.575 1.00 0.65 N ATOM 1854 CA HIS A 113 0.784 -2.276 -18.216 1.00 0.73 C ATOM 1855 C HIS A 113 0.811 -0.768 -17.863 1.00 0.81 C ATOM 1856 O HIS A 113 -0.250 -0.138 -17.786 1.00 0.94 O ATOM 1857 CB HIS A 113 0.167 -3.135 -17.097 1.00 0.70 C ATOM 1858 CG HIS A 113 -0.389 -4.443 -17.607 1.00 0.66 C ATOM 1859 ND1 HIS A 113 0.269 -5.650 -17.640 1.00 0.62 N ATOM 1860 CD2 HIS A 113 -1.636 -4.659 -18.135 1.00 0.70 C ATOM 1861 CE1 HIS A 113 -0.554 -6.567 -18.175 1.00 0.63 C ATOM 1862 NE2 HIS A 113 -1.733 -6.009 -18.499 1.00 0.69 N ATOM 0 H HIS A 113 2.484 -3.454 -17.870 1.00 0.65 H new ATOM 0 HA HIS A 113 0.148 -2.330 -19.099 1.00 0.73 H new ATOM 0 HB2 HIS A 113 0.925 -3.337 -16.340 1.00 0.70 H new ATOM 0 HB3 HIS A 113 -0.629 -2.572 -16.609 1.00 0.70 H new ATOM 0 HD1 HIS A 113 1.220 -5.820 -17.314 1.00 0.62 H new ATOM 0 HD2 HIS A 113 -2.411 -3.916 -18.251 1.00 0.70 H new ATOM 0 HE1 HIS A 113 -0.303 -7.607 -18.324 1.00 0.63 H new ATOM 1870 N GLY A 114 2.003 -0.176 -17.693 1.00 0.78 N ATOM 1871 CA GLY A 114 2.224 1.270 -17.510 1.00 0.90 C ATOM 1872 C GLY A 114 2.903 1.650 -16.192 1.00 1.02 C ATOM 1873 O GLY A 114 3.297 2.803 -16.022 1.00 1.24 O ATOM 0 H GLY A 114 2.872 -0.709 -17.678 1.00 0.78 H new ATOM 0 HA2 GLY A 114 2.832 1.638 -18.336 1.00 0.90 H new ATOM 0 HA3 GLY A 114 1.263 1.781 -17.569 1.00 0.90 H new ATOM 1877 N LEU A 115 3.068 0.691 -15.276 1.00 0.89 N ATOM 1878 CA LEU A 115 3.560 0.877 -13.914 1.00 0.90 C ATOM 1879 C LEU A 115 5.100 0.946 -13.918 1.00 0.87 C ATOM 1880 O LEU A 115 5.781 -0.004 -13.524 1.00 1.06 O ATOM 1881 CB LEU A 115 3.028 -0.267 -13.020 1.00 0.85 C ATOM 1882 CG LEU A 115 1.499 -0.391 -12.821 1.00 0.98 C ATOM 1883 CD1 LEU A 115 0.707 -0.868 -14.052 1.00 1.21 C ATOM 1884 CD2 LEU A 115 1.254 -1.410 -11.699 1.00 1.18 C ATOM 0 H LEU A 115 2.850 -0.285 -15.478 1.00 0.89 H new ATOM 0 HA LEU A 115 3.196 1.819 -13.505 1.00 0.90 H new ATOM 0 HB2 LEU A 115 3.387 -1.208 -13.436 1.00 0.85 H new ATOM 0 HB3 LEU A 115 3.484 -0.159 -12.036 1.00 0.85 H new ATOM 0 HG LEU A 115 1.145 0.616 -12.599 1.00 0.98 H new ATOM 0 HD11 LEU A 115 -0.353 -0.920 -13.805 1.00 1.21 H new ATOM 0 HD12 LEU A 115 0.854 -0.167 -14.873 1.00 1.21 H new ATOM 0 HD13 LEU A 115 1.059 -1.855 -14.351 1.00 1.21 H new ATOM 0 HD21 LEU A 115 0.182 -1.520 -11.535 1.00 1.18 H new ATOM 0 HD22 LEU A 115 1.678 -2.373 -11.983 1.00 1.18 H new ATOM 0 HD23 LEU A 115 1.728 -1.062 -10.781 1.00 1.18 H new ATOM 1896 N ARG A 116 5.660 2.058 -14.414 1.00 0.94 N ATOM 1897 CA ARG A 116 7.105 2.208 -14.649 1.00 0.90 C ATOM 1898 C ARG A 116 7.929 2.131 -13.348 1.00 0.73 C ATOM 1899 O ARG A 116 8.984 1.494 -13.338 1.00 0.78 O ATOM 1900 CB ARG A 116 7.404 3.534 -15.362 1.00 1.14 C ATOM 1901 CG ARG A 116 6.674 3.794 -16.688 1.00 1.30 C ATOM 1902 CD ARG A 116 6.777 2.717 -17.773 1.00 1.29 C ATOM 1903 NE ARG A 116 6.406 3.314 -19.072 1.00 1.78 N ATOM 1904 CZ ARG A 116 5.546 2.877 -19.984 1.00 2.05 C ATOM 1905 NH1 ARG A 116 4.982 1.690 -19.939 1.00 2.77 N ATOM 1906 NH2 ARG A 116 5.232 3.660 -20.993 1.00 2.61 N ATOM 0 H ARG A 116 5.120 2.886 -14.666 1.00 0.94 H new ATOM 0 HA ARG A 116 7.402 1.372 -15.282 1.00 0.90 H new ATOM 0 HB2 ARG A 116 7.164 4.348 -14.678 1.00 1.14 H new ATOM 0 HB3 ARG A 116 8.476 3.583 -15.551 1.00 1.14 H new ATOM 0 HG2 ARG A 116 5.618 3.949 -16.466 1.00 1.30 H new ATOM 0 HG3 ARG A 116 7.053 4.728 -17.103 1.00 1.30 H new ATOM 0 HD2 ARG A 116 7.791 2.320 -17.816 1.00 1.29 H new ATOM 0 HD3 ARG A 116 6.117 1.881 -17.539 1.00 1.29 H new ATOM 0 HE ARG A 116 6.879 4.188 -19.301 1.00 1.78 H new ATOM 0 HH11 ARG A 116 5.199 1.051 -19.174 1.00 2.77 H new ATOM 0 HH12 ARG A 116 4.328 1.408 -20.669 1.00 2.77 H new ATOM 0 HH21 ARG A 116 5.648 4.589 -21.067 1.00 2.61 H new ATOM 0 HH22 ARG A 116 4.573 3.339 -21.702 1.00 2.61 H new ATOM 1920 N ARG A 117 7.450 2.762 -12.266 1.00 0.71 N ATOM 1921 CA ARG A 117 7.990 2.703 -10.892 1.00 0.54 C ATOM 1922 C ARG A 117 6.827 2.740 -9.881 1.00 0.54 C ATOM 1923 O ARG A 117 5.660 2.894 -10.252 1.00 0.71 O ATOM 1924 CB ARG A 117 8.980 3.865 -10.615 1.00 0.63 C ATOM 1925 CG ARG A 117 10.177 4.001 -11.576 1.00 0.71 C ATOM 1926 CD ARG A 117 11.206 2.865 -11.533 1.00 0.69 C ATOM 1927 NE ARG A 117 12.138 2.964 -10.394 1.00 1.05 N ATOM 1928 CZ ARG A 117 13.315 3.581 -10.398 1.00 1.70 C ATOM 1929 NH1 ARG A 117 13.703 4.373 -11.378 1.00 2.72 N ATOM 1930 NH2 ARG A 117 14.146 3.393 -9.397 1.00 2.06 N ATOM 0 H ARG A 117 6.628 3.363 -12.326 1.00 0.71 H new ATOM 0 HA ARG A 117 8.543 1.770 -10.782 1.00 0.54 H new ATOM 0 HB2 ARG A 117 8.420 4.800 -10.635 1.00 0.63 H new ATOM 0 HB3 ARG A 117 9.368 3.747 -9.603 1.00 0.63 H new ATOM 0 HG2 ARG A 117 9.794 4.079 -12.593 1.00 0.71 H new ATOM 0 HG3 ARG A 117 10.690 4.937 -11.356 1.00 0.71 H new ATOM 0 HD2 ARG A 117 10.681 1.911 -11.482 1.00 0.69 H new ATOM 0 HD3 ARG A 117 11.777 2.866 -12.462 1.00 0.69 H new ATOM 0 HE ARG A 117 11.853 2.517 -9.522 1.00 1.05 H new ATOM 0 HH11 ARG A 117 13.090 4.533 -12.177 1.00 2.72 H new ATOM 0 HH12 ARG A 117 14.616 4.825 -11.337 1.00 2.72 H new ATOM 0 HH21 ARG A 117 13.885 2.778 -8.626 1.00 2.06 H new ATOM 0 HH22 ARG A 117 15.052 3.862 -9.391 1.00 2.06 H new ATOM 1944 N GLY A 118 7.138 2.591 -8.593 1.00 0.45 N ATOM 1945 CA GLY A 118 6.173 2.697 -7.494 1.00 0.48 C ATOM 1946 C GLY A 118 6.809 2.834 -6.113 1.00 0.43 C ATOM 1947 O GLY A 118 8.024 2.989 -5.984 1.00 0.47 O ATOM 0 H GLY A 118 8.086 2.389 -8.276 1.00 0.45 H new ATOM 0 HA2 GLY A 118 5.530 3.559 -7.672 1.00 0.48 H new ATOM 0 HA3 GLY A 118 5.533 1.815 -7.501 1.00 0.48 H new ATOM 1951 N VAL A 119 5.956 2.806 -5.091 1.00 0.40 N ATOM 1952 CA VAL A 119 6.270 3.091 -3.679 1.00 0.40 C ATOM 1953 C VAL A 119 5.389 2.211 -2.774 1.00 0.39 C ATOM 1954 O VAL A 119 4.240 1.942 -3.131 1.00 0.47 O ATOM 1955 CB VAL A 119 6.085 4.600 -3.358 1.00 0.48 C ATOM 1956 CG1 VAL A 119 7.017 5.483 -4.211 1.00 0.69 C ATOM 1957 CG2 VAL A 119 4.648 5.106 -3.575 1.00 0.58 C ATOM 0 H VAL A 119 4.972 2.572 -5.225 1.00 0.40 H new ATOM 0 HA VAL A 119 7.317 2.852 -3.490 1.00 0.40 H new ATOM 0 HB VAL A 119 6.332 4.682 -2.299 1.00 0.48 H new ATOM 0 HG11 VAL A 119 6.858 6.531 -3.957 1.00 0.69 H new ATOM 0 HG12 VAL A 119 8.055 5.215 -4.012 1.00 0.69 H new ATOM 0 HG13 VAL A 119 6.798 5.328 -5.268 1.00 0.69 H new ATOM 0 HG21 VAL A 119 4.595 6.167 -3.331 1.00 0.58 H new ATOM 0 HG22 VAL A 119 4.364 4.959 -4.617 1.00 0.58 H new ATOM 0 HG23 VAL A 119 3.966 4.551 -2.931 1.00 0.58 H new ATOM 1967 N THR A 120 5.912 1.748 -1.630 1.00 0.34 N ATOM 1968 CA THR A 120 5.299 0.687 -0.800 1.00 0.31 C ATOM 1969 C THR A 120 5.565 0.928 0.687 1.00 0.36 C ATOM 1970 O THR A 120 6.657 1.349 1.062 1.00 0.44 O ATOM 1971 CB THR A 120 5.877 -0.667 -1.240 1.00 0.29 C ATOM 1972 OG1 THR A 120 5.419 -0.962 -2.541 1.00 0.33 O ATOM 1973 CG2 THR A 120 5.512 -1.865 -0.354 1.00 0.38 C ATOM 0 H THR A 120 6.787 2.102 -1.244 1.00 0.34 H new ATOM 0 HA THR A 120 4.218 0.695 -0.940 1.00 0.31 H new ATOM 0 HB THR A 120 6.958 -0.542 -1.173 1.00 0.29 H new ATOM 0 HG1 THR A 120 5.823 -1.800 -2.848 1.00 0.33 H new ATOM 0 HG21 THR A 120 5.972 -2.768 -0.756 1.00 0.38 H new ATOM 0 HG22 THR A 120 5.875 -1.692 0.659 1.00 0.38 H new ATOM 0 HG23 THR A 120 4.429 -1.987 -0.335 1.00 0.38 H new ATOM 1981 N GLN A 121 4.599 0.594 1.549 1.00 0.37 N ATOM 1982 CA GLN A 121 4.768 0.588 3.005 1.00 0.39 C ATOM 1983 C GLN A 121 4.209 -0.675 3.683 1.00 0.48 C ATOM 1984 O GLN A 121 3.280 -1.325 3.201 1.00 0.51 O ATOM 1985 CB GLN A 121 4.138 1.849 3.642 1.00 0.45 C ATOM 1986 CG GLN A 121 5.157 2.888 4.131 1.00 1.22 C ATOM 1987 CD GLN A 121 6.247 2.319 5.032 1.00 2.14 C ATOM 1988 OE1 GLN A 121 5.941 1.762 6.178 1.00 3.08 O flip ATOM 1989 NE2 GLN A 121 7.409 2.311 4.671 1.00 3.13 N flip ATOM 0 H GLN A 121 3.664 0.316 1.250 1.00 0.37 H new ATOM 0 HA GLN A 121 5.844 0.590 3.176 1.00 0.39 H new ATOM 0 HB2 GLN A 121 3.479 2.319 2.912 1.00 0.45 H new ATOM 0 HB3 GLN A 121 3.516 1.544 4.483 1.00 0.45 H new ATOM 0 HG2 GLN A 121 5.625 3.357 3.265 1.00 1.22 H new ATOM 0 HG3 GLN A 121 4.628 3.673 4.671 1.00 1.22 H new ATOM 0 HE21 GLN A 121 7.670 2.739 3.783 1.00 3.13 H new ATOM 0 HE22 GLN A 121 8.122 1.877 5.257 1.00 3.13 H new ATOM 1998 N TYR A 122 4.782 -0.963 4.856 1.00 0.63 N ATOM 1999 CA TYR A 122 4.491 -2.077 5.768 1.00 0.71 C ATOM 2000 C TYR A 122 4.398 -1.549 7.213 1.00 0.72 C ATOM 2001 O TYR A 122 5.160 -0.660 7.598 1.00 0.81 O ATOM 2002 CB TYR A 122 5.643 -3.092 5.625 1.00 0.80 C ATOM 2003 CG TYR A 122 5.864 -4.088 6.754 1.00 0.81 C ATOM 2004 CD1 TYR A 122 6.488 -3.680 7.953 1.00 1.65 C ATOM 2005 CD2 TYR A 122 5.507 -5.439 6.588 1.00 1.89 C ATOM 2006 CE1 TYR A 122 6.690 -4.597 9.001 1.00 1.57 C ATOM 2007 CE2 TYR A 122 5.705 -6.363 7.631 1.00 2.07 C ATOM 2008 CZ TYR A 122 6.291 -5.943 8.846 1.00 1.03 C ATOM 2009 OH TYR A 122 6.489 -6.830 9.861 1.00 1.22 O ATOM 0 H TYR A 122 5.527 -0.372 5.225 1.00 0.63 H new ATOM 0 HA TYR A 122 3.540 -2.553 5.527 1.00 0.71 H new ATOM 0 HB2 TYR A 122 5.477 -3.658 4.708 1.00 0.80 H new ATOM 0 HB3 TYR A 122 6.567 -2.531 5.490 1.00 0.80 H new ATOM 0 HD1 TYR A 122 6.813 -2.656 8.067 1.00 1.65 H new ATOM 0 HD2 TYR A 122 5.078 -5.769 5.653 1.00 1.89 H new ATOM 0 HE1 TYR A 122 7.150 -4.272 9.923 1.00 1.57 H new ATOM 0 HE2 TYR A 122 5.409 -7.394 7.503 1.00 2.07 H new ATOM 0 HH TYR A 122 6.158 -7.713 9.593 1.00 1.22 H new ATOM 2019 N LEU A 123 3.506 -2.109 8.039 1.00 0.69 N ATOM 2020 CA LEU A 123 3.459 -1.840 9.484 1.00 0.74 C ATOM 2021 C LEU A 123 2.799 -3.024 10.206 1.00 0.71 C ATOM 2022 O LEU A 123 1.839 -3.596 9.694 1.00 0.71 O ATOM 2023 CB LEU A 123 2.773 -0.468 9.722 1.00 0.84 C ATOM 2024 CG LEU A 123 3.221 0.291 10.992 1.00 1.01 C ATOM 2025 CD1 LEU A 123 3.068 1.806 10.784 1.00 1.68 C ATOM 2026 CD2 LEU A 123 2.407 -0.098 12.231 1.00 2.40 C ATOM 0 H LEU A 123 2.792 -2.765 7.723 1.00 0.69 H new ATOM 0 HA LEU A 123 4.458 -1.757 9.911 1.00 0.74 H new ATOM 0 HB2 LEU A 123 2.960 0.167 8.856 1.00 0.84 H new ATOM 0 HB3 LEU A 123 1.696 -0.625 9.775 1.00 0.84 H new ATOM 0 HG LEU A 123 4.263 0.018 11.160 1.00 1.01 H new ATOM 0 HD11 LEU A 123 3.386 2.331 11.685 1.00 1.68 H new ATOM 0 HD12 LEU A 123 3.685 2.122 9.943 1.00 1.68 H new ATOM 0 HD13 LEU A 123 2.024 2.041 10.577 1.00 1.68 H new ATOM 0 HD21 LEU A 123 2.765 0.465 13.093 1.00 2.40 H new ATOM 0 HD22 LEU A 123 1.354 0.128 12.061 1.00 2.40 H new ATOM 0 HD23 LEU A 123 2.522 -1.165 12.422 1.00 2.40 H new ATOM 2038 N MET A 124 3.300 -3.400 11.388 1.00 0.87 N ATOM 2039 CA MET A 124 2.797 -4.530 12.185 1.00 0.92 C ATOM 2040 C MET A 124 2.156 -4.016 13.481 1.00 0.99 C ATOM 2041 O MET A 124 2.768 -3.241 14.219 1.00 1.11 O ATOM 2042 CB MET A 124 3.963 -5.491 12.486 1.00 1.07 C ATOM 2043 CG MET A 124 3.527 -6.769 13.218 1.00 1.21 C ATOM 2044 SD MET A 124 2.588 -7.946 12.210 1.00 2.36 S ATOM 2045 CE MET A 124 1.226 -8.343 13.331 1.00 1.39 C ATOM 0 H MET A 124 4.084 -2.918 11.829 1.00 0.87 H new ATOM 0 HA MET A 124 2.032 -5.068 11.625 1.00 0.92 H new ATOM 0 HB2 MET A 124 4.449 -5.765 11.550 1.00 1.07 H new ATOM 0 HB3 MET A 124 4.706 -4.971 13.090 1.00 1.07 H new ATOM 0 HG2 MET A 124 4.415 -7.270 13.602 1.00 1.21 H new ATOM 0 HG3 MET A 124 2.922 -6.488 14.080 1.00 1.21 H new ATOM 0 HE1 MET A 124 0.628 -9.149 12.906 1.00 1.39 H new ATOM 0 HE2 MET A 124 1.628 -8.658 14.294 1.00 1.39 H new ATOM 0 HE3 MET A 124 0.600 -7.461 13.470 1.00 1.39 H new ATOM 2055 N LEU A 125 0.932 -4.468 13.767 1.00 1.05 N ATOM 2056 CA LEU A 125 0.135 -4.055 14.929 1.00 1.13 C ATOM 2057 C LEU A 125 0.129 -5.175 15.990 1.00 1.10 C ATOM 2058 O LEU A 125 -0.185 -6.319 15.637 1.00 1.18 O ATOM 2059 CB LEU A 125 -1.306 -3.739 14.459 1.00 1.40 C ATOM 2060 CG LEU A 125 -1.619 -2.241 14.263 1.00 0.94 C ATOM 2061 CD1 LEU A 125 -0.637 -1.541 13.314 1.00 2.25 C ATOM 2062 CD2 LEU A 125 -3.054 -2.095 13.735 1.00 2.00 C ATOM 0 H LEU A 125 0.453 -5.151 13.180 1.00 1.05 H new ATOM 0 HA LEU A 125 0.570 -3.164 15.381 1.00 1.13 H new ATOM 0 HB2 LEU A 125 -1.486 -4.258 13.517 1.00 1.40 H new ATOM 0 HB3 LEU A 125 -2.007 -4.148 15.187 1.00 1.40 H new ATOM 0 HG LEU A 125 -1.513 -1.754 15.232 1.00 0.94 H new ATOM 0 HD11 LEU A 125 -0.911 -0.490 13.218 1.00 2.25 H new ATOM 0 HD12 LEU A 125 0.374 -1.617 13.715 1.00 2.25 H new ATOM 0 HD13 LEU A 125 -0.676 -2.017 12.334 1.00 2.25 H new ATOM 0 HD21 LEU A 125 -3.284 -1.039 13.593 1.00 2.00 H new ATOM 0 HD22 LEU A 125 -3.146 -2.617 12.783 1.00 2.00 H new ATOM 0 HD23 LEU A 125 -3.752 -2.525 14.454 1.00 2.00 H new ATOM 2074 N PRO A 126 0.423 -4.885 17.276 1.00 1.13 N ATOM 2075 CA PRO A 126 0.349 -5.879 18.348 1.00 1.21 C ATOM 2076 C PRO A 126 -1.086 -6.357 18.637 1.00 1.24 C ATOM 2077 O PRO A 126 -1.246 -7.402 19.266 1.00 1.39 O ATOM 2078 CB PRO A 126 0.993 -5.215 19.572 1.00 1.34 C ATOM 2079 CG PRO A 126 0.793 -3.722 19.324 1.00 1.32 C ATOM 2080 CD PRO A 126 0.906 -3.615 17.805 1.00 1.24 C ATOM 0 HA PRO A 126 0.874 -6.790 18.060 1.00 1.21 H new ATOM 0 HB2 PRO A 126 0.515 -5.534 20.498 1.00 1.34 H new ATOM 0 HB3 PRO A 126 2.050 -5.469 19.655 1.00 1.34 H new ATOM 0 HG2 PRO A 126 -0.177 -3.378 19.683 1.00 1.32 H new ATOM 0 HG3 PRO A 126 1.550 -3.123 19.829 1.00 1.32 H new ATOM 0 HD2 PRO A 126 0.311 -2.783 17.427 1.00 1.24 H new ATOM 0 HD3 PRO A 126 1.937 -3.433 17.502 1.00 1.24 H new ATOM 2088 N GLU A 127 -2.116 -5.637 18.165 1.00 1.26 N ATOM 2089 CA GLU A 127 -3.533 -6.010 18.242 1.00 1.49 C ATOM 2090 C GLU A 127 -3.792 -7.423 17.680 1.00 1.63 C ATOM 2091 O GLU A 127 -4.149 -8.310 18.460 1.00 2.52 O ATOM 2092 CB GLU A 127 -4.406 -4.968 17.513 1.00 2.08 C ATOM 2093 CG GLU A 127 -4.505 -3.596 18.202 1.00 2.37 C ATOM 2094 CD GLU A 127 -3.452 -2.577 17.734 1.00 3.25 C ATOM 2095 OE1 GLU A 127 -2.259 -2.937 17.625 1.00 4.48 O ATOM 2096 OE2 GLU A 127 -3.818 -1.400 17.502 1.00 3.71 O ATOM 0 H GLU A 127 -1.975 -4.740 17.699 1.00 1.26 H new ATOM 0 HA GLU A 127 -3.808 -6.026 19.297 1.00 1.49 H new ATOM 0 HB2 GLU A 127 -4.008 -4.824 16.508 1.00 2.08 H new ATOM 0 HB3 GLU A 127 -5.411 -5.374 17.402 1.00 2.08 H new ATOM 0 HG2 GLU A 127 -5.498 -3.183 18.023 1.00 2.37 H new ATOM 0 HG3 GLU A 127 -4.406 -3.735 19.279 1.00 2.37 H new ATOM 2103 N ARG A 128 -3.571 -7.631 16.365 1.00 1.52 N ATOM 2104 CA ARG A 128 -3.503 -8.934 15.658 1.00 1.79 C ATOM 2105 C ARG A 128 -3.358 -8.836 14.129 1.00 1.42 C ATOM 2106 O ARG A 128 -2.730 -9.711 13.527 1.00 2.41 O ATOM 2107 CB ARG A 128 -4.683 -9.893 15.981 1.00 2.77 C ATOM 2108 CG ARG A 128 -4.178 -11.287 16.392 1.00 3.73 C ATOM 2109 CD ARG A 128 -3.466 -11.316 17.754 1.00 4.43 C ATOM 2110 NE ARG A 128 -2.707 -12.566 17.939 1.00 5.72 N ATOM 2111 CZ ARG A 128 -3.170 -13.737 18.361 1.00 6.44 C ATOM 2112 NH1 ARG A 128 -4.433 -13.917 18.690 1.00 6.32 N ATOM 2113 NH2 ARG A 128 -2.349 -14.760 18.458 1.00 7.89 N ATOM 0 H ARG A 128 -3.426 -6.849 15.727 1.00 1.52 H new ATOM 0 HA ARG A 128 -2.581 -9.355 16.059 1.00 1.79 H new ATOM 0 HB2 ARG A 128 -5.287 -9.472 16.785 1.00 2.77 H new ATOM 0 HB3 ARG A 128 -5.331 -9.982 15.109 1.00 2.77 H new ATOM 0 HG2 ARG A 128 -5.023 -11.975 16.420 1.00 3.73 H new ATOM 0 HG3 ARG A 128 -3.493 -11.654 15.627 1.00 3.73 H new ATOM 0 HD2 ARG A 128 -2.791 -10.464 17.831 1.00 4.43 H new ATOM 0 HD3 ARG A 128 -4.201 -11.214 18.552 1.00 4.43 H new ATOM 0 HE ARG A 128 -1.712 -12.527 17.717 1.00 5.72 H new ATOM 0 HH11 ARG A 128 -5.093 -13.142 18.625 1.00 6.32 H new ATOM 0 HH12 ARG A 128 -4.751 -14.832 19.010 1.00 6.32 H new ATOM 0 HH21 ARG A 128 -1.366 -14.650 18.210 1.00 7.89 H new ATOM 0 HH22 ARG A 128 -2.696 -15.663 18.781 1.00 7.89 H new ATOM 2127 N ALA A 129 -3.944 -7.821 13.484 1.00 1.36 N ATOM 2128 CA ALA A 129 -3.912 -7.680 12.023 1.00 1.11 C ATOM 2129 C ALA A 129 -2.534 -7.265 11.479 1.00 0.90 C ATOM 2130 O ALA A 129 -1.706 -6.677 12.183 1.00 1.17 O ATOM 2131 CB ALA A 129 -4.991 -6.685 11.582 1.00 1.53 C ATOM 0 H ALA A 129 -4.453 -7.075 13.959 1.00 1.36 H new ATOM 0 HA ALA A 129 -4.115 -8.664 11.600 1.00 1.11 H new ATOM 0 HB1 ALA A 129 -4.968 -6.580 10.497 1.00 1.53 H new ATOM 0 HB2 ALA A 129 -5.971 -7.050 11.890 1.00 1.53 H new ATOM 0 HB3 ALA A 129 -4.803 -5.716 12.044 1.00 1.53 H new ATOM 2137 N LEU A 130 -2.338 -7.519 10.185 1.00 0.76 N ATOM 2138 CA LEU A 130 -1.201 -7.062 9.387 1.00 0.83 C ATOM 2139 C LEU A 130 -1.715 -6.600 8.019 1.00 0.72 C ATOM 2140 O LEU A 130 -2.600 -7.228 7.436 1.00 0.75 O ATOM 2141 CB LEU A 130 -0.177 -8.212 9.294 1.00 1.18 C ATOM 2142 CG LEU A 130 1.064 -7.952 8.412 1.00 1.17 C ATOM 2143 CD1 LEU A 130 1.812 -6.667 8.796 1.00 1.69 C ATOM 2144 CD2 LEU A 130 2.020 -9.148 8.524 1.00 1.92 C ATOM 0 H LEU A 130 -2.998 -8.074 9.640 1.00 0.76 H new ATOM 0 HA LEU A 130 -0.696 -6.211 9.845 1.00 0.83 H new ATOM 0 HB2 LEU A 130 0.163 -8.450 10.302 1.00 1.18 H new ATOM 0 HB3 LEU A 130 -0.689 -9.096 8.913 1.00 1.18 H new ATOM 0 HG LEU A 130 0.713 -7.825 7.388 1.00 1.17 H new ATOM 0 HD11 LEU A 130 2.674 -6.538 8.141 1.00 1.69 H new ATOM 0 HD12 LEU A 130 1.145 -5.812 8.690 1.00 1.69 H new ATOM 0 HD13 LEU A 130 2.149 -6.737 9.830 1.00 1.69 H new ATOM 0 HD21 LEU A 130 2.899 -8.971 7.904 1.00 1.92 H new ATOM 0 HD22 LEU A 130 2.328 -9.272 9.562 1.00 1.92 H new ATOM 0 HD23 LEU A 130 1.513 -10.052 8.186 1.00 1.92 H new ATOM 2156 N GLY A 131 -1.169 -5.498 7.508 1.00 0.71 N ATOM 2157 CA GLY A 131 -1.493 -4.960 6.190 1.00 0.66 C ATOM 2158 C GLY A 131 -0.309 -4.266 5.528 1.00 0.70 C ATOM 2159 O GLY A 131 0.608 -3.784 6.197 1.00 0.72 O ATOM 0 H GLY A 131 -0.475 -4.944 8.010 1.00 0.71 H new ATOM 0 HA2 GLY A 131 -1.840 -5.769 5.547 1.00 0.66 H new ATOM 0 HA3 GLY A 131 -2.317 -4.253 6.284 1.00 0.66 H new ATOM 2163 N PHE A 132 -0.362 -4.207 4.200 1.00 0.78 N ATOM 2164 CA PHE A 132 0.620 -3.543 3.339 1.00 0.74 C ATOM 2165 C PHE A 132 -0.132 -2.649 2.346 1.00 0.68 C ATOM 2166 O PHE A 132 -1.263 -2.972 1.967 1.00 0.72 O ATOM 2167 CB PHE A 132 1.480 -4.582 2.584 1.00 0.84 C ATOM 2168 CG PHE A 132 1.761 -5.886 3.318 1.00 1.17 C ATOM 2169 CD1 PHE A 132 2.482 -5.888 4.526 1.00 2.35 C ATOM 2170 CD2 PHE A 132 1.271 -7.102 2.804 1.00 2.19 C ATOM 2171 CE1 PHE A 132 2.693 -7.094 5.217 1.00 3.12 C ATOM 2172 CE2 PHE A 132 1.473 -8.305 3.502 1.00 2.90 C ATOM 2173 CZ PHE A 132 2.189 -8.302 4.710 1.00 3.03 C ATOM 0 H PHE A 132 -1.120 -4.637 3.670 1.00 0.78 H new ATOM 0 HA PHE A 132 1.292 -2.940 3.949 1.00 0.74 H new ATOM 0 HB2 PHE A 132 0.983 -4.819 1.643 1.00 0.84 H new ATOM 0 HB3 PHE A 132 2.434 -4.119 2.332 1.00 0.84 H new ATOM 0 HD1 PHE A 132 2.873 -4.963 4.923 1.00 2.35 H new ATOM 0 HD2 PHE A 132 0.736 -7.110 1.866 1.00 2.19 H new ATOM 0 HE1 PHE A 132 3.247 -7.091 6.144 1.00 3.12 H new ATOM 0 HE2 PHE A 132 1.078 -9.231 3.110 1.00 2.90 H new ATOM 0 HZ PHE A 132 2.351 -9.225 5.247 1.00 3.03 H new ATOM 2183 N LEU A 133 0.483 -1.557 1.883 1.00 0.61 N ATOM 2184 CA LEU A 133 -0.122 -0.702 0.855 1.00 0.48 C ATOM 2185 C LEU A 133 0.915 -0.078 -0.076 1.00 0.36 C ATOM 2186 O LEU A 133 2.092 0.053 0.264 1.00 0.39 O ATOM 2187 CB LEU A 133 -1.127 0.294 1.480 1.00 0.64 C ATOM 2188 CG LEU A 133 -0.616 1.684 1.916 1.00 0.60 C ATOM 2189 CD1 LEU A 133 -1.751 2.410 2.650 1.00 2.37 C ATOM 2190 CD2 LEU A 133 0.606 1.656 2.840 1.00 2.06 C ATOM 0 H LEU A 133 1.399 -1.243 2.203 1.00 0.61 H new ATOM 0 HA LEU A 133 -0.714 -1.332 0.192 1.00 0.48 H new ATOM 0 HB2 LEU A 133 -1.931 0.448 0.761 1.00 0.64 H new ATOM 0 HB3 LEU A 133 -1.568 -0.185 2.354 1.00 0.64 H new ATOM 0 HG LEU A 133 -0.304 2.193 1.004 1.00 0.60 H new ATOM 0 HD11 LEU A 133 -1.408 3.395 2.966 1.00 2.37 H new ATOM 0 HD12 LEU A 133 -2.605 2.520 1.981 1.00 2.37 H new ATOM 0 HD13 LEU A 133 -2.047 1.831 3.525 1.00 2.37 H new ATOM 0 HD21 LEU A 133 0.894 2.676 3.094 1.00 2.06 H new ATOM 0 HD22 LEU A 133 0.361 1.111 3.751 1.00 2.06 H new ATOM 0 HD23 LEU A 133 1.434 1.161 2.333 1.00 2.06 H new ATOM 2202 N SER A 134 0.485 0.272 -1.278 1.00 0.40 N ATOM 2203 CA SER A 134 1.398 0.598 -2.372 1.00 0.36 C ATOM 2204 C SER A 134 0.726 1.424 -3.476 1.00 0.36 C ATOM 2205 O SER A 134 -0.459 1.250 -3.781 1.00 0.43 O ATOM 2206 CB SER A 134 2.029 -0.688 -2.939 1.00 0.46 C ATOM 2207 OG SER A 134 1.053 -1.696 -3.155 1.00 2.07 O ATOM 0 H SER A 134 -0.502 0.339 -1.526 1.00 0.40 H new ATOM 0 HA SER A 134 2.188 1.226 -1.961 1.00 0.36 H new ATOM 0 HB2 SER A 134 2.535 -0.463 -3.878 1.00 0.46 H new ATOM 0 HB3 SER A 134 2.788 -1.057 -2.249 1.00 0.46 H new ATOM 0 HG SER A 134 1.422 -2.388 -3.743 1.00 2.07 H new ATOM 2213 N PHE A 135 1.499 2.331 -4.083 1.00 0.46 N ATOM 2214 CA PHE A 135 1.112 3.101 -5.265 1.00 0.47 C ATOM 2215 C PHE A 135 2.115 2.806 -6.385 1.00 0.43 C ATOM 2216 O PHE A 135 3.323 2.726 -6.144 1.00 0.40 O ATOM 2217 CB PHE A 135 1.068 4.625 -4.994 1.00 0.50 C ATOM 2218 CG PHE A 135 0.749 5.115 -3.586 1.00 0.66 C ATOM 2219 CD1 PHE A 135 -0.264 4.513 -2.817 1.00 1.85 C ATOM 2220 CD2 PHE A 135 1.472 6.195 -3.043 1.00 2.29 C ATOM 2221 CE1 PHE A 135 -0.500 4.938 -1.498 1.00 1.92 C ATOM 2222 CE2 PHE A 135 1.223 6.634 -1.731 1.00 2.63 C ATOM 2223 CZ PHE A 135 0.247 5.994 -0.950 1.00 1.54 C ATOM 0 H PHE A 135 2.438 2.554 -3.754 1.00 0.46 H new ATOM 0 HA PHE A 135 0.104 2.801 -5.550 1.00 0.47 H new ATOM 0 HB2 PHE A 135 2.037 5.038 -5.275 1.00 0.50 H new ATOM 0 HB3 PHE A 135 0.330 5.058 -5.669 1.00 0.50 H new ATOM 0 HD1 PHE A 135 -0.863 3.721 -3.242 1.00 1.85 H new ATOM 0 HD2 PHE A 135 2.224 6.690 -3.640 1.00 2.29 H new ATOM 0 HE1 PHE A 135 -1.259 4.451 -0.904 1.00 1.92 H new ATOM 0 HE2 PHE A 135 1.782 7.463 -1.324 1.00 2.63 H new ATOM 0 HZ PHE A 135 0.072 6.312 0.067 1.00 1.54 H new ATOM 2233 N SER A 136 1.632 2.705 -7.615 1.00 0.49 N ATOM 2234 CA SER A 136 2.464 2.772 -8.824 1.00 0.53 C ATOM 2235 C SER A 136 2.358 4.158 -9.481 1.00 0.53 C ATOM 2236 O SER A 136 1.488 4.951 -9.111 1.00 0.70 O ATOM 2237 CB SER A 136 2.041 1.672 -9.804 1.00 0.78 C ATOM 2238 OG SER A 136 0.701 1.829 -10.245 1.00 1.65 O ATOM 0 H SER A 136 0.640 2.572 -7.812 1.00 0.49 H new ATOM 0 HA SER A 136 3.506 2.614 -8.545 1.00 0.53 H new ATOM 0 HB2 SER A 136 2.708 1.680 -10.666 1.00 0.78 H new ATOM 0 HB3 SER A 136 2.152 0.699 -9.325 1.00 0.78 H new ATOM 0 HG SER A 136 0.370 0.976 -10.596 1.00 1.65 H new ATOM 2244 N ARG A 137 3.204 4.439 -10.480 1.00 0.50 N ATOM 2245 CA ARG A 137 3.101 5.610 -11.362 1.00 0.53 C ATOM 2246 C ARG A 137 3.900 5.416 -12.658 1.00 0.59 C ATOM 2247 O ARG A 137 4.942 4.757 -12.694 1.00 0.67 O ATOM 2248 CB ARG A 137 3.401 6.917 -10.596 1.00 0.72 C ATOM 2249 CG ARG A 137 3.383 8.189 -11.465 1.00 2.58 C ATOM 2250 CD ARG A 137 3.237 9.507 -10.695 1.00 3.35 C ATOM 2251 NE ARG A 137 2.483 10.471 -11.518 1.00 4.82 N ATOM 2252 CZ ARG A 137 1.932 11.607 -11.114 1.00 5.88 C ATOM 2253 NH1 ARG A 137 2.209 12.154 -9.951 1.00 5.86 N ATOM 2254 NH2 ARG A 137 1.053 12.205 -11.879 1.00 7.36 N ATOM 0 H ARG A 137 4.001 3.843 -10.704 1.00 0.50 H new ATOM 0 HA ARG A 137 2.068 5.711 -11.693 1.00 0.53 H new ATOM 0 HB2 ARG A 137 2.670 7.029 -9.796 1.00 0.72 H new ATOM 0 HB3 ARG A 137 4.379 6.829 -10.124 1.00 0.72 H new ATOM 0 HG2 ARG A 137 4.305 8.226 -12.045 1.00 2.58 H new ATOM 0 HG3 ARG A 137 2.562 8.111 -12.178 1.00 2.58 H new ATOM 0 HD2 ARG A 137 2.720 9.335 -9.751 1.00 3.35 H new ATOM 0 HD3 ARG A 137 4.220 9.910 -10.451 1.00 3.35 H new ATOM 0 HE ARG A 137 2.374 10.238 -12.505 1.00 4.82 H new ATOM 0 HH11 ARG A 137 2.871 11.703 -9.320 1.00 5.86 H new ATOM 0 HH12 ARG A 137 1.762 13.030 -9.680 1.00 5.86 H new ATOM 0 HH21 ARG A 137 0.797 11.796 -12.778 1.00 7.36 H new ATOM 0 HH22 ARG A 137 0.624 13.079 -11.576 1.00 7.36 H new ATOM 2268 N CYS A 138 3.406 6.049 -13.725 1.00 0.67 N ATOM 2269 CA CYS A 138 3.989 6.145 -15.068 1.00 0.80 C ATOM 2270 C CYS A 138 5.340 6.883 -15.140 1.00 0.82 C ATOM 2271 O CYS A 138 5.980 6.937 -16.189 1.00 0.94 O ATOM 2272 CB CYS A 138 2.929 6.810 -15.958 1.00 0.98 C ATOM 2273 SG CYS A 138 2.482 8.467 -15.343 1.00 2.43 S ATOM 0 H CYS A 138 2.518 6.547 -13.669 1.00 0.67 H new ATOM 0 HA CYS A 138 4.239 5.141 -15.411 1.00 0.80 H new ATOM 0 HB2 CYS A 138 3.306 6.889 -16.978 1.00 0.98 H new ATOM 0 HB3 CYS A 138 2.039 6.182 -15.995 1.00 0.98 H new ATOM 0 HG CYS A 138 1.586 8.993 -16.125 1.00 2.43 H new ATOM 2279 N SER A 139 5.789 7.442 -14.024 1.00 0.86 N ATOM 2280 CA SER A 139 7.128 7.989 -13.828 1.00 0.97 C ATOM 2281 C SER A 139 8.199 6.893 -13.864 1.00 0.88 C ATOM 2282 O SER A 139 8.194 5.989 -13.031 1.00 1.05 O ATOM 2283 CB SER A 139 7.209 8.698 -12.463 1.00 1.33 C ATOM 2284 OG SER A 139 6.668 7.913 -11.411 1.00 2.58 O ATOM 0 H SER A 139 5.205 7.531 -13.193 1.00 0.86 H new ATOM 0 HA SER A 139 7.313 8.691 -14.641 1.00 0.97 H new ATOM 0 HB2 SER A 139 8.250 8.932 -12.240 1.00 1.33 H new ATOM 0 HB3 SER A 139 6.674 9.646 -12.517 1.00 1.33 H new ATOM 0 HG SER A 139 6.934 6.977 -11.531 1.00 2.58 H new ATOM 2290 N ALA A 140 9.187 7.029 -14.751 1.00 0.92 N ATOM 2291 CA ALA A 140 10.433 6.254 -14.697 1.00 1.07 C ATOM 2292 C ALA A 140 11.438 6.798 -13.653 1.00 0.98 C ATOM 2293 O ALA A 140 12.483 6.185 -13.416 1.00 1.12 O ATOM 2294 CB ALA A 140 11.021 6.220 -16.113 1.00 1.37 C ATOM 0 H ALA A 140 9.147 7.683 -15.532 1.00 0.92 H new ATOM 0 HA ALA A 140 10.215 5.241 -14.359 1.00 1.07 H new ATOM 0 HB1 ALA A 140 11.950 5.650 -16.108 1.00 1.37 H new ATOM 0 HB2 ALA A 140 10.310 5.748 -16.791 1.00 1.37 H new ATOM 0 HB3 ALA A 140 11.221 7.238 -16.448 1.00 1.37 H new ATOM 2300 N ARG A 141 11.114 7.947 -13.042 1.00 0.86 N ATOM 2301 CA ARG A 141 11.962 8.762 -12.166 1.00 0.90 C ATOM 2302 C ARG A 141 12.512 7.972 -10.968 1.00 0.84 C ATOM 2303 O ARG A 141 11.810 7.176 -10.341 1.00 0.84 O ATOM 2304 CB ARG A 141 11.189 10.010 -11.681 1.00 0.94 C ATOM 2305 CG ARG A 141 11.148 11.181 -12.684 1.00 1.09 C ATOM 2306 CD ARG A 141 10.249 11.022 -13.921 1.00 1.48 C ATOM 2307 NE ARG A 141 8.845 11.377 -13.620 1.00 2.83 N ATOM 2308 CZ ARG A 141 8.224 12.522 -13.901 1.00 3.77 C ATOM 2309 NH1 ARG A 141 8.849 13.549 -14.434 1.00 4.23 N ATOM 2310 NH2 ARG A 141 6.941 12.654 -13.635 1.00 5.15 N ATOM 0 H ARG A 141 10.188 8.358 -13.156 1.00 0.86 H new ATOM 0 HA ARG A 141 12.822 9.075 -12.758 1.00 0.90 H new ATOM 0 HB2 ARG A 141 10.166 9.717 -11.446 1.00 0.94 H new ATOM 0 HB3 ARG A 141 11.641 10.361 -10.753 1.00 0.94 H new ATOM 0 HG2 ARG A 141 10.827 12.073 -12.147 1.00 1.09 H new ATOM 0 HG3 ARG A 141 12.166 11.365 -13.029 1.00 1.09 H new ATOM 0 HD2 ARG A 141 10.621 11.656 -14.726 1.00 1.48 H new ATOM 0 HD3 ARG A 141 10.297 9.993 -14.277 1.00 1.48 H new ATOM 0 HE ARG A 141 8.290 10.666 -13.144 1.00 2.83 H new ATOM 0 HH11 ARG A 141 9.845 13.486 -14.647 1.00 4.23 H new ATOM 0 HH12 ARG A 141 8.338 14.409 -14.634 1.00 4.23 H new ATOM 0 HH21 ARG A 141 6.425 11.881 -13.215 1.00 5.15 H new ATOM 0 HH22 ARG A 141 6.463 13.529 -13.849 1.00 5.15 H new ATOM 2324 N GLU A 142 13.780 8.226 -10.656 1.00 0.84 N ATOM 2325 CA GLU A 142 14.526 7.604 -9.559 1.00 0.79 C ATOM 2326 C GLU A 142 14.052 8.111 -8.184 1.00 0.82 C ATOM 2327 O GLU A 142 13.635 9.261 -8.036 1.00 0.94 O ATOM 2328 CB GLU A 142 16.026 7.871 -9.787 1.00 0.81 C ATOM 2329 CG GLU A 142 16.952 7.075 -8.854 1.00 1.55 C ATOM 2330 CD GLU A 142 18.451 7.267 -9.157 1.00 2.30 C ATOM 2331 OE1 GLU A 142 18.825 8.030 -10.081 1.00 2.83 O ATOM 2332 OE2 GLU A 142 19.281 6.643 -8.456 1.00 3.25 O ATOM 0 H GLU A 142 14.341 8.898 -11.180 1.00 0.84 H new ATOM 0 HA GLU A 142 14.344 6.529 -9.554 1.00 0.79 H new ATOM 0 HB2 GLU A 142 16.274 7.630 -10.821 1.00 0.81 H new ATOM 0 HB3 GLU A 142 16.220 8.935 -9.653 1.00 0.81 H new ATOM 0 HG2 GLU A 142 16.758 7.373 -7.824 1.00 1.55 H new ATOM 0 HG3 GLU A 142 16.708 6.016 -8.931 1.00 1.55 H new ATOM 2339 N ILE A 143 14.140 7.251 -7.164 1.00 0.78 N ATOM 2340 CA ILE A 143 13.839 7.566 -5.757 1.00 0.82 C ATOM 2341 C ILE A 143 15.159 7.875 -5.001 1.00 0.85 C ATOM 2342 O ILE A 143 15.988 6.966 -4.870 1.00 0.91 O ATOM 2343 CB ILE A 143 13.079 6.367 -5.136 1.00 0.89 C ATOM 2344 CG1 ILE A 143 11.629 6.226 -5.673 1.00 0.94 C ATOM 2345 CG2 ILE A 143 13.062 6.425 -3.603 1.00 1.21 C ATOM 2346 CD1 ILE A 143 10.574 7.088 -4.961 1.00 1.63 C ATOM 0 H ILE A 143 14.432 6.283 -7.296 1.00 0.78 H new ATOM 0 HA ILE A 143 13.206 8.450 -5.681 1.00 0.82 H new ATOM 0 HB ILE A 143 13.636 5.483 -5.446 1.00 0.89 H new ATOM 0 HG12 ILE A 143 11.626 6.481 -6.733 1.00 0.94 H new ATOM 0 HG13 ILE A 143 11.331 5.180 -5.596 1.00 0.94 H new ATOM 0 HG21 ILE A 143 12.519 5.565 -3.212 1.00 1.21 H new ATOM 0 HG22 ILE A 143 14.085 6.409 -3.227 1.00 1.21 H new ATOM 0 HG23 ILE A 143 12.570 7.342 -3.279 1.00 1.21 H new ATOM 0 HD11 ILE A 143 9.597 6.914 -5.413 1.00 1.63 H new ATOM 0 HD12 ILE A 143 10.538 6.821 -3.905 1.00 1.63 H new ATOM 0 HD13 ILE A 143 10.837 8.141 -5.060 1.00 1.63 H new ATOM 2358 N PRO A 144 15.365 9.106 -4.480 1.00 0.91 N ATOM 2359 CA PRO A 144 16.530 9.465 -3.659 1.00 1.05 C ATOM 2360 C PRO A 144 16.315 9.286 -2.139 1.00 1.28 C ATOM 2361 O PRO A 144 17.278 9.369 -1.379 1.00 2.66 O ATOM 2362 CB PRO A 144 16.787 10.936 -4.001 1.00 1.20 C ATOM 2363 CG PRO A 144 15.384 11.492 -4.238 1.00 1.18 C ATOM 2364 CD PRO A 144 14.637 10.313 -4.861 1.00 1.00 C ATOM 0 HA PRO A 144 17.369 8.806 -3.881 1.00 1.05 H new ATOM 0 HB2 PRO A 144 17.293 11.456 -3.188 1.00 1.20 H new ATOM 0 HB3 PRO A 144 17.415 11.039 -4.886 1.00 1.20 H new ATOM 0 HG2 PRO A 144 14.918 11.817 -3.308 1.00 1.18 H new ATOM 0 HG3 PRO A 144 15.401 12.355 -4.904 1.00 1.18 H new ATOM 0 HD2 PRO A 144 13.608 10.274 -4.503 1.00 1.00 H new ATOM 0 HD3 PRO A 144 14.593 10.412 -5.946 1.00 1.00 H new ATOM 2372 N ILE A 145 15.073 9.047 -1.695 1.00 0.84 N ATOM 2373 CA ILE A 145 14.619 8.938 -0.283 1.00 0.79 C ATOM 2374 C ILE A 145 13.144 8.526 -0.197 1.00 0.93 C ATOM 2375 O ILE A 145 12.804 7.752 0.694 1.00 1.80 O ATOM 2376 CB ILE A 145 14.938 10.215 0.559 1.00 0.73 C ATOM 2377 CG1 ILE A 145 14.382 10.192 2.011 1.00 0.74 C ATOM 2378 CG2 ILE A 145 14.596 11.546 -0.136 1.00 0.93 C ATOM 2379 CD1 ILE A 145 12.934 10.670 2.263 1.00 0.99 C ATOM 0 H ILE A 145 14.301 8.914 -2.348 1.00 0.84 H new ATOM 0 HA ILE A 145 15.201 8.137 0.173 1.00 0.79 H new ATOM 0 HB ILE A 145 16.024 10.170 0.637 1.00 0.73 H new ATOM 0 HG12 ILE A 145 14.460 9.168 2.378 1.00 0.74 H new ATOM 0 HG13 ILE A 145 15.043 10.802 2.627 1.00 0.74 H new ATOM 0 HG21 ILE A 145 14.851 12.376 0.522 1.00 0.93 H new ATOM 0 HG22 ILE A 145 15.165 11.629 -1.062 1.00 0.93 H new ATOM 0 HG23 ILE A 145 13.530 11.576 -0.361 1.00 0.93 H new ATOM 0 HD11 ILE A 145 12.704 10.590 3.325 1.00 0.99 H new ATOM 0 HD12 ILE A 145 12.833 11.708 1.947 1.00 0.99 H new ATOM 0 HD13 ILE A 145 12.242 10.049 1.694 1.00 0.99 H new ATOM 2391 N LEU A 146 12.328 9.043 -1.135 1.00 0.71 N ATOM 2392 CA LEU A 146 10.863 8.943 -1.358 1.00 0.79 C ATOM 2393 C LEU A 146 10.256 10.357 -1.517 1.00 0.89 C ATOM 2394 O LEU A 146 9.189 10.508 -2.100 1.00 1.28 O ATOM 2395 CB LEU A 146 10.153 8.069 -0.291 1.00 0.97 C ATOM 2396 CG LEU A 146 8.623 7.928 -0.382 1.00 1.07 C ATOM 2397 CD1 LEU A 146 8.155 7.437 -1.750 1.00 1.95 C ATOM 2398 CD2 LEU A 146 8.112 6.896 0.634 1.00 1.99 C ATOM 0 H LEU A 146 12.738 9.627 -1.863 1.00 0.71 H new ATOM 0 HA LEU A 146 10.690 8.411 -2.293 1.00 0.79 H new ATOM 0 HB2 LEU A 146 10.585 7.069 -0.336 1.00 0.97 H new ATOM 0 HB3 LEU A 146 10.394 8.477 0.691 1.00 0.97 H new ATOM 0 HG LEU A 146 8.230 8.926 -0.188 1.00 1.07 H new ATOM 0 HD11 LEU A 146 7.068 7.357 -1.755 1.00 1.95 H new ATOM 0 HD12 LEU A 146 8.470 8.144 -2.518 1.00 1.95 H new ATOM 0 HD13 LEU A 146 8.592 6.460 -1.955 1.00 1.95 H new ATOM 0 HD21 LEU A 146 7.028 6.812 0.553 1.00 1.99 H new ATOM 0 HD22 LEU A 146 8.568 5.927 0.429 1.00 1.99 H new ATOM 0 HD23 LEU A 146 8.377 7.216 1.642 1.00 1.99 H new ATOM 2410 N SER A 147 10.978 11.367 -1.024 1.00 0.76 N ATOM 2411 CA SER A 147 10.657 12.802 -0.893 1.00 0.80 C ATOM 2412 C SER A 147 10.047 13.010 0.491 1.00 0.74 C ATOM 2413 O SER A 147 9.075 12.346 0.837 1.00 0.69 O ATOM 2414 CB SER A 147 9.738 13.391 -1.978 1.00 0.83 C ATOM 2415 OG SER A 147 10.351 13.329 -3.261 1.00 1.27 O ATOM 0 H SER A 147 11.914 11.182 -0.663 1.00 0.76 H new ATOM 0 HA SER A 147 11.592 13.346 -1.028 1.00 0.80 H new ATOM 0 HB2 SER A 147 8.795 12.844 -1.996 1.00 0.83 H new ATOM 0 HB3 SER A 147 9.501 14.427 -1.735 1.00 0.83 H new ATOM 0 HG SER A 147 9.745 13.708 -3.932 1.00 1.27 H new ATOM 2421 N ASP A 148 10.608 13.902 1.310 1.00 0.79 N ATOM 2422 CA ASP A 148 10.263 14.030 2.733 1.00 0.79 C ATOM 2423 C ASP A 148 8.765 14.274 2.986 1.00 0.71 C ATOM 2424 O ASP A 148 8.206 13.742 3.942 1.00 0.72 O ATOM 2425 CB ASP A 148 11.127 15.134 3.366 1.00 0.89 C ATOM 2426 CG ASP A 148 11.002 16.490 2.650 1.00 2.03 C ATOM 2427 OD1 ASP A 148 11.716 16.698 1.639 1.00 3.15 O ATOM 2428 OD2 ASP A 148 10.196 17.341 3.097 1.00 3.22 O ATOM 0 H ASP A 148 11.322 14.563 1.004 1.00 0.79 H new ATOM 0 HA ASP A 148 10.478 13.073 3.209 1.00 0.79 H new ATOM 0 HB2 ASP A 148 10.841 15.255 4.411 1.00 0.89 H new ATOM 0 HB3 ASP A 148 12.171 14.820 3.355 1.00 0.89 H new ATOM 2433 N GLU A 149 8.099 15.017 2.101 1.00 0.68 N ATOM 2434 CA GLU A 149 6.676 15.332 2.212 1.00 0.73 C ATOM 2435 C GLU A 149 5.806 14.110 1.861 1.00 0.70 C ATOM 2436 O GLU A 149 4.879 13.795 2.607 1.00 0.79 O ATOM 2437 CB GLU A 149 6.388 16.570 1.337 1.00 0.86 C ATOM 2438 CG GLU A 149 5.201 17.432 1.797 1.00 1.71 C ATOM 2439 CD GLU A 149 3.823 17.036 1.246 1.00 2.23 C ATOM 2440 OE1 GLU A 149 3.694 16.088 0.438 1.00 2.53 O ATOM 2441 OE2 GLU A 149 2.834 17.710 1.619 1.00 3.71 O ATOM 0 H GLU A 149 8.540 15.422 1.275 1.00 0.68 H new ATOM 0 HA GLU A 149 6.413 15.576 3.241 1.00 0.73 H new ATOM 0 HB2 GLU A 149 7.282 17.194 1.312 1.00 0.86 H new ATOM 0 HB3 GLU A 149 6.202 16.238 0.316 1.00 0.86 H new ATOM 0 HG2 GLU A 149 5.157 17.401 2.886 1.00 1.71 H new ATOM 0 HG3 GLU A 149 5.399 18.466 1.515 1.00 1.71 H new ATOM 2448 N LEU A 150 6.158 13.363 0.803 1.00 0.64 N ATOM 2449 CA LEU A 150 5.483 12.119 0.401 1.00 0.61 C ATOM 2450 C LEU A 150 5.749 11.004 1.421 1.00 0.57 C ATOM 2451 O LEU A 150 4.823 10.298 1.804 1.00 0.62 O ATOM 2452 CB LEU A 150 5.971 11.708 -1.007 1.00 0.63 C ATOM 2453 CG LEU A 150 5.040 10.798 -1.851 1.00 0.84 C ATOM 2454 CD1 LEU A 150 5.834 10.267 -3.054 1.00 2.14 C ATOM 2455 CD2 LEU A 150 4.420 9.589 -1.133 1.00 1.92 C ATOM 0 H LEU A 150 6.935 13.612 0.191 1.00 0.64 H new ATOM 0 HA LEU A 150 4.406 12.286 0.370 1.00 0.61 H new ATOM 0 HB2 LEU A 150 6.158 12.618 -1.577 1.00 0.63 H new ATOM 0 HB3 LEU A 150 6.928 11.199 -0.896 1.00 0.63 H new ATOM 0 HG LEU A 150 4.201 11.440 -2.119 1.00 0.84 H new ATOM 0 HD11 LEU A 150 5.193 9.625 -3.658 1.00 2.14 H new ATOM 0 HD12 LEU A 150 6.182 11.105 -3.659 1.00 2.14 H new ATOM 0 HD13 LEU A 150 6.691 9.694 -2.700 1.00 2.14 H new ATOM 0 HD21 LEU A 150 3.792 9.035 -1.830 1.00 1.92 H new ATOM 0 HD22 LEU A 150 5.213 8.939 -0.764 1.00 1.92 H new ATOM 0 HD23 LEU A 150 3.815 9.935 -0.295 1.00 1.92 H new ATOM 2467 N GLN A 151 6.992 10.835 1.881 1.00 0.53 N ATOM 2468 CA GLN A 151 7.369 9.733 2.772 1.00 0.51 C ATOM 2469 C GLN A 151 6.606 9.819 4.097 1.00 0.50 C ATOM 2470 O GLN A 151 6.065 8.818 4.565 1.00 0.54 O ATOM 2471 CB GLN A 151 8.906 9.645 2.913 1.00 0.58 C ATOM 2472 CG GLN A 151 9.564 10.354 4.113 1.00 0.75 C ATOM 2473 CD GLN A 151 9.579 9.547 5.421 1.00 1.24 C ATOM 2474 OE1 GLN A 151 9.047 8.451 5.547 1.00 1.76 O ATOM 2475 NE2 GLN A 151 10.225 10.044 6.457 1.00 1.97 N ATOM 0 H GLN A 151 7.765 11.458 1.647 1.00 0.53 H new ATOM 0 HA GLN A 151 7.067 8.783 2.331 1.00 0.51 H new ATOM 0 HB2 GLN A 151 9.177 8.590 2.958 1.00 0.58 H new ATOM 0 HB3 GLN A 151 9.349 10.049 2.003 1.00 0.58 H new ATOM 0 HG2 GLN A 151 10.591 10.605 3.848 1.00 0.75 H new ATOM 0 HG3 GLN A 151 9.042 11.294 4.291 1.00 0.75 H new ATOM 0 HE21 GLN A 151 10.679 10.954 6.386 1.00 1.97 H new ATOM 0 HE22 GLN A 151 10.271 9.518 7.330 1.00 1.97 H new ATOM 2484 N LEU A 152 6.467 11.031 4.645 1.00 0.51 N ATOM 2485 CA LEU A 152 5.714 11.291 5.867 1.00 0.54 C ATOM 2486 C LEU A 152 4.217 11.094 5.619 1.00 0.52 C ATOM 2487 O LEU A 152 3.551 10.457 6.432 1.00 0.54 O ATOM 2488 CB LEU A 152 6.075 12.690 6.400 1.00 0.59 C ATOM 2489 CG LEU A 152 7.528 12.804 6.927 1.00 0.65 C ATOM 2490 CD1 LEU A 152 7.840 14.275 7.242 1.00 0.71 C ATOM 2491 CD2 LEU A 152 7.749 11.969 8.198 1.00 0.74 C ATOM 0 H LEU A 152 6.883 11.870 4.241 1.00 0.51 H new ATOM 0 HA LEU A 152 5.985 10.576 6.644 1.00 0.54 H new ATOM 0 HB2 LEU A 152 5.929 13.420 5.604 1.00 0.59 H new ATOM 0 HB3 LEU A 152 5.386 12.951 7.203 1.00 0.59 H new ATOM 0 HG LEU A 152 8.191 12.422 6.150 1.00 0.65 H new ATOM 0 HD11 LEU A 152 8.861 14.359 7.613 1.00 0.71 H new ATOM 0 HD12 LEU A 152 7.733 14.872 6.336 1.00 0.71 H new ATOM 0 HD13 LEU A 152 7.147 14.639 8.001 1.00 0.71 H new ATOM 0 HD21 LEU A 152 8.781 12.079 8.531 1.00 0.74 H new ATOM 0 HD22 LEU A 152 7.076 12.315 8.982 1.00 0.74 H new ATOM 0 HD23 LEU A 152 7.547 10.920 7.983 1.00 0.74 H new ATOM 2503 N LYS A 153 3.689 11.556 4.478 1.00 0.49 N ATOM 2504 CA LYS A 153 2.313 11.262 4.054 1.00 0.49 C ATOM 2505 C LYS A 153 2.031 9.753 3.976 1.00 0.41 C ATOM 2506 O LYS A 153 1.032 9.292 4.517 1.00 0.40 O ATOM 2507 CB LYS A 153 2.037 11.932 2.692 1.00 0.63 C ATOM 2508 CG LYS A 153 0.560 12.304 2.478 1.00 1.16 C ATOM 2509 CD LYS A 153 0.243 13.739 2.933 1.00 1.81 C ATOM 2510 CE LYS A 153 0.890 14.769 1.992 1.00 2.02 C ATOM 2511 NZ LYS A 153 0.733 16.158 2.482 1.00 2.80 N ATOM 0 H LYS A 153 4.203 12.144 3.822 1.00 0.49 H new ATOM 0 HA LYS A 153 1.641 11.669 4.809 1.00 0.49 H new ATOM 0 HB2 LYS A 153 2.646 12.832 2.609 1.00 0.63 H new ATOM 0 HB3 LYS A 153 2.353 11.259 1.895 1.00 0.63 H new ATOM 0 HG2 LYS A 153 0.311 12.198 1.422 1.00 1.16 H new ATOM 0 HG3 LYS A 153 -0.071 11.604 3.026 1.00 1.16 H new ATOM 0 HD2 LYS A 153 -0.837 13.888 2.954 1.00 1.81 H new ATOM 0 HD3 LYS A 153 0.606 13.891 3.950 1.00 1.81 H new ATOM 0 HE2 LYS A 153 1.951 14.542 1.884 1.00 2.02 H new ATOM 0 HE3 LYS A 153 0.443 14.683 1.001 1.00 2.02 H new ATOM 0 HZ1 LYS A 153 1.311 16.798 1.901 1.00 2.80 H new ATOM 0 HZ2 LYS A 153 -0.266 16.438 2.417 1.00 2.80 H new ATOM 0 HZ3 LYS A 153 1.044 16.214 3.473 1.00 2.80 H new ATOM 2525 N MET A 154 2.917 8.973 3.354 1.00 0.41 N ATOM 2526 CA MET A 154 2.816 7.514 3.237 1.00 0.41 C ATOM 2527 C MET A 154 2.915 6.821 4.607 1.00 0.42 C ATOM 2528 O MET A 154 2.144 5.901 4.888 1.00 0.43 O ATOM 2529 CB MET A 154 3.863 7.034 2.211 1.00 0.52 C ATOM 2530 CG MET A 154 4.179 5.542 2.330 1.00 1.82 C ATOM 2531 SD MET A 154 5.011 4.793 0.906 1.00 2.19 S ATOM 2532 CE MET A 154 3.544 4.241 0.009 1.00 1.00 C ATOM 0 H MET A 154 3.751 9.349 2.903 1.00 0.41 H new ATOM 0 HA MET A 154 1.831 7.231 2.867 1.00 0.41 H new ATOM 0 HB2 MET A 154 3.500 7.243 1.205 1.00 0.52 H new ATOM 0 HB3 MET A 154 4.782 7.606 2.344 1.00 0.52 H new ATOM 0 HG2 MET A 154 4.803 5.392 3.211 1.00 1.82 H new ATOM 0 HG3 MET A 154 3.246 5.006 2.505 1.00 1.82 H new ATOM 0 HE1 MET A 154 3.742 3.273 -0.452 1.00 1.00 H new ATOM 0 HE2 MET A 154 2.707 4.149 0.702 1.00 1.00 H new ATOM 0 HE3 MET A 154 3.296 4.967 -0.765 1.00 1.00 H new ATOM 2542 N GLN A 155 3.835 7.263 5.465 1.00 0.46 N ATOM 2543 CA GLN A 155 4.010 6.718 6.816 1.00 0.52 C ATOM 2544 C GLN A 155 2.769 6.981 7.689 1.00 0.49 C ATOM 2545 O GLN A 155 2.291 6.076 8.372 1.00 0.55 O ATOM 2546 CB GLN A 155 5.326 7.256 7.409 1.00 0.65 C ATOM 2547 CG GLN A 155 5.948 6.363 8.501 1.00 0.93 C ATOM 2548 CD GLN A 155 5.569 6.708 9.946 1.00 1.62 C ATOM 2549 OE1 GLN A 155 4.599 7.392 10.247 1.00 2.55 O ATOM 2550 NE2 GLN A 155 6.351 6.256 10.908 1.00 2.69 N ATOM 0 H GLN A 155 4.486 8.016 5.242 1.00 0.46 H new ATOM 0 HA GLN A 155 4.096 5.632 6.778 1.00 0.52 H new ATOM 0 HB2 GLN A 155 6.049 7.379 6.603 1.00 0.65 H new ATOM 0 HB3 GLN A 155 5.143 8.246 7.827 1.00 0.65 H new ATOM 0 HG2 GLN A 155 5.658 5.330 8.307 1.00 0.93 H new ATOM 0 HG3 GLN A 155 7.033 6.413 8.409 1.00 0.93 H new ATOM 0 HE21 GLN A 155 7.164 5.685 10.678 1.00 2.69 H new ATOM 0 HE22 GLN A 155 6.142 6.478 11.881 1.00 2.69 H new ATOM 2559 N LEU A 156 2.181 8.181 7.582 1.00 0.46 N ATOM 2560 CA LEU A 156 0.891 8.535 8.179 1.00 0.48 C ATOM 2561 C LEU A 156 -0.215 7.629 7.624 1.00 0.44 C ATOM 2562 O LEU A 156 -0.941 7.004 8.395 1.00 0.44 O ATOM 2563 CB LEU A 156 0.658 10.048 7.934 1.00 0.54 C ATOM 2564 CG LEU A 156 -0.644 10.708 8.441 1.00 0.73 C ATOM 2565 CD1 LEU A 156 -1.860 10.461 7.537 1.00 1.15 C ATOM 2566 CD2 LEU A 156 -0.974 10.323 9.886 1.00 1.84 C ATOM 0 H LEU A 156 2.603 8.951 7.063 1.00 0.46 H new ATOM 0 HA LEU A 156 0.880 8.368 9.256 1.00 0.48 H new ATOM 0 HB2 LEU A 156 1.493 10.584 8.384 1.00 0.54 H new ATOM 0 HB3 LEU A 156 0.713 10.217 6.859 1.00 0.54 H new ATOM 0 HG LEU A 156 -0.434 11.777 8.407 1.00 0.73 H new ATOM 0 HD11 LEU A 156 -2.734 10.956 7.960 1.00 1.15 H new ATOM 0 HD12 LEU A 156 -1.662 10.862 6.543 1.00 1.15 H new ATOM 0 HD13 LEU A 156 -2.049 9.390 7.465 1.00 1.15 H new ATOM 0 HD21 LEU A 156 -1.898 10.814 10.191 1.00 1.84 H new ATOM 0 HD22 LEU A 156 -1.097 9.242 9.955 1.00 1.84 H new ATOM 0 HD23 LEU A 156 -0.162 10.638 10.541 1.00 1.84 H new ATOM 2578 N LEU A 157 -0.303 7.499 6.296 1.00 0.43 N ATOM 2579 CA LEU A 157 -1.287 6.657 5.612 1.00 0.50 C ATOM 2580 C LEU A 157 -1.237 5.210 6.090 1.00 0.54 C ATOM 2581 O LEU A 157 -2.283 4.685 6.455 1.00 0.59 O ATOM 2582 CB LEU A 157 -1.108 6.756 4.082 1.00 0.57 C ATOM 2583 CG LEU A 157 -2.183 7.598 3.375 1.00 0.76 C ATOM 2584 CD1 LEU A 157 -2.285 9.049 3.869 1.00 1.50 C ATOM 2585 CD2 LEU A 157 -1.930 7.581 1.861 1.00 1.90 C ATOM 0 H LEU A 157 0.322 7.987 5.654 1.00 0.43 H new ATOM 0 HA LEU A 157 -2.278 7.032 5.867 1.00 0.50 H new ATOM 0 HB2 LEU A 157 -0.129 7.184 3.869 1.00 0.57 H new ATOM 0 HB3 LEU A 157 -1.115 5.751 3.661 1.00 0.57 H new ATOM 0 HG LEU A 157 -3.139 7.135 3.621 1.00 0.76 H new ATOM 0 HD11 LEU A 157 -3.068 9.568 3.315 1.00 1.50 H new ATOM 0 HD12 LEU A 157 -2.527 9.055 4.932 1.00 1.50 H new ATOM 0 HD13 LEU A 157 -1.333 9.555 3.711 1.00 1.50 H new ATOM 0 HD21 LEU A 157 -2.691 8.177 1.358 1.00 1.90 H new ATOM 0 HD22 LEU A 157 -0.945 7.999 1.652 1.00 1.90 H new ATOM 0 HD23 LEU A 157 -1.974 6.555 1.496 1.00 1.90 H new ATOM 2597 N VAL A 158 -0.066 4.572 6.151 1.00 0.55 N ATOM 2598 CA VAL A 158 0.026 3.187 6.655 1.00 0.61 C ATOM 2599 C VAL A 158 -0.412 3.069 8.126 1.00 0.62 C ATOM 2600 O VAL A 158 -1.159 2.150 8.455 1.00 0.69 O ATOM 2601 CB VAL A 158 1.382 2.509 6.358 1.00 0.63 C ATOM 2602 CG1 VAL A 158 2.553 3.028 7.190 1.00 0.59 C ATOM 2603 CG2 VAL A 158 1.283 0.984 6.524 1.00 0.81 C ATOM 0 H VAL A 158 0.824 4.979 5.864 1.00 0.55 H new ATOM 0 HA VAL A 158 -0.698 2.611 6.079 1.00 0.61 H new ATOM 0 HB VAL A 158 1.597 2.771 5.322 1.00 0.63 H new ATOM 0 HG11 VAL A 158 3.462 2.494 6.912 1.00 0.59 H new ATOM 0 HG12 VAL A 158 2.687 4.094 7.004 1.00 0.59 H new ATOM 0 HG13 VAL A 158 2.347 2.867 8.248 1.00 0.59 H new ATOM 0 HG21 VAL A 158 2.251 0.531 6.309 1.00 0.81 H new ATOM 0 HG22 VAL A 158 0.991 0.748 7.547 1.00 0.81 H new ATOM 0 HG23 VAL A 158 0.537 0.591 5.834 1.00 0.81 H new ATOM 2613 N ARG A 159 -0.017 4.011 9.001 1.00 0.57 N ATOM 2614 CA ARG A 159 -0.438 4.028 10.417 1.00 0.63 C ATOM 2615 C ARG A 159 -1.958 4.128 10.535 1.00 0.66 C ATOM 2616 O ARG A 159 -2.571 3.358 11.278 1.00 0.81 O ATOM 2617 CB ARG A 159 0.309 5.151 11.190 1.00 0.64 C ATOM 2618 CG ARG A 159 -0.484 6.124 12.096 1.00 1.15 C ATOM 2619 CD ARG A 159 -1.197 5.572 13.338 1.00 1.13 C ATOM 2620 NE ARG A 159 -0.284 4.819 14.219 1.00 1.94 N ATOM 2621 CZ ARG A 159 -0.530 3.656 14.814 1.00 3.18 C ATOM 2622 NH1 ARG A 159 -1.611 2.951 14.556 1.00 4.08 N ATOM 2623 NH2 ARG A 159 0.325 3.180 15.693 1.00 4.03 N ATOM 0 H ARG A 159 0.602 4.781 8.749 1.00 0.57 H new ATOM 0 HA ARG A 159 -0.159 3.084 10.884 1.00 0.63 H new ATOM 0 HB2 ARG A 159 1.063 4.670 11.813 1.00 0.64 H new ATOM 0 HB3 ARG A 159 0.841 5.754 10.454 1.00 0.64 H new ATOM 0 HG2 ARG A 159 0.206 6.899 12.430 1.00 1.15 H new ATOM 0 HG3 ARG A 159 -1.235 6.613 11.476 1.00 1.15 H new ATOM 0 HD2 ARG A 159 -1.640 6.397 13.897 1.00 1.13 H new ATOM 0 HD3 ARG A 159 -2.015 4.923 13.026 1.00 1.13 H new ATOM 0 HE ARG A 159 0.632 5.234 14.389 1.00 1.94 H new ATOM 0 HH11 ARG A 159 -2.294 3.293 13.880 1.00 4.08 H new ATOM 0 HH12 ARG A 159 -1.766 2.062 15.032 1.00 4.08 H new ATOM 0 HH21 ARG A 159 1.172 3.703 15.915 1.00 4.03 H new ATOM 0 HH22 ARG A 159 0.141 2.288 16.152 1.00 4.03 H new ATOM 2637 N GLU A 160 -2.562 5.063 9.811 1.00 0.54 N ATOM 2638 CA GLU A 160 -3.979 5.372 9.955 1.00 0.55 C ATOM 2639 C GLU A 160 -4.859 4.372 9.210 1.00 0.63 C ATOM 2640 O GLU A 160 -5.922 4.014 9.703 1.00 0.67 O ATOM 2641 CB GLU A 160 -4.275 6.760 9.394 1.00 0.56 C ATOM 2642 CG GLU A 160 -3.600 7.914 10.133 1.00 1.21 C ATOM 2643 CD GLU A 160 -4.164 8.093 11.540 1.00 1.76 C ATOM 2644 OE1 GLU A 160 -5.261 8.676 11.649 1.00 2.47 O ATOM 2645 OE2 GLU A 160 -3.514 7.649 12.514 1.00 3.17 O ATOM 0 H GLU A 160 -2.084 5.627 9.109 1.00 0.54 H new ATOM 0 HA GLU A 160 -4.204 5.325 11.020 1.00 0.55 H new ATOM 0 HB2 GLU A 160 -3.965 6.787 8.349 1.00 0.56 H new ATOM 0 HB3 GLU A 160 -5.353 6.919 9.410 1.00 0.56 H new ATOM 0 HG2 GLU A 160 -2.527 7.730 10.192 1.00 1.21 H new ATOM 0 HG3 GLU A 160 -3.734 8.836 9.567 1.00 1.21 H new ATOM 2652 N SER A 161 -4.418 3.883 8.049 1.00 0.68 N ATOM 2653 CA SER A 161 -5.112 2.827 7.316 1.00 0.78 C ATOM 2654 C SER A 161 -5.187 1.564 8.167 1.00 0.84 C ATOM 2655 O SER A 161 -6.279 1.041 8.368 1.00 0.90 O ATOM 2656 CB SER A 161 -4.414 2.537 5.980 1.00 0.92 C ATOM 2657 OG SER A 161 -5.132 1.583 5.208 1.00 1.11 O ATOM 0 H SER A 161 -3.567 4.210 7.591 1.00 0.68 H new ATOM 0 HA SER A 161 -6.125 3.166 7.098 1.00 0.78 H new ATOM 0 HB2 SER A 161 -4.314 3.463 5.413 1.00 0.92 H new ATOM 0 HB3 SER A 161 -3.406 2.168 6.169 1.00 0.92 H new ATOM 0 HG SER A 161 -4.660 1.424 4.364 1.00 1.11 H new ATOM 2663 N LEU A 162 -4.064 1.103 8.742 1.00 0.89 N ATOM 2664 CA LEU A 162 -4.096 -0.062 9.624 1.00 1.06 C ATOM 2665 C LEU A 162 -4.928 0.216 10.873 1.00 1.13 C ATOM 2666 O LEU A 162 -5.713 -0.644 11.246 1.00 1.38 O ATOM 2667 CB LEU A 162 -2.691 -0.589 9.962 1.00 1.11 C ATOM 2668 CG LEU A 162 -2.212 -1.656 8.954 1.00 1.17 C ATOM 2669 CD1 LEU A 162 -1.753 -1.051 7.621 1.00 2.40 C ATOM 2670 CD2 LEU A 162 -1.073 -2.465 9.574 1.00 2.60 C ATOM 0 H LEU A 162 -3.140 1.515 8.612 1.00 0.89 H new ATOM 0 HA LEU A 162 -4.588 -0.865 9.076 1.00 1.06 H new ATOM 0 HB2 LEU A 162 -1.986 0.242 9.972 1.00 1.11 H new ATOM 0 HB3 LEU A 162 -2.696 -1.015 10.965 1.00 1.11 H new ATOM 0 HG LEU A 162 -3.063 -2.301 8.734 1.00 1.17 H new ATOM 0 HD11 LEU A 162 -1.428 -1.848 6.953 1.00 2.40 H new ATOM 0 HD12 LEU A 162 -2.580 -0.509 7.163 1.00 2.40 H new ATOM 0 HD13 LEU A 162 -0.924 -0.366 7.799 1.00 2.40 H new ATOM 0 HD21 LEU A 162 -0.734 -3.219 8.864 1.00 2.60 H new ATOM 0 HD22 LEU A 162 -0.246 -1.799 9.820 1.00 2.60 H new ATOM 0 HD23 LEU A 162 -1.426 -2.955 10.481 1.00 2.60 H new ATOM 2682 N MET A 163 -4.823 1.395 11.497 1.00 0.99 N ATOM 2683 CA MET A 163 -5.650 1.744 12.659 1.00 1.14 C ATOM 2684 C MET A 163 -7.149 1.692 12.368 1.00 1.00 C ATOM 2685 O MET A 163 -7.900 1.025 13.083 1.00 1.11 O ATOM 2686 CB MET A 163 -5.237 3.140 13.159 1.00 1.28 C ATOM 2687 CG MET A 163 -6.223 3.763 14.157 1.00 1.49 C ATOM 2688 SD MET A 163 -7.547 4.824 13.516 1.00 2.68 S ATOM 2689 CE MET A 163 -6.530 6.160 12.849 1.00 1.26 C ATOM 0 H MET A 163 -4.171 2.127 11.215 1.00 0.99 H new ATOM 0 HA MET A 163 -5.474 0.996 13.432 1.00 1.14 H new ATOM 0 HB2 MET A 163 -4.256 3.071 13.629 1.00 1.28 H new ATOM 0 HB3 MET A 163 -5.134 3.806 12.302 1.00 1.28 H new ATOM 0 HG2 MET A 163 -6.689 2.950 14.714 1.00 1.49 H new ATOM 0 HG3 MET A 163 -5.645 4.349 14.872 1.00 1.49 H new ATOM 0 HE1 MET A 163 -7.069 7.104 12.931 1.00 1.26 H new ATOM 0 HE2 MET A 163 -5.599 6.224 13.412 1.00 1.26 H new ATOM 0 HE3 MET A 163 -6.308 5.960 11.801 1.00 1.26 H new ATOM 2699 N ALA A 164 -7.587 2.383 11.319 1.00 0.81 N ATOM 2700 CA ALA A 164 -9.000 2.517 11.007 1.00 0.78 C ATOM 2701 C ALA A 164 -9.578 1.179 10.528 1.00 0.94 C ATOM 2702 O ALA A 164 -10.673 0.780 10.928 1.00 1.00 O ATOM 2703 CB ALA A 164 -9.189 3.656 9.999 1.00 0.64 C ATOM 0 H ALA A 164 -6.970 2.864 10.664 1.00 0.81 H new ATOM 0 HA ALA A 164 -9.561 2.780 11.904 1.00 0.78 H new ATOM 0 HB1 ALA A 164 -10.248 3.760 9.762 1.00 0.64 H new ATOM 0 HB2 ALA A 164 -8.820 4.587 10.429 1.00 0.64 H new ATOM 0 HB3 ALA A 164 -8.634 3.432 9.088 1.00 0.64 H new ATOM 2709 N LEU A 165 -8.814 0.477 9.684 1.00 1.02 N ATOM 2710 CA LEU A 165 -9.180 -0.825 9.128 1.00 1.18 C ATOM 2711 C LEU A 165 -9.183 -1.892 10.227 1.00 1.30 C ATOM 2712 O LEU A 165 -10.107 -2.694 10.258 1.00 1.37 O ATOM 2713 CB LEU A 165 -8.296 -1.125 7.898 1.00 1.11 C ATOM 2714 CG LEU A 165 -8.856 -2.181 6.925 1.00 1.35 C ATOM 2715 CD1 LEU A 165 -8.461 -1.831 5.475 1.00 1.77 C ATOM 2716 CD2 LEU A 165 -8.364 -3.594 7.271 1.00 3.48 C ATOM 0 H LEU A 165 -7.904 0.808 9.363 1.00 1.02 H new ATOM 0 HA LEU A 165 -10.203 -0.824 8.753 1.00 1.18 H new ATOM 0 HB2 LEU A 165 -8.139 -0.196 7.349 1.00 1.11 H new ATOM 0 HB3 LEU A 165 -7.319 -1.458 8.247 1.00 1.11 H new ATOM 0 HG LEU A 165 -9.942 -2.172 7.021 1.00 1.35 H new ATOM 0 HD11 LEU A 165 -8.862 -2.584 4.797 1.00 1.77 H new ATOM 0 HD12 LEU A 165 -8.867 -0.854 5.213 1.00 1.77 H new ATOM 0 HD13 LEU A 165 -7.375 -1.808 5.389 1.00 1.77 H new ATOM 0 HD21 LEU A 165 -8.781 -4.309 6.562 1.00 3.48 H new ATOM 0 HD22 LEU A 165 -7.276 -3.623 7.218 1.00 3.48 H new ATOM 0 HD23 LEU A 165 -8.685 -3.854 8.280 1.00 3.48 H new ATOM 2728 N MET A 166 -8.236 -1.874 11.175 1.00 1.34 N ATOM 2729 CA MET A 166 -8.247 -2.742 12.371 1.00 1.50 C ATOM 2730 C MET A 166 -9.527 -2.546 13.196 1.00 1.40 C ATOM 2731 O MET A 166 -10.207 -3.528 13.502 1.00 1.44 O ATOM 2732 CB MET A 166 -6.986 -2.486 13.221 1.00 1.61 C ATOM 2733 CG MET A 166 -6.880 -3.256 14.548 1.00 2.70 C ATOM 2734 SD MET A 166 -6.210 -4.941 14.475 1.00 3.04 S ATOM 2735 CE MET A 166 -7.596 -5.833 13.737 1.00 1.73 C ATOM 0 H MET A 166 -7.429 -1.251 11.137 1.00 1.34 H new ATOM 0 HA MET A 166 -8.237 -3.781 12.042 1.00 1.50 H new ATOM 0 HB2 MET A 166 -6.113 -2.729 12.616 1.00 1.61 H new ATOM 0 HB3 MET A 166 -6.935 -1.420 13.441 1.00 1.61 H new ATOM 0 HG2 MET A 166 -6.258 -2.674 15.228 1.00 2.70 H new ATOM 0 HG3 MET A 166 -7.875 -3.306 14.990 1.00 2.70 H new ATOM 0 HE1 MET A 166 -7.544 -6.884 14.021 1.00 1.73 H new ATOM 0 HE2 MET A 166 -8.534 -5.407 14.093 1.00 1.73 H new ATOM 0 HE3 MET A 166 -7.547 -5.747 12.651 1.00 1.73 H new ATOM 2745 N ARG A 167 -9.906 -1.290 13.474 1.00 1.25 N ATOM 2746 CA ARG A 167 -11.174 -0.928 14.137 1.00 1.14 C ATOM 2747 C ARG A 167 -12.418 -1.431 13.385 1.00 1.07 C ATOM 2748 O ARG A 167 -13.453 -1.677 14.005 1.00 1.07 O ATOM 2749 CB ARG A 167 -11.233 0.602 14.331 1.00 1.01 C ATOM 2750 CG ARG A 167 -10.812 1.031 15.749 1.00 1.33 C ATOM 2751 CD ARG A 167 -11.983 1.482 16.641 1.00 2.24 C ATOM 2752 NE ARG A 167 -13.081 0.497 16.721 1.00 2.50 N ATOM 2753 CZ ARG A 167 -14.320 0.633 16.256 1.00 3.94 C ATOM 2754 NH1 ARG A 167 -14.716 1.675 15.553 1.00 4.86 N ATOM 2755 NH2 ARG A 167 -15.195 -0.310 16.515 1.00 5.11 N ATOM 0 H ARG A 167 -9.331 -0.480 13.241 1.00 1.25 H new ATOM 0 HA ARG A 167 -11.188 -1.428 15.106 1.00 1.14 H new ATOM 0 HB2 ARG A 167 -10.583 1.083 13.601 1.00 1.01 H new ATOM 0 HB3 ARG A 167 -12.247 0.952 14.135 1.00 1.01 H new ATOM 0 HG2 ARG A 167 -10.300 0.199 16.232 1.00 1.33 H new ATOM 0 HG3 ARG A 167 -10.092 1.846 15.672 1.00 1.33 H new ATOM 0 HD2 ARG A 167 -11.608 1.678 17.646 1.00 2.24 H new ATOM 0 HD3 ARG A 167 -12.378 2.423 16.259 1.00 2.24 H new ATOM 0 HE ARG A 167 -12.865 -0.386 17.184 1.00 2.50 H new ATOM 0 HH11 ARG A 167 -14.060 2.427 15.342 1.00 4.86 H new ATOM 0 HH12 ARG A 167 -15.679 1.730 15.220 1.00 4.86 H new ATOM 0 HH21 ARG A 167 -14.919 -1.125 17.062 1.00 5.11 H new ATOM 0 HH22 ARG A 167 -16.151 -0.228 16.169 1.00 5.11 H new ATOM 2769 N LEU A 168 -12.323 -1.607 12.065 1.00 1.09 N ATOM 2770 CA LEU A 168 -13.372 -2.173 11.207 1.00 1.17 C ATOM 2771 C LEU A 168 -13.271 -3.699 10.984 1.00 1.37 C ATOM 2772 O LEU A 168 -14.240 -4.300 10.521 1.00 1.46 O ATOM 2773 CB LEU A 168 -13.377 -1.368 9.897 1.00 1.11 C ATOM 2774 CG LEU A 168 -14.262 -0.114 10.063 1.00 1.42 C ATOM 2775 CD1 LEU A 168 -13.817 0.981 9.099 1.00 2.28 C ATOM 2776 CD2 LEU A 168 -15.737 -0.471 9.829 1.00 1.48 C ATOM 0 H LEU A 168 -11.485 -1.351 11.544 1.00 1.09 H new ATOM 0 HA LEU A 168 -14.331 -2.076 11.716 1.00 1.17 H new ATOM 0 HB2 LEU A 168 -12.360 -1.076 9.634 1.00 1.11 H new ATOM 0 HB3 LEU A 168 -13.752 -1.985 9.081 1.00 1.11 H new ATOM 0 HG LEU A 168 -14.153 0.259 11.081 1.00 1.42 H new ATOM 0 HD11 LEU A 168 -14.450 1.859 9.228 1.00 2.28 H new ATOM 0 HD12 LEU A 168 -12.781 1.248 9.305 1.00 2.28 H new ATOM 0 HD13 LEU A 168 -13.902 0.620 8.074 1.00 2.28 H new ATOM 0 HD21 LEU A 168 -16.351 0.422 9.949 1.00 1.48 H new ATOM 0 HD22 LEU A 168 -15.861 -0.864 8.820 1.00 1.48 H new ATOM 0 HD23 LEU A 168 -16.048 -1.225 10.552 1.00 1.48 H new ATOM 2788 N ASN A 169 -12.146 -4.337 11.330 1.00 1.57 N ATOM 2789 CA ASN A 169 -11.895 -5.773 11.132 1.00 1.77 C ATOM 2790 C ASN A 169 -12.098 -6.598 12.418 1.00 1.71 C ATOM 2791 O ASN A 169 -12.658 -7.693 12.356 1.00 1.79 O ATOM 2792 CB ASN A 169 -10.467 -5.961 10.578 1.00 2.05 C ATOM 2793 CG ASN A 169 -10.231 -7.303 9.878 1.00 2.57 C ATOM 2794 OD1 ASN A 169 -10.479 -8.431 10.519 1.00 3.18 O flip ATOM 2795 ND2 ASN A 169 -9.815 -7.348 8.727 1.00 3.00 N flip ATOM 0 H ASN A 169 -11.361 -3.855 11.769 1.00 1.57 H new ATOM 0 HA ASN A 169 -12.626 -6.148 10.416 1.00 1.77 H new ATOM 0 HB2 ASN A 169 -10.254 -5.156 9.875 1.00 2.05 H new ATOM 0 HB3 ASN A 169 -9.756 -5.863 11.399 1.00 2.05 H new ATOM 0 HD21 ASN A 169 -9.620 -6.484 8.221 1.00 3.00 H new ATOM 0 HD22 ASN A 169 -9.664 -8.249 8.274 1.00 3.00 H new ATOM 2802 N ASP A 170 -11.652 -6.100 13.578 1.00 1.68 N ATOM 2803 CA ASP A 170 -11.743 -6.804 14.876 1.00 1.68 C ATOM 2804 C ASP A 170 -12.337 -5.939 16.005 1.00 3.45 C ATOM 2805 O ASP A 170 -12.236 -6.274 17.187 1.00 3.86 O ATOM 2806 CB ASP A 170 -10.369 -7.399 15.234 1.00 3.07 C ATOM 2807 CG ASP A 170 -10.460 -8.572 16.229 1.00 4.16 C ATOM 2808 OD1 ASP A 170 -11.206 -9.541 15.952 1.00 5.03 O ATOM 2809 OD2 ASP A 170 -9.745 -8.548 17.260 1.00 4.99 O ATOM 0 H ASP A 170 -11.210 -5.183 13.649 1.00 1.68 H new ATOM 0 HA ASP A 170 -12.457 -7.621 14.766 1.00 1.68 H new ATOM 0 HB2 ASP A 170 -9.879 -7.741 14.322 1.00 3.07 H new ATOM 0 HB3 ASP A 170 -9.741 -6.617 15.660 1.00 3.07 H new ATOM 2814 N GLU A 171 -12.996 -4.846 15.604 1.00 5.13 N ATOM 2815 CA GLU A 171 -13.854 -3.957 16.408 1.00 7.71 C ATOM 2816 C GLU A 171 -13.093 -2.963 17.324 1.00 9.36 C ATOM 2817 O GLU A 171 -13.764 -2.143 17.989 1.00 11.04 O ATOM 2818 CB GLU A 171 -14.925 -4.771 17.174 1.00 8.70 C ATOM 2819 CG GLU A 171 -16.306 -4.094 17.158 1.00 9.74 C ATOM 2820 CD GLU A 171 -17.330 -4.864 18.025 1.00 11.03 C ATOM 2821 OE1 GLU A 171 -17.740 -5.992 17.650 1.00 10.74 O ATOM 2822 OE2 GLU A 171 -17.758 -4.340 19.086 1.00 12.60 O ATOM 2823 OXT GLU A 171 -11.841 -2.946 17.349 1.00 9.24 O ATOM 0 H GLU A 171 -12.942 -4.533 14.635 1.00 5.13 H new ATOM 0 HA GLU A 171 -14.359 -3.309 15.692 1.00 7.71 H new ATOM 0 HB2 GLU A 171 -15.006 -5.764 16.732 1.00 8.70 H new ATOM 0 HB3 GLU A 171 -14.603 -4.907 18.206 1.00 8.70 H new ATOM 0 HG2 GLU A 171 -16.214 -3.072 17.525 1.00 9.74 H new ATOM 0 HG3 GLU A 171 -16.670 -4.033 16.132 1.00 9.74 H new TER 2830 GLU A 171 HETATM 2831 C8 HTF A 172 -4.325 -8.898 -8.049 1.00 1.06 C HETATM 2832 C7 HTF A 172 -3.279 -8.988 -6.940 1.00 1.27 C HETATM 2833 C6 HTF A 172 -3.577 -8.025 -5.779 1.00 1.16 C HETATM 2834 C5 HTF A 172 -2.482 -6.973 -5.593 1.00 1.25 C HETATM 2835 C4 HTF A 172 -1.232 -7.571 -4.917 1.00 1.52 C HETATM 2836 C3 HTF A 172 0.048 -6.813 -5.279 1.00 1.76 C HETATM 2837 C2 HTF A 172 0.001 -5.329 -4.877 1.00 2.03 C HETATM 2838 C1 HTF A 172 1.156 -4.510 -5.436 1.00 2.04 C HETATM 2839 O1 HTF A 172 1.810 -3.766 -4.708 1.00 3.17 O HETATM 2840 N HTF A 172 1.407 -4.619 -6.739 1.00 1.86 N HETATM 2841 CA HTF A 172 2.502 -3.930 -7.421 1.00 1.82 C HETATM 2842 C HTF A 172 2.463 -3.995 -8.943 1.00 2.32 C HETATM 2843 O HTF A 172 1.427 -3.847 -9.596 1.00 3.59 O HETATM 2844 OD HTF A 172 3.659 -4.286 -9.426 1.00 2.13 O HETATM 2845 CG HTF A 172 4.627 -4.397 -8.395 1.00 2.04 C HETATM 2846 CB HTF A 172 3.846 -4.581 -7.091 1.00 2.00 C HETATM 0 HN HTF A 172 0.799 -5.220 -7.295 1.00 1.86 H new HETATM 0 HG3 HTF A 172 5.290 -5.243 -8.574 1.00 2.04 H new HETATM 0 HG2 HTF A 172 5.253 -3.505 -8.351 1.00 2.04 H new HETATM 0 HB3 HTF A 172 4.338 -4.093 -6.250 1.00 2.00 H new HETATM 0 HB2 HTF A 172 3.735 -5.633 -6.829 1.00 2.00 H new HETATM 0 HA HTF A 172 2.388 -2.903 -7.075 1.00 1.82 H new HETATM 0 H83 HTF A 172 -5.306 -9.149 -7.645 1.00 1.06 H new HETATM 0 H82 HTF A 172 -4.346 -7.884 -8.448 1.00 1.06 H new HETATM 0 H81 HTF A 172 -4.071 -9.597 -8.846 1.00 1.06 H new HETATM 0 H73 HTF A 172 -3.241 -10.009 -6.561 1.00 1.27 H new HETATM 0 H72 HTF A 172 -2.295 -8.764 -7.352 1.00 1.27 H new HETATM 0 H63 HTF A 172 -4.529 -7.526 -5.961 1.00 1.16 H new HETATM 0 H62 HTF A 172 -3.688 -8.596 -4.857 1.00 1.16 H new HETATM 0 H53 HTF A 172 -2.208 -6.556 -6.562 1.00 1.25 H new HETATM 0 H52 HTF A 172 -2.865 -6.151 -4.989 1.00 1.25 H new HETATM 0 H43 HTF A 172 -1.366 -7.557 -3.835 1.00 1.52 H new HETATM 0 H42 HTF A 172 -1.128 -8.615 -5.211 1.00 1.52 H new HETATM 0 H33 HTF A 172 0.897 -7.290 -4.789 1.00 1.76 H new HETATM 0 H32 HTF A 172 0.217 -6.888 -6.353 1.00 1.76 H new HETATM 0 H23 HTF A 172 -0.939 -4.898 -5.221 1.00 2.03 H new HETATM 0 H22 HTF A 172 0.007 -5.255 -3.790 1.00 2.03 H new