USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 983 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 TYR OH : rot 150:sc= -3.36! USER MOD Set 1.2: A 119 TYR OH : rot 150:sc= -0.256 USER MOD Set 2.1: A 115 GLN :FLIP amide:sc= -3.06 F(o=-3.7!,f=-3.1) USER MOD Set 2.2: A 117 TYR OH : rot 180:sc= -0.0186 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -92:sc= -7.88! USER MOD Single : A 7 LYS NZ :NH3+ -118:sc= -2.69 (180deg=-6.87!) USER MOD Single : A 11 ASN : amide:sc= -0.272 K(o=-0.27,f=-4.6!) USER MOD Single : A 13 ASN : amide:sc= -3.55! C(o=-3.5!,f=-7.8!) USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0727) USER MOD Single : A 18 MET CE :methyl -137:sc= -0.0234 (180deg=-0.495) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -111:sc= -10.8! (180deg=-13!) USER MOD Single : A 24 ASN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -121:sc=0.000454 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 173:sc= -0.14 (180deg=-0.169) USER MOD Single : A 39 THR OG1 : rot 75:sc= -6.11! USER MOD Single : A 41 THR OG1 : rot 74:sc= 0.821 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.675 F(o=-1.4,f=-0.67) USER MOD Single : A 45 ASN : amide:sc= -0.684 K(o=-0.68,f=-4.4!) USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= -0.486 (180deg=-2.12!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.765 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 53:sc= 0.222 USER MOD Single : A 53 SER OG : rot 176:sc= -0.0124! USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0.069) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.144 F(o=-0.71,f=-0.14) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -100:sc= -2.19! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -61:sc= 0.129 USER MOD Single : A 81 THR OG1 : rot -58:sc= 0.2 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -130:sc= 0 (180deg=-0.194) USER MOD Single : A 87 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.24) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -156:sc= -0.513 (180deg=-1.51!) USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= 0.0372 (180deg=-0.0576) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 146:sc= 0.0408 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.272 K(o=-0.27,f=-6.1!) USER MOD Single : A 116 THR OG1 : rot -36:sc= 0.917 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -129:sc= 1.27 (180deg=0.357) USER MOD Single : A 129 LYS NZ :NH3+ -153:sc= 0.179 (180deg=-3.1!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.447 7.995 3.904 1.00 0.00 N ATOM 2 CA ALA A 1 3.736 9.276 4.482 1.00 0.00 C ATOM 3 C ALA A 1 5.161 9.645 4.008 1.00 0.00 C ATOM 4 O ALA A 1 5.226 10.553 3.210 1.00 0.00 O ATOM 5 CB ALA A 1 3.704 9.066 5.983 1.00 0.00 C ATOM 0 H1 ALA A 1 2.494 7.692 4.190 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.492 8.064 2.867 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.145 7.299 4.235 1.00 0.00 H new ATOM 0 HA ALA A 1 3.039 10.066 4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.917 10.009 6.487 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.717 8.711 6.280 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.455 8.327 6.263 1.00 0.00 H new ATOM 13 N PHE A 2 6.221 8.953 4.501 1.00 0.00 N ATOM 14 CA PHE A 2 7.571 9.329 4.042 1.00 0.00 C ATOM 15 C PHE A 2 8.008 8.771 2.663 1.00 0.00 C ATOM 16 O PHE A 2 8.417 7.644 2.501 1.00 0.00 O ATOM 17 CB PHE A 2 8.760 9.002 5.002 1.00 0.00 C ATOM 18 CG PHE A 2 8.420 7.989 6.073 1.00 0.00 C ATOM 19 CD1 PHE A 2 7.894 6.758 5.783 1.00 0.00 C ATOM 20 CD2 PHE A 2 8.668 8.354 7.403 1.00 0.00 C ATOM 21 CE1 PHE A 2 7.614 5.883 6.818 1.00 0.00 C ATOM 22 CE2 PHE A 2 8.388 7.485 8.430 1.00 0.00 C ATOM 23 CZ PHE A 2 7.854 6.225 8.160 1.00 0.00 C ATOM 0 H PHE A 2 6.172 8.185 5.170 1.00 0.00 H new ATOM 0 HA PHE A 2 7.405 10.405 3.995 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.597 8.627 4.413 1.00 0.00 H new ATOM 0 HB3 PHE A 2 9.093 9.924 5.479 1.00 0.00 H new ATOM 0 HD1 PHE A 2 7.700 6.474 4.759 1.00 0.00 H new ATOM 0 HD2 PHE A 2 9.083 9.327 7.623 1.00 0.00 H new ATOM 0 HE1 PHE A 2 7.200 4.912 6.589 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.582 7.779 9.451 1.00 0.00 H new ATOM 0 HZ PHE A 2 7.632 5.533 8.959 1.00 0.00 H new ATOM 33 N ASP A 3 7.905 9.642 1.673 1.00 0.00 N ATOM 34 CA ASP A 3 8.261 9.434 0.249 1.00 0.00 C ATOM 35 C ASP A 3 8.989 10.660 -0.244 1.00 0.00 C ATOM 36 O ASP A 3 8.840 11.680 0.461 1.00 0.00 O ATOM 37 CB ASP A 3 7.041 9.125 -0.634 1.00 0.00 C ATOM 38 CG ASP A 3 5.798 9.084 0.224 1.00 0.00 C ATOM 39 OD1 ASP A 3 5.438 8.093 0.854 1.00 0.00 O ATOM 40 OD2 ASP A 3 5.139 10.202 0.229 1.00 0.00 O ATOM 0 H ASP A 3 7.547 10.583 1.838 1.00 0.00 H new ATOM 0 HA ASP A 3 8.904 8.557 0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.937 9.885 -1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.178 8.170 -1.141 1.00 0.00 H new ATOM 45 N GLY A 4 9.714 10.583 -1.344 1.00 0.00 N ATOM 46 CA GLY A 4 10.365 11.816 -1.707 1.00 0.00 C ATOM 47 C GLY A 4 11.737 12.126 -1.069 1.00 0.00 C ATOM 48 O GLY A 4 12.427 11.172 -0.814 1.00 0.00 O ATOM 0 H GLY A 4 9.857 9.771 -1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.491 11.821 -2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.689 12.635 -1.461 1.00 0.00 H new ATOM 52 N THR A 5 11.897 13.403 -0.905 1.00 0.00 N ATOM 53 CA THR A 5 12.969 14.103 -0.297 1.00 0.00 C ATOM 54 C THR A 5 12.556 14.475 1.094 1.00 0.00 C ATOM 55 O THR A 5 11.375 14.407 1.352 1.00 0.00 O ATOM 56 CB THR A 5 13.290 15.379 -1.118 1.00 0.00 C ATOM 57 OG1 THR A 5 12.025 16.051 -0.947 1.00 0.00 O ATOM 58 CG2 THR A 5 13.553 14.984 -2.547 1.00 0.00 C ATOM 0 H THR A 5 11.185 14.053 -1.239 1.00 0.00 H new ATOM 0 HA THR A 5 13.862 13.478 -0.265 1.00 0.00 H new ATOM 0 HB THR A 5 14.159 15.971 -0.830 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.429 15.819 -1.689 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.780 15.874 -3.135 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.399 14.298 -2.585 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.670 14.494 -2.957 1.00 0.00 H new ATOM 66 N TRP A 6 13.591 14.819 1.796 1.00 0.00 N ATOM 67 CA TRP A 6 13.552 15.127 3.195 1.00 0.00 C ATOM 68 C TRP A 6 14.946 15.532 3.609 1.00 0.00 C ATOM 69 O TRP A 6 15.820 15.219 2.829 1.00 0.00 O ATOM 70 CB TRP A 6 13.437 13.670 3.751 1.00 0.00 C ATOM 71 CG TRP A 6 12.042 13.202 3.654 1.00 0.00 C ATOM 72 CD1 TRP A 6 11.632 11.980 3.273 1.00 0.00 C ATOM 73 CD2 TRP A 6 10.770 13.834 3.879 1.00 0.00 C ATOM 74 NE1 TRP A 6 10.282 11.774 3.232 1.00 0.00 N ATOM 75 CE2 TRP A 6 9.706 12.930 3.606 1.00 0.00 C ATOM 76 CE3 TRP A 6 10.361 15.112 4.287 1.00 0.00 C ATOM 77 CZ2 TRP A 6 8.381 13.247 3.719 1.00 0.00 C ATOM 78 CZ3 TRP A 6 9.049 15.440 4.407 1.00 0.00 C ATOM 79 CH2 TRP A 6 8.051 14.510 4.124 1.00 0.00 C ATOM 0 H TRP A 6 14.525 14.896 1.395 1.00 0.00 H new ATOM 0 HA TRP A 6 12.810 15.870 3.488 1.00 0.00 H new ATOM 0 HB2 TRP A 6 14.092 13.005 3.189 1.00 0.00 H new ATOM 0 HB3 TRP A 6 13.768 13.641 4.789 1.00 0.00 H new ATOM 0 HD1 TRP A 6 12.333 11.201 3.013 1.00 0.00 H new ATOM 0 HE1 TRP A 6 9.804 10.912 2.969 1.00 0.00 H new ATOM 0 HE3 TRP A 6 11.111 15.856 4.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 7.616 12.519 3.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 8.775 16.435 4.726 1.00 0.00 H new ATOM 0 HH2 TRP A 6 7.012 14.788 4.225 1.00 0.00 H new ATOM 90 N LYS A 7 15.187 16.116 4.751 1.00 0.00 N ATOM 91 CA LYS A 7 16.557 16.584 5.036 1.00 0.00 C ATOM 92 C LYS A 7 16.654 16.752 6.517 1.00 0.00 C ATOM 93 O LYS A 7 16.209 15.898 7.274 1.00 0.00 O ATOM 94 CB LYS A 7 16.652 17.934 4.289 1.00 0.00 C ATOM 95 CG LYS A 7 15.985 17.985 2.937 1.00 0.00 C ATOM 96 CD LYS A 7 16.264 19.090 1.936 1.00 0.00 C ATOM 97 CE LYS A 7 17.587 18.885 1.151 1.00 0.00 C ATOM 98 NZ LYS A 7 17.719 19.644 -0.098 1.00 0.00 N ATOM 0 H LYS A 7 14.499 16.284 5.485 1.00 0.00 H new ATOM 0 HA LYS A 7 17.359 15.916 4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 7 16.213 18.708 4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 7 17.705 18.185 4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.218 17.045 2.438 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.910 17.992 3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.436 19.149 1.230 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.305 20.045 2.461 1.00 0.00 H new ATOM 0 HE2 LYS A 7 18.418 19.151 1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.689 17.824 0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.806 18.985 -0.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.878 20.241 -0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.566 20.245 -0.051 1.00 0.00 H new ATOM 112 N VAL A 8 17.244 17.865 6.896 1.00 0.00 N ATOM 113 CA VAL A 8 17.319 18.225 8.279 1.00 0.00 C ATOM 114 C VAL A 8 17.292 19.762 8.362 1.00 0.00 C ATOM 115 O VAL A 8 18.265 20.402 8.667 1.00 0.00 O ATOM 116 CB VAL A 8 18.387 17.548 9.120 1.00 0.00 C ATOM 117 CG1 VAL A 8 18.615 18.375 10.398 1.00 0.00 C ATOM 118 CG2 VAL A 8 18.077 16.063 9.459 1.00 0.00 C ATOM 0 H VAL A 8 17.677 18.532 6.257 1.00 0.00 H new ATOM 0 HA VAL A 8 16.443 17.808 8.775 1.00 0.00 H new ATOM 0 HB VAL A 8 19.298 17.514 8.523 1.00 0.00 H new ATOM 0 HG11 VAL A 8 19.381 17.897 11.009 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.941 19.379 10.128 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.685 18.435 10.963 1.00 0.00 H new ATOM 0 HG21 VAL A 8 18.886 15.651 10.061 1.00 0.00 H new ATOM 0 HG22 VAL A 8 17.143 16.005 10.018 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.984 15.491 8.536 1.00 0.00 H new ATOM 128 N ASP A 9 16.122 20.256 8.036 1.00 0.00 N ATOM 129 CA ASP A 9 15.901 21.678 8.037 1.00 0.00 C ATOM 130 C ASP A 9 16.307 22.278 9.367 1.00 0.00 C ATOM 131 O ASP A 9 16.802 23.407 9.334 1.00 0.00 O ATOM 132 CB ASP A 9 14.370 21.854 7.958 1.00 0.00 C ATOM 133 CG ASP A 9 13.825 23.203 7.651 1.00 0.00 C ATOM 134 OD1 ASP A 9 14.783 24.110 7.569 1.00 0.00 O ATOM 135 OD2 ASP A 9 12.679 23.511 7.491 1.00 0.00 O ATOM 0 H ASP A 9 15.313 19.696 7.768 1.00 0.00 H new ATOM 0 HA ASP A 9 16.460 22.146 7.227 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.996 21.165 7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.950 21.536 8.913 1.00 0.00 H new ATOM 140 N ARG A 10 16.092 21.587 10.485 1.00 0.00 N ATOM 141 CA ARG A 10 16.446 22.268 11.660 1.00 0.00 C ATOM 142 C ARG A 10 17.148 21.469 12.704 1.00 0.00 C ATOM 143 O ARG A 10 18.133 20.767 12.369 1.00 0.00 O ATOM 144 CB ARG A 10 15.171 22.963 12.170 1.00 0.00 C ATOM 145 CG ARG A 10 14.014 22.014 12.380 1.00 0.00 C ATOM 146 CD ARG A 10 12.674 22.711 12.654 1.00 0.00 C ATOM 147 NE ARG A 10 12.300 22.675 14.062 1.00 0.00 N ATOM 148 CZ ARG A 10 11.396 23.561 14.559 1.00 0.00 C ATOM 149 NH1 ARG A 10 10.812 24.493 13.819 1.00 0.00 N ATOM 150 NH2 ARG A 10 11.047 23.529 15.855 1.00 0.00 N ATOM 0 H ARG A 10 15.710 20.646 10.574 1.00 0.00 H new ATOM 0 HA ARG A 10 17.222 22.993 11.412 1.00 0.00 H new ATOM 0 HB2 ARG A 10 15.393 23.468 13.110 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.875 23.733 11.457 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.910 21.384 11.497 1.00 0.00 H new ATOM 0 HG3 ARG A 10 14.246 21.355 13.216 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.734 23.748 12.325 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.893 22.234 12.062 1.00 0.00 H new ATOM 0 HE ARG A 10 12.720 21.980 14.679 1.00 0.00 H new ATOM 0 HH11 ARG A 10 11.035 24.570 12.827 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.140 25.133 14.242 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.461 22.835 16.478 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.368 24.198 16.217 1.00 0.00 H new ATOM 164 N ASN A 11 16.698 21.535 13.945 1.00 0.00 N ATOM 165 CA ASN A 11 17.236 20.747 15.016 1.00 0.00 C ATOM 166 C ASN A 11 16.437 20.880 16.319 1.00 0.00 C ATOM 167 O ASN A 11 16.264 22.007 16.799 1.00 0.00 O ATOM 168 CB ASN A 11 18.722 20.927 15.275 1.00 0.00 C ATOM 169 CG ASN A 11 19.287 22.321 15.311 1.00 0.00 C ATOM 170 OD1 ASN A 11 18.993 23.100 14.417 1.00 0.00 O ATOM 171 ND2 ASN A 11 20.076 22.601 16.329 1.00 0.00 N ATOM 0 H ASN A 11 15.936 22.150 14.231 1.00 0.00 H new ATOM 0 HA ASN A 11 17.125 19.727 14.647 1.00 0.00 H new ATOM 0 HB2 ASN A 11 18.951 20.453 16.230 1.00 0.00 H new ATOM 0 HB3 ASN A 11 19.261 20.372 14.507 1.00 0.00 H new ATOM 0 HD21 ASN A 11 20.492 23.529 16.412 1.00 0.00 H new ATOM 0 HD22 ASN A 11 20.270 21.890 17.034 1.00 0.00 H new ATOM 178 N GLU A 12 15.987 19.735 16.787 1.00 0.00 N ATOM 179 CA GLU A 12 15.134 19.605 17.987 1.00 0.00 C ATOM 180 C GLU A 12 15.972 19.388 19.221 1.00 0.00 C ATOM 181 O GLU A 12 16.548 20.391 19.647 1.00 0.00 O ATOM 182 CB GLU A 12 14.358 18.252 17.785 1.00 0.00 C ATOM 183 CG GLU A 12 13.191 18.460 16.859 1.00 0.00 C ATOM 184 CD GLU A 12 11.828 18.840 17.393 1.00 0.00 C ATOM 185 OE1 GLU A 12 11.659 19.411 18.446 1.00 0.00 O ATOM 186 OE2 GLU A 12 10.792 18.532 16.669 1.00 0.00 O ATOM 0 H GLU A 12 16.199 18.840 16.346 1.00 0.00 H new ATOM 0 HA GLU A 12 14.514 20.493 18.105 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.028 17.497 17.374 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.007 17.878 18.747 1.00 0.00 H new ATOM 0 HG2 GLU A 12 13.482 19.234 16.148 1.00 0.00 H new ATOM 0 HG3 GLU A 12 13.065 17.537 16.292 1.00 0.00 H new ATOM 193 N ASN A 13 16.022 18.184 19.807 1.00 0.00 N ATOM 194 CA ASN A 13 16.914 17.894 20.943 1.00 0.00 C ATOM 195 C ASN A 13 18.202 18.236 20.164 1.00 0.00 C ATOM 196 O ASN A 13 18.504 19.426 20.315 1.00 0.00 O ATOM 197 CB ASN A 13 16.858 16.479 21.481 1.00 0.00 C ATOM 198 CG ASN A 13 16.275 16.452 22.893 1.00 0.00 C ATOM 199 OD1 ASN A 13 16.933 16.248 23.889 1.00 0.00 O ATOM 200 ND2 ASN A 13 14.950 16.679 22.935 1.00 0.00 N ATOM 0 H ASN A 13 15.453 17.390 19.513 1.00 0.00 H new ATOM 0 HA ASN A 13 16.719 18.418 21.879 1.00 0.00 H new ATOM 0 HB2 ASN A 13 16.251 15.859 20.821 1.00 0.00 H new ATOM 0 HB3 ASN A 13 17.860 16.049 21.489 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.462 16.684 23.830 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.434 16.846 22.071 1.00 0.00 H new ATOM 207 N TYR A 14 18.761 17.382 19.325 1.00 0.00 N ATOM 208 CA TYR A 14 19.883 17.892 18.600 1.00 0.00 C ATOM 209 C TYR A 14 20.901 17.010 17.927 1.00 0.00 C ATOM 210 O TYR A 14 20.888 15.812 17.840 1.00 0.00 O ATOM 211 CB TYR A 14 20.606 18.661 19.754 1.00 0.00 C ATOM 212 CG TYR A 14 20.722 17.804 20.930 1.00 0.00 C ATOM 213 CD1 TYR A 14 21.785 16.908 21.084 1.00 0.00 C ATOM 214 CD2 TYR A 14 19.805 17.724 21.984 1.00 0.00 C ATOM 215 CE1 TYR A 14 21.953 16.037 22.150 1.00 0.00 C ATOM 216 CE2 TYR A 14 19.918 16.801 23.049 1.00 0.00 C ATOM 217 CZ TYR A 14 21.017 15.961 23.157 1.00 0.00 C ATOM 218 OH TYR A 14 21.207 15.079 24.196 1.00 0.00 O ATOM 0 H TYR A 14 18.481 16.418 19.145 1.00 0.00 H new ATOM 0 HA TYR A 14 19.491 18.392 17.715 1.00 0.00 H new ATOM 0 HB2 TYR A 14 21.596 18.978 19.426 1.00 0.00 H new ATOM 0 HB3 TYR A 14 20.049 19.564 20.005 1.00 0.00 H new ATOM 0 HD1 TYR A 14 22.537 16.893 20.309 1.00 0.00 H new ATOM 0 HD2 TYR A 14 18.966 18.404 21.984 1.00 0.00 H new ATOM 0 HE1 TYR A 14 22.831 15.409 22.191 1.00 0.00 H new ATOM 0 HE2 TYR A 14 19.135 16.749 23.791 1.00 0.00 H new ATOM 0 HH TYR A 14 20.791 15.436 25.008 1.00 0.00 H new ATOM 228 N GLU A 15 21.936 17.704 17.425 1.00 0.00 N ATOM 229 CA GLU A 15 23.081 17.076 16.831 1.00 0.00 C ATOM 230 C GLU A 15 23.951 16.508 17.991 1.00 0.00 C ATOM 231 O GLU A 15 24.462 15.420 18.004 1.00 0.00 O ATOM 232 CB GLU A 15 23.935 17.950 15.887 1.00 0.00 C ATOM 233 CG GLU A 15 25.399 17.484 15.764 1.00 0.00 C ATOM 234 CD GLU A 15 25.957 17.871 14.433 1.00 0.00 C ATOM 235 OE1 GLU A 15 25.250 18.748 13.782 1.00 0.00 O ATOM 236 OE2 GLU A 15 26.994 17.371 14.042 1.00 0.00 O ATOM 0 H GLU A 15 21.982 18.723 17.430 1.00 0.00 H new ATOM 0 HA GLU A 15 22.700 16.300 16.166 1.00 0.00 H new ATOM 0 HB2 GLU A 15 23.479 17.951 14.897 1.00 0.00 H new ATOM 0 HB3 GLU A 15 23.920 18.979 16.246 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.997 17.928 16.560 1.00 0.00 H new ATOM 0 HG3 GLU A 15 25.455 16.403 15.889 1.00 0.00 H new ATOM 243 N LYS A 16 24.060 17.318 19.062 1.00 0.00 N ATOM 244 CA LYS A 16 24.719 16.972 20.294 1.00 0.00 C ATOM 245 C LYS A 16 24.476 15.530 20.779 1.00 0.00 C ATOM 246 O LYS A 16 25.201 14.991 21.598 1.00 0.00 O ATOM 247 CB LYS A 16 24.280 17.983 21.376 1.00 0.00 C ATOM 248 CG LYS A 16 25.430 18.641 22.089 1.00 0.00 C ATOM 249 CD LYS A 16 25.658 18.037 23.474 1.00 0.00 C ATOM 250 CE LYS A 16 24.952 18.651 24.672 1.00 0.00 C ATOM 251 NZ LYS A 16 25.400 20.028 24.895 1.00 0.00 N ATOM 0 H LYS A 16 23.671 18.261 19.073 1.00 0.00 H new ATOM 0 HA LYS A 16 25.791 17.021 20.104 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.663 18.753 20.913 1.00 0.00 H new ATOM 0 HB3 LYS A 16 23.655 17.471 22.108 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.336 18.535 21.492 1.00 0.00 H new ATOM 0 HG3 LYS A 16 25.235 19.709 22.186 1.00 0.00 H new ATOM 0 HD2 LYS A 16 25.371 16.987 23.426 1.00 0.00 H new ATOM 0 HD3 LYS A 16 26.729 18.066 23.673 1.00 0.00 H new ATOM 0 HE2 LYS A 16 23.874 18.637 24.510 1.00 0.00 H new ATOM 0 HE3 LYS A 16 25.149 18.052 25.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 25.037 20.368 25.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 26.440 20.058 24.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 25.042 20.637 24.132 1.00 0.00 H new ATOM 265 N PHE A 17 23.377 14.902 20.264 1.00 0.00 N ATOM 266 CA PHE A 17 22.864 13.578 20.600 1.00 0.00 C ATOM 267 C PHE A 17 23.907 12.534 20.136 1.00 0.00 C ATOM 268 O PHE A 17 24.031 11.434 20.670 1.00 0.00 O ATOM 269 CB PHE A 17 21.505 13.372 19.870 1.00 0.00 C ATOM 270 CG PHE A 17 21.698 12.402 18.750 1.00 0.00 C ATOM 271 CD1 PHE A 17 21.924 11.082 19.049 1.00 0.00 C ATOM 272 CD2 PHE A 17 21.693 12.819 17.435 1.00 0.00 C ATOM 273 CE1 PHE A 17 22.177 10.179 18.050 1.00 0.00 C ATOM 274 CE2 PHE A 17 21.934 11.911 16.420 1.00 0.00 C ATOM 275 CZ PHE A 17 22.193 10.593 16.729 1.00 0.00 C ATOM 0 H PHE A 17 22.801 15.357 19.556 1.00 0.00 H new ATOM 0 HA PHE A 17 22.700 13.471 21.672 1.00 0.00 H new ATOM 0 HB2 PHE A 17 20.756 12.998 20.568 1.00 0.00 H new ATOM 0 HB3 PHE A 17 21.136 14.323 19.486 1.00 0.00 H new ATOM 0 HD1 PHE A 17 21.902 10.753 20.077 1.00 0.00 H new ATOM 0 HD2 PHE A 17 21.501 13.855 17.198 1.00 0.00 H new ATOM 0 HE1 PHE A 17 22.364 9.144 18.293 1.00 0.00 H new ATOM 0 HE2 PHE A 17 21.919 12.233 15.389 1.00 0.00 H new ATOM 0 HZ PHE A 17 22.408 9.885 15.942 1.00 0.00 H new ATOM 285 N MET A 18 24.624 12.994 19.105 1.00 0.00 N ATOM 286 CA MET A 18 25.647 12.303 18.380 1.00 0.00 C ATOM 287 C MET A 18 26.883 12.272 19.294 1.00 0.00 C ATOM 288 O MET A 18 27.410 11.225 19.612 1.00 0.00 O ATOM 289 CB MET A 18 26.111 13.162 17.166 1.00 0.00 C ATOM 290 CG MET A 18 25.015 13.184 16.134 1.00 0.00 C ATOM 291 SD MET A 18 25.448 12.820 14.448 1.00 0.00 S ATOM 292 CE MET A 18 23.974 13.523 13.708 1.00 0.00 C ATOM 0 H MET A 18 24.477 13.936 18.743 1.00 0.00 H new ATOM 0 HA MET A 18 25.274 11.327 18.070 1.00 0.00 H new ATOM 0 HB2 MET A 18 26.344 14.176 17.490 1.00 0.00 H new ATOM 0 HB3 MET A 18 27.023 12.747 16.738 1.00 0.00 H new ATOM 0 HG2 MET A 18 24.251 12.471 16.444 1.00 0.00 H new ATOM 0 HG3 MET A 18 24.556 14.173 16.155 1.00 0.00 H new ATOM 0 HE1 MET A 18 23.606 12.858 12.927 1.00 0.00 H new ATOM 0 HE2 MET A 18 23.206 13.645 14.472 1.00 0.00 H new ATOM 0 HE3 MET A 18 24.212 14.494 13.275 1.00 0.00 H new ATOM 302 N GLU A 19 27.243 13.483 19.640 1.00 0.00 N ATOM 303 CA GLU A 19 28.392 13.791 20.469 1.00 0.00 C ATOM 304 C GLU A 19 28.401 13.007 21.783 1.00 0.00 C ATOM 305 O GLU A 19 29.447 12.585 22.301 1.00 0.00 O ATOM 306 CB GLU A 19 28.212 15.243 20.967 1.00 0.00 C ATOM 307 CG GLU A 19 29.562 15.892 21.268 1.00 0.00 C ATOM 308 CD GLU A 19 30.442 16.175 20.081 1.00 0.00 C ATOM 309 OE1 GLU A 19 30.022 16.143 18.958 1.00 0.00 O ATOM 310 OE2 GLU A 19 31.676 16.443 20.383 1.00 0.00 O ATOM 0 H GLU A 19 26.729 14.313 19.344 1.00 0.00 H new ATOM 0 HA GLU A 19 29.279 13.580 19.871 1.00 0.00 H new ATOM 0 HB2 GLU A 19 27.684 15.827 20.213 1.00 0.00 H new ATOM 0 HB3 GLU A 19 27.594 15.249 21.865 1.00 0.00 H new ATOM 0 HG2 GLU A 19 29.382 16.830 21.792 1.00 0.00 H new ATOM 0 HG3 GLU A 19 30.109 15.244 21.953 1.00 0.00 H new ATOM 317 N LYS A 20 27.198 12.874 22.291 1.00 0.00 N ATOM 318 CA LYS A 20 27.026 12.215 23.603 1.00 0.00 C ATOM 319 C LYS A 20 27.227 10.727 23.514 1.00 0.00 C ATOM 320 O LYS A 20 27.512 10.057 24.512 1.00 0.00 O ATOM 321 CB LYS A 20 25.683 12.707 24.104 1.00 0.00 C ATOM 322 CG LYS A 20 25.703 14.218 24.254 1.00 0.00 C ATOM 323 CD LYS A 20 26.114 14.479 25.682 1.00 0.00 C ATOM 324 CE LYS A 20 25.124 14.135 26.743 1.00 0.00 C ATOM 325 NZ LYS A 20 25.821 13.728 27.978 1.00 0.00 N ATOM 0 H LYS A 20 26.337 13.195 21.848 1.00 0.00 H new ATOM 0 HA LYS A 20 27.786 12.476 24.339 1.00 0.00 H new ATOM 0 HB2 LYS A 20 24.897 12.413 23.408 1.00 0.00 H new ATOM 0 HB3 LYS A 20 25.451 12.242 25.062 1.00 0.00 H new ATOM 0 HG2 LYS A 20 26.405 14.672 23.555 1.00 0.00 H new ATOM 0 HG3 LYS A 20 24.723 14.646 24.044 1.00 0.00 H new ATOM 0 HD2 LYS A 20 27.030 13.921 25.879 1.00 0.00 H new ATOM 0 HD3 LYS A 20 26.359 15.537 25.777 1.00 0.00 H new ATOM 0 HE2 LYS A 20 24.483 14.993 26.945 1.00 0.00 H new ATOM 0 HE3 LYS A 20 24.477 13.328 26.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 25.121 13.491 28.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 26.414 12.896 27.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 26.420 14.510 28.312 1.00 0.00 H new ATOM 339 N MET A 21 27.102 10.199 22.275 1.00 0.00 N ATOM 340 CA MET A 21 27.329 8.787 22.058 1.00 0.00 C ATOM 341 C MET A 21 28.858 8.508 22.081 1.00 0.00 C ATOM 342 O MET A 21 29.271 7.378 22.272 1.00 0.00 O ATOM 343 CB MET A 21 26.795 8.191 20.764 1.00 0.00 C ATOM 344 CG MET A 21 25.582 8.878 20.151 1.00 0.00 C ATOM 345 SD MET A 21 24.334 7.706 19.541 1.00 0.00 S ATOM 346 CE MET A 21 23.032 8.195 20.666 1.00 0.00 C ATOM 0 H MET A 21 26.851 10.730 21.441 1.00 0.00 H new ATOM 0 HA MET A 21 26.770 8.311 22.864 1.00 0.00 H new ATOM 0 HB2 MET A 21 27.599 8.197 20.028 1.00 0.00 H new ATOM 0 HB3 MET A 21 26.539 7.148 20.949 1.00 0.00 H new ATOM 0 HG2 MET A 21 25.126 9.531 20.896 1.00 0.00 H new ATOM 0 HG3 MET A 21 25.909 9.513 19.328 1.00 0.00 H new ATOM 0 HE1 MET A 21 22.846 7.391 21.379 1.00 0.00 H new ATOM 0 HE2 MET A 21 23.334 9.094 21.203 1.00 0.00 H new ATOM 0 HE3 MET A 21 22.121 8.398 20.102 1.00 0.00 H new ATOM 356 N GLY A 22 29.573 9.634 21.862 1.00 0.00 N ATOM 357 CA GLY A 22 31.032 9.722 21.806 1.00 0.00 C ATOM 358 C GLY A 22 31.543 10.214 20.436 1.00 0.00 C ATOM 359 O GLY A 22 32.717 10.012 20.068 1.00 0.00 O ATOM 0 H GLY A 22 29.122 10.537 21.715 1.00 0.00 H new ATOM 0 HA2 GLY A 22 31.382 10.399 22.585 1.00 0.00 H new ATOM 0 HA3 GLY A 22 31.460 8.743 22.019 1.00 0.00 H new ATOM 363 N ILE A 23 30.704 10.865 19.645 1.00 0.00 N ATOM 364 CA ILE A 23 31.026 11.391 18.335 1.00 0.00 C ATOM 365 C ILE A 23 32.129 12.412 18.468 1.00 0.00 C ATOM 366 O ILE A 23 31.943 13.417 19.141 1.00 0.00 O ATOM 367 CB ILE A 23 29.747 11.930 17.718 1.00 0.00 C ATOM 368 CG1 ILE A 23 29.020 10.844 16.961 1.00 0.00 C ATOM 369 CG2 ILE A 23 29.934 13.133 16.780 1.00 0.00 C ATOM 370 CD1 ILE A 23 28.854 9.566 17.762 1.00 0.00 C ATOM 0 H ILE A 23 29.737 11.047 19.915 1.00 0.00 H new ATOM 0 HA ILE A 23 31.409 10.624 17.662 1.00 0.00 H new ATOM 0 HB ILE A 23 29.165 12.282 18.570 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.037 11.211 16.667 1.00 0.00 H new ATOM 0 HG13 ILE A 23 29.565 10.622 16.044 1.00 0.00 H new ATOM 0 HG21 ILE A 23 28.965 13.445 16.390 1.00 0.00 H new ATOM 0 HG22 ILE A 23 30.385 13.958 17.332 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.585 12.851 15.952 1.00 0.00 H new ATOM 0 HD11 ILE A 23 28.324 8.826 17.162 1.00 0.00 H new ATOM 0 HD12 ILE A 23 29.835 9.177 18.034 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.283 9.775 18.667 1.00 0.00 H new ATOM 382 N ASN A 24 33.281 12.170 17.834 1.00 0.00 N ATOM 383 CA ASN A 24 34.425 13.055 17.867 1.00 0.00 C ATOM 384 C ASN A 24 34.130 14.527 17.700 1.00 0.00 C ATOM 385 O ASN A 24 33.106 14.873 17.146 1.00 0.00 O ATOM 386 CB ASN A 24 35.607 12.583 17.013 1.00 0.00 C ATOM 387 CG ASN A 24 36.504 11.583 17.731 1.00 0.00 C ATOM 388 OD1 ASN A 24 37.201 11.928 18.680 1.00 0.00 O ATOM 389 ND2 ASN A 24 36.444 10.360 17.240 1.00 0.00 N ATOM 0 H ASN A 24 33.436 11.332 17.274 1.00 0.00 H new ATOM 0 HA ASN A 24 34.748 12.973 18.905 1.00 0.00 H new ATOM 0 HB2 ASN A 24 35.227 12.129 16.098 1.00 0.00 H new ATOM 0 HB3 ASN A 24 36.201 13.447 16.717 1.00 0.00 H new ATOM 0 HD21 ASN A 24 37.006 9.616 17.654 1.00 0.00 H new ATOM 0 HD22 ASN A 24 35.836 10.158 16.446 1.00 0.00 H new ATOM 396 N VAL A 25 35.063 15.328 18.200 1.00 0.00 N ATOM 397 CA VAL A 25 34.937 16.775 18.132 1.00 0.00 C ATOM 398 C VAL A 25 35.114 17.500 16.821 1.00 0.00 C ATOM 399 O VAL A 25 34.658 18.650 16.692 1.00 0.00 O ATOM 400 CB VAL A 25 35.530 17.541 19.330 1.00 0.00 C ATOM 401 CG1 VAL A 25 35.329 16.749 20.603 1.00 0.00 C ATOM 402 CG2 VAL A 25 36.998 17.794 19.104 1.00 0.00 C ATOM 0 H VAL A 25 35.914 14.999 18.656 1.00 0.00 H new ATOM 0 HA VAL A 25 33.851 16.807 18.214 1.00 0.00 H new ATOM 0 HB VAL A 25 35.018 18.498 19.427 1.00 0.00 H new ATOM 0 HG11 VAL A 25 35.752 17.299 21.444 1.00 0.00 H new ATOM 0 HG12 VAL A 25 34.263 16.593 20.770 1.00 0.00 H new ATOM 0 HG13 VAL A 25 35.827 15.784 20.513 1.00 0.00 H new ATOM 0 HG21 VAL A 25 37.409 18.336 19.956 1.00 0.00 H new ATOM 0 HG22 VAL A 25 37.518 16.843 18.994 1.00 0.00 H new ATOM 0 HG23 VAL A 25 37.130 18.387 18.199 1.00 0.00 H new ATOM 412 N VAL A 26 35.754 16.950 15.798 1.00 0.00 N ATOM 413 CA VAL A 26 35.963 17.594 14.502 1.00 0.00 C ATOM 414 C VAL A 26 34.662 18.022 13.854 1.00 0.00 C ATOM 415 O VAL A 26 34.606 18.896 12.989 1.00 0.00 O ATOM 416 CB VAL A 26 36.872 16.852 13.556 1.00 0.00 C ATOM 417 CG1 VAL A 26 38.346 17.155 13.867 1.00 0.00 C ATOM 418 CG2 VAL A 26 36.627 15.380 13.668 1.00 0.00 C ATOM 0 H VAL A 26 36.156 16.014 15.846 1.00 0.00 H new ATOM 0 HA VAL A 26 36.519 18.501 14.738 1.00 0.00 H new ATOM 0 HB VAL A 26 36.656 17.182 12.540 1.00 0.00 H new ATOM 0 HG11 VAL A 26 38.984 16.609 13.172 1.00 0.00 H new ATOM 0 HG12 VAL A 26 38.527 18.225 13.762 1.00 0.00 H new ATOM 0 HG13 VAL A 26 38.573 16.847 14.887 1.00 0.00 H new ATOM 0 HG21 VAL A 26 37.286 14.848 12.982 1.00 0.00 H new ATOM 0 HG22 VAL A 26 36.827 15.055 14.689 1.00 0.00 H new ATOM 0 HG23 VAL A 26 35.589 15.164 13.415 1.00 0.00 H new ATOM 428 N LYS A 27 33.613 17.341 14.345 1.00 0.00 N ATOM 429 CA LYS A 27 32.256 17.556 13.955 1.00 0.00 C ATOM 430 C LYS A 27 31.738 18.802 14.725 1.00 0.00 C ATOM 431 O LYS A 27 30.902 19.576 14.264 1.00 0.00 O ATOM 432 CB LYS A 27 31.434 16.294 14.125 1.00 0.00 C ATOM 433 CG LYS A 27 29.917 16.570 14.089 1.00 0.00 C ATOM 434 CD LYS A 27 29.035 15.419 13.627 1.00 0.00 C ATOM 435 CE LYS A 27 28.514 15.639 12.204 1.00 0.00 C ATOM 436 NZ LYS A 27 27.231 14.979 11.881 1.00 0.00 N ATOM 0 H LYS A 27 33.716 16.607 15.046 1.00 0.00 H new ATOM 0 HA LYS A 27 32.166 17.775 12.891 1.00 0.00 H new ATOM 0 HB2 LYS A 27 31.691 15.588 13.336 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.692 15.821 15.072 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.599 16.865 15.089 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.739 17.422 13.433 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.601 14.488 13.667 1.00 0.00 H new ATOM 0 HD3 LYS A 27 28.193 15.310 14.310 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.401 16.711 12.040 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.270 15.287 11.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.366 14.330 11.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.898 14.443 12.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 26.524 15.699 11.628 1.00 0.00 H new ATOM 595 N LYS A 37 19.909 15.688 2.677 1.00 0.00 N ATOM 596 CA LYS A 37 18.579 15.224 2.274 1.00 0.00 C ATOM 597 C LYS A 37 18.518 13.788 2.765 1.00 0.00 C ATOM 598 O LYS A 37 19.052 12.942 2.019 1.00 0.00 O ATOM 599 CB LYS A 37 18.399 15.312 0.773 1.00 0.00 C ATOM 600 CG LYS A 37 16.953 15.515 0.326 1.00 0.00 C ATOM 601 CD LYS A 37 16.902 15.234 -1.177 1.00 0.00 C ATOM 602 CE LYS A 37 17.933 16.006 -1.969 1.00 0.00 C ATOM 603 NZ LYS A 37 17.647 16.122 -3.404 1.00 0.00 N ATOM 0 HA LYS A 37 17.779 15.834 2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.004 16.136 0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.783 14.399 0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.285 14.844 0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.623 16.532 0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.050 14.167 -1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.908 15.480 -1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.019 17.008 -1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.902 15.524 -1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.338 16.762 -3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.712 15.184 -3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.688 16.502 -3.537 1.00 0.00 H new ATOM 617 N LEU A 38 17.952 13.469 3.913 1.00 0.00 N ATOM 618 CA LEU A 38 17.849 12.058 4.273 1.00 0.00 C ATOM 619 C LEU A 38 17.222 11.490 3.006 1.00 0.00 C ATOM 620 O LEU A 38 17.770 10.486 2.566 1.00 0.00 O ATOM 621 CB LEU A 38 16.756 11.716 5.288 1.00 0.00 C ATOM 622 CG LEU A 38 16.986 10.592 6.313 1.00 0.00 C ATOM 623 CD1 LEU A 38 17.331 9.354 5.521 1.00 0.00 C ATOM 624 CD2 LEU A 38 18.177 11.032 7.157 1.00 0.00 C ATOM 0 H LEU A 38 17.570 14.130 4.590 1.00 0.00 H new ATOM 0 HA LEU A 38 18.813 11.720 4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 38 16.536 12.625 5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.858 11.463 4.725 1.00 0.00 H new ATOM 0 HG LEU A 38 16.125 10.393 6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 38 17.505 8.522 6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 38 16.506 9.108 4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.232 9.536 4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 38 18.392 10.272 7.908 1.00 0.00 H new ATOM 0 HD22 LEU A 38 19.048 11.165 6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 38 17.944 11.975 7.652 1.00 0.00 H new ATOM 636 N THR A 39 16.213 12.198 2.602 1.00 0.00 N ATOM 637 CA THR A 39 15.346 11.950 1.424 1.00 0.00 C ATOM 638 C THR A 39 14.705 10.631 1.724 1.00 0.00 C ATOM 639 O THR A 39 15.332 9.831 2.399 1.00 0.00 O ATOM 640 CB THR A 39 16.211 11.823 0.142 1.00 0.00 C ATOM 641 OG1 THR A 39 17.290 12.705 0.331 1.00 0.00 O ATOM 642 CG2 THR A 39 15.496 12.203 -1.149 1.00 0.00 C ATOM 0 H THR A 39 15.927 13.037 3.107 1.00 0.00 H new ATOM 0 HA THR A 39 14.627 12.752 1.254 1.00 0.00 H new ATOM 0 HB THR A 39 16.494 10.778 0.018 1.00 0.00 H new ATOM 0 HG1 THR A 39 17.924 12.315 0.969 1.00 0.00 H new ATOM 0 HG21 THR A 39 16.178 12.083 -1.991 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.629 11.557 -1.289 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.169 13.241 -1.092 1.00 0.00 H new ATOM 650 N ILE A 40 13.513 10.285 1.269 1.00 0.00 N ATOM 651 CA ILE A 40 12.987 8.944 1.560 1.00 0.00 C ATOM 652 C ILE A 40 12.144 8.340 0.441 1.00 0.00 C ATOM 653 O ILE A 40 11.133 8.892 0.078 1.00 0.00 O ATOM 654 CB ILE A 40 12.320 8.867 2.922 1.00 0.00 C ATOM 655 CG1 ILE A 40 13.231 9.268 4.103 1.00 0.00 C ATOM 656 CG2 ILE A 40 11.807 7.429 3.179 1.00 0.00 C ATOM 657 CD1 ILE A 40 12.609 9.249 5.518 1.00 0.00 C ATOM 0 H ILE A 40 12.902 10.884 0.714 1.00 0.00 H new ATOM 0 HA ILE A 40 13.864 8.299 1.608 1.00 0.00 H new ATOM 0 HB ILE A 40 11.505 9.590 2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 40 14.093 8.601 4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 40 13.606 10.274 3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.330 7.382 4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.084 7.158 2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.645 6.733 3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.359 9.551 6.249 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.767 9.940 5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.262 8.242 5.749 1.00 0.00 H new ATOM 669 N THR A 41 12.607 7.191 -0.069 1.00 0.00 N ATOM 670 CA THR A 41 11.940 6.462 -1.119 1.00 0.00 C ATOM 671 C THR A 41 11.659 5.023 -0.698 1.00 0.00 C ATOM 672 O THR A 41 12.397 4.083 -0.974 1.00 0.00 O ATOM 673 CB THR A 41 12.591 6.464 -2.504 1.00 0.00 C ATOM 674 OG1 THR A 41 13.516 7.482 -2.632 1.00 0.00 O ATOM 675 CG2 THR A 41 11.467 6.660 -3.517 1.00 0.00 C ATOM 0 H THR A 41 13.468 6.748 0.251 1.00 0.00 H new ATOM 0 HA THR A 41 11.020 7.032 -1.249 1.00 0.00 H new ATOM 0 HB THR A 41 13.125 5.527 -2.665 1.00 0.00 H new ATOM 0 HG1 THR A 41 14.321 7.259 -2.120 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.883 6.669 -4.525 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.750 5.844 -3.427 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.964 7.608 -3.324 1.00 0.00 H new ATOM 683 N GLN A 42 10.562 4.851 -0.021 1.00 0.00 N ATOM 684 CA GLN A 42 10.089 3.579 0.458 1.00 0.00 C ATOM 685 C GLN A 42 10.023 2.670 -0.741 1.00 0.00 C ATOM 686 O GLN A 42 9.509 3.015 -1.785 1.00 0.00 O ATOM 687 CB GLN A 42 8.646 3.774 0.943 1.00 0.00 C ATOM 688 CG GLN A 42 7.668 4.394 -0.064 1.00 0.00 C ATOM 689 CD GLN A 42 6.782 3.413 -0.833 1.00 0.00 C ATOM 690 OE1 GLN A 42 6.962 3.379 -2.139 1.00 0.00 O flip ATOM 691 NE2 GLN A 42 5.937 2.687 -0.239 1.00 0.00 N flip ATOM 0 H GLN A 42 9.944 5.624 0.225 1.00 0.00 H new ATOM 0 HA GLN A 42 10.726 3.183 1.249 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.254 2.804 1.248 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.666 4.404 1.832 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.024 5.093 0.469 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.241 4.976 -0.785 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.834 2.749 0.774 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.357 2.039 -0.772 1.00 0.00 H new ATOM 700 N GLU A 43 10.575 1.518 -0.543 1.00 0.00 N ATOM 701 CA GLU A 43 10.669 0.482 -1.552 1.00 0.00 C ATOM 702 C GLU A 43 10.349 -0.809 -0.817 1.00 0.00 C ATOM 703 O GLU A 43 10.080 -0.663 0.377 1.00 0.00 O ATOM 704 CB GLU A 43 12.073 0.570 -2.158 1.00 0.00 C ATOM 705 CG GLU A 43 12.081 1.216 -3.545 1.00 0.00 C ATOM 706 CD GLU A 43 13.416 1.826 -3.710 1.00 0.00 C ATOM 707 OE1 GLU A 43 14.415 1.197 -4.025 1.00 0.00 O ATOM 708 OE2 GLU A 43 13.460 3.101 -3.496 1.00 0.00 O ATOM 0 H GLU A 43 10.990 1.251 0.350 1.00 0.00 H new ATOM 0 HA GLU A 43 9.981 0.565 -2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.716 1.144 -1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.498 -0.432 -2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.894 0.474 -4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.297 1.968 -3.628 1.00 0.00 H new ATOM 715 N GLY A 44 10.373 -1.956 -1.495 1.00 0.00 N ATOM 716 CA GLY A 44 10.086 -3.284 -0.970 1.00 0.00 C ATOM 717 C GLY A 44 10.776 -3.366 0.375 1.00 0.00 C ATOM 718 O GLY A 44 11.918 -3.785 0.552 1.00 0.00 O ATOM 0 H GLY A 44 10.608 -1.980 -2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.012 -3.438 -0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.455 -4.057 -1.644 1.00 0.00 H new ATOM 722 N ASN A 45 10.022 -2.932 1.387 1.00 0.00 N ATOM 723 CA ASN A 45 10.430 -2.888 2.766 1.00 0.00 C ATOM 724 C ASN A 45 11.552 -1.828 2.952 1.00 0.00 C ATOM 725 O ASN A 45 11.371 -0.852 3.643 1.00 0.00 O ATOM 726 CB ASN A 45 10.834 -4.276 3.290 1.00 0.00 C ATOM 727 CG ASN A 45 9.729 -5.302 3.062 1.00 0.00 C ATOM 728 OD1 ASN A 45 8.846 -5.146 2.164 1.00 0.00 O ATOM 729 ND2 ASN A 45 9.773 -6.346 3.866 1.00 0.00 N ATOM 0 H ASN A 45 9.071 -2.590 1.247 1.00 0.00 H new ATOM 0 HA ASN A 45 9.577 -2.582 3.372 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.745 -4.604 2.790 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.060 -4.213 4.355 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.072 -7.083 3.784 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.508 -6.417 4.570 1.00 0.00 H new ATOM 736 N LYS A 46 12.687 -2.046 2.325 1.00 0.00 N ATOM 737 CA LYS A 46 13.743 -1.058 2.484 1.00 0.00 C ATOM 738 C LYS A 46 13.350 0.281 1.932 1.00 0.00 C ATOM 739 O LYS A 46 12.221 0.541 1.520 1.00 0.00 O ATOM 740 CB LYS A 46 15.018 -1.415 1.696 1.00 0.00 C ATOM 741 CG LYS A 46 15.248 -0.754 0.355 1.00 0.00 C ATOM 742 CD LYS A 46 14.091 -0.765 -0.637 1.00 0.00 C ATOM 743 CE LYS A 46 14.224 -1.940 -1.616 1.00 0.00 C ATOM 744 NZ LYS A 46 13.155 -2.939 -1.607 1.00 0.00 N ATOM 0 H LYS A 46 12.902 -2.848 1.732 1.00 0.00 H new ATOM 0 HA LYS A 46 13.917 -1.038 3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.874 -1.185 2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.019 -2.494 1.538 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.529 0.284 0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.102 -1.238 -0.118 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.146 -0.839 -0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.071 0.174 -1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.298 -1.533 -2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.165 -2.449 -1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.544 -3.866 -1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.744 -2.999 -0.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.417 -2.664 -2.286 1.00 0.00 H new ATOM 758 N PHE A 47 14.378 1.137 1.898 1.00 0.00 N ATOM 759 CA PHE A 47 14.138 2.422 1.289 1.00 0.00 C ATOM 760 C PHE A 47 15.431 3.113 0.834 1.00 0.00 C ATOM 761 O PHE A 47 16.391 3.175 1.559 1.00 0.00 O ATOM 762 CB PHE A 47 13.348 3.443 2.157 1.00 0.00 C ATOM 763 CG PHE A 47 12.866 3.004 3.491 1.00 0.00 C ATOM 764 CD1 PHE A 47 11.706 2.269 3.701 1.00 0.00 C ATOM 765 CD2 PHE A 47 13.592 3.337 4.639 1.00 0.00 C ATOM 766 CE1 PHE A 47 11.296 1.887 4.987 1.00 0.00 C ATOM 767 CE2 PHE A 47 13.213 2.975 5.916 1.00 0.00 C ATOM 768 CZ PHE A 47 12.053 2.242 6.095 1.00 0.00 C ATOM 0 H PHE A 47 15.317 0.970 2.261 1.00 0.00 H new ATOM 0 HA PHE A 47 13.514 2.154 0.437 1.00 0.00 H new ATOM 0 HB2 PHE A 47 13.983 4.317 2.303 1.00 0.00 H new ATOM 0 HB3 PHE A 47 12.482 3.770 1.581 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.104 1.984 2.851 1.00 0.00 H new ATOM 0 HD2 PHE A 47 14.500 3.909 4.520 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.389 1.315 5.115 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.815 3.261 6.766 1.00 0.00 H new ATOM 0 HZ PHE A 47 11.740 1.949 7.086 1.00 0.00 H new ATOM 778 N THR A 48 15.321 3.595 -0.388 1.00 0.00 N ATOM 779 CA THR A 48 16.337 4.283 -1.098 1.00 0.00 C ATOM 780 C THR A 48 16.317 5.616 -0.456 1.00 0.00 C ATOM 781 O THR A 48 15.689 6.548 -1.010 1.00 0.00 O ATOM 782 CB THR A 48 16.055 4.408 -2.628 1.00 0.00 C ATOM 783 OG1 THR A 48 16.238 3.177 -3.262 1.00 0.00 O ATOM 784 CG2 THR A 48 16.892 5.503 -3.298 1.00 0.00 C ATOM 0 H THR A 48 14.461 3.502 -0.929 1.00 0.00 H new ATOM 0 HA THR A 48 17.294 3.763 -1.050 1.00 0.00 H new ATOM 0 HB THR A 48 15.013 4.708 -2.736 1.00 0.00 H new ATOM 0 HG1 THR A 48 16.056 3.272 -4.220 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.654 5.544 -4.361 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.667 6.465 -2.838 1.00 0.00 H new ATOM 0 HG23 THR A 48 17.951 5.280 -3.172 1.00 0.00 H new ATOM 792 N VAL A 49 16.973 5.701 0.660 1.00 0.00 N ATOM 793 CA VAL A 49 17.002 7.016 1.359 1.00 0.00 C ATOM 794 C VAL A 49 18.308 7.592 0.848 1.00 0.00 C ATOM 795 O VAL A 49 19.189 6.742 0.580 1.00 0.00 O ATOM 796 CB VAL A 49 16.991 6.945 2.856 1.00 0.00 C ATOM 797 CG1 VAL A 49 16.294 5.680 3.369 1.00 0.00 C ATOM 798 CG2 VAL A 49 18.374 6.996 3.511 1.00 0.00 C ATOM 0 H VAL A 49 17.480 4.941 1.113 1.00 0.00 H new ATOM 0 HA VAL A 49 16.108 7.605 1.153 1.00 0.00 H new ATOM 0 HB VAL A 49 16.442 7.842 3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 49 16.310 5.672 4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 49 15.261 5.667 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 49 16.814 4.800 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 49 18.266 6.939 4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 49 18.973 6.156 3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 49 18.869 7.930 3.245 1.00 0.00 H new ATOM 808 N LYS A 50 18.416 8.885 0.728 1.00 0.00 N ATOM 809 CA LYS A 50 19.672 9.434 0.241 1.00 0.00 C ATOM 810 C LYS A 50 20.567 9.472 1.440 1.00 0.00 C ATOM 811 O LYS A 50 20.959 8.336 1.790 1.00 0.00 O ATOM 812 CB LYS A 50 19.606 10.770 -0.410 1.00 0.00 C ATOM 813 CG LYS A 50 18.916 10.769 -1.759 1.00 0.00 C ATOM 814 CD LYS A 50 19.249 12.040 -2.495 1.00 0.00 C ATOM 815 CE LYS A 50 20.302 11.702 -3.499 1.00 0.00 C ATOM 816 NZ LYS A 50 19.673 11.189 -4.722 1.00 0.00 N ATOM 0 H LYS A 50 17.688 9.564 0.948 1.00 0.00 H new ATOM 0 HA LYS A 50 20.032 8.800 -0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.083 11.459 0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.619 11.153 -0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.235 9.905 -2.342 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.837 10.684 -1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.364 12.444 -2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.606 12.803 -1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.897 12.586 -3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.983 10.957 -3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.409 10.955 -5.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.124 10.335 -4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.040 11.914 -5.117 1.00 0.00 H new ATOM 830 N GLU A 51 20.840 10.635 1.988 1.00 0.00 N ATOM 831 CA GLU A 51 21.703 10.866 3.115 1.00 0.00 C ATOM 832 C GLU A 51 22.914 11.596 2.563 1.00 0.00 C ATOM 833 O GLU A 51 24.045 11.110 2.634 1.00 0.00 O ATOM 834 CB GLU A 51 22.267 9.610 3.720 1.00 0.00 C ATOM 835 CG GLU A 51 22.855 9.798 5.117 1.00 0.00 C ATOM 836 CD GLU A 51 22.756 8.542 5.918 1.00 0.00 C ATOM 837 OE1 GLU A 51 22.629 7.344 5.303 1.00 0.00 O ATOM 838 OE2 GLU A 51 22.804 8.767 7.104 1.00 0.00 O ATOM 0 H GLU A 51 20.435 11.500 1.630 1.00 0.00 H new ATOM 0 HA GLU A 51 21.120 11.390 3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 51 21.480 8.858 3.767 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.042 9.219 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 51 23.899 10.100 5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 51 22.329 10.602 5.631 1.00 0.00 H new ATOM 845 N SER A 52 22.762 12.770 1.991 1.00 0.00 N ATOM 846 CA SER A 52 23.872 13.499 1.439 1.00 0.00 C ATOM 847 C SER A 52 24.017 14.866 2.070 1.00 0.00 C ATOM 848 O SER A 52 23.433 15.820 1.583 1.00 0.00 O ATOM 849 CB SER A 52 23.666 13.706 -0.041 1.00 0.00 C ATOM 850 OG SER A 52 22.301 13.999 -0.226 1.00 0.00 O ATOM 0 H SER A 52 21.863 13.243 1.898 1.00 0.00 H new ATOM 0 HA SER A 52 24.768 12.910 1.638 1.00 0.00 H new ATOM 0 HB2 SER A 52 24.289 14.522 -0.407 1.00 0.00 H new ATOM 0 HB3 SER A 52 23.949 12.813 -0.599 1.00 0.00 H new ATOM 0 HG SER A 52 22.044 14.743 0.358 1.00 0.00 H new ATOM 856 N SER A 53 24.810 14.900 3.139 1.00 0.00 N ATOM 857 CA SER A 53 25.011 16.177 3.829 1.00 0.00 C ATOM 858 C SER A 53 26.141 16.930 3.193 1.00 0.00 C ATOM 859 O SER A 53 26.498 16.653 2.050 1.00 0.00 O ATOM 860 CB SER A 53 25.335 15.930 5.311 1.00 0.00 C ATOM 861 OG SER A 53 26.695 16.015 5.608 1.00 0.00 O ATOM 0 H SER A 53 25.304 14.100 3.534 1.00 0.00 H new ATOM 0 HA SER A 53 24.095 16.764 3.752 1.00 0.00 H new ATOM 0 HB2 SER A 53 24.793 16.655 5.918 1.00 0.00 H new ATOM 0 HB3 SER A 53 24.971 14.942 5.594 1.00 0.00 H new ATOM 0 HG SER A 53 26.826 15.917 6.574 1.00 0.00 H new ATOM 867 N ASN A 54 26.686 17.858 3.934 1.00 0.00 N ATOM 868 CA ASN A 54 27.810 18.606 3.373 1.00 0.00 C ATOM 869 C ASN A 54 29.082 17.819 3.638 1.00 0.00 C ATOM 870 O ASN A 54 30.140 18.455 3.776 1.00 0.00 O ATOM 871 CB ASN A 54 27.968 19.941 4.139 1.00 0.00 C ATOM 872 CG ASN A 54 28.535 21.059 3.325 1.00 0.00 C ATOM 873 OD1 ASN A 54 29.765 21.251 3.326 1.00 0.00 O ATOM 874 ND2 ASN A 54 27.719 21.851 2.599 1.00 0.00 N ATOM 0 H ASN A 54 26.400 18.115 4.879 1.00 0.00 H new ATOM 0 HA ASN A 54 27.638 18.774 2.310 1.00 0.00 H new ATOM 0 HB2 ASN A 54 26.993 20.244 4.520 1.00 0.00 H new ATOM 0 HB3 ASN A 54 28.611 19.775 5.004 1.00 0.00 H new ATOM 0 HD21 ASN A 54 28.109 22.614 2.045 1.00 0.00 H new ATOM 0 HD22 ASN A 54 26.712 21.687 2.604 1.00 0.00 H new ATOM 881 N PHE A 55 29.062 16.520 3.718 1.00 0.00 N ATOM 882 CA PHE A 55 30.307 15.798 3.971 1.00 0.00 C ATOM 883 C PHE A 55 30.391 14.551 3.166 1.00 0.00 C ATOM 884 O PHE A 55 31.382 14.395 2.483 1.00 0.00 O ATOM 885 CB PHE A 55 30.423 15.269 5.387 1.00 0.00 C ATOM 886 CG PHE A 55 29.781 16.125 6.422 1.00 0.00 C ATOM 887 CD1 PHE A 55 30.098 17.475 6.561 1.00 0.00 C ATOM 888 CD2 PHE A 55 28.839 15.580 7.278 1.00 0.00 C ATOM 889 CE1 PHE A 55 29.494 18.279 7.527 1.00 0.00 C ATOM 890 CE2 PHE A 55 28.221 16.352 8.252 1.00 0.00 C ATOM 891 CZ PHE A 55 28.555 17.693 8.364 1.00 0.00 C ATOM 0 H PHE A 55 28.230 15.939 3.617 1.00 0.00 H new ATOM 0 HA PHE A 55 31.073 16.537 3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 55 29.976 14.276 5.428 1.00 0.00 H new ATOM 0 HB3 PHE A 55 31.479 15.154 5.633 1.00 0.00 H new ATOM 0 HD1 PHE A 55 30.833 17.911 5.901 1.00 0.00 H new ATOM 0 HD2 PHE A 55 28.580 14.535 7.186 1.00 0.00 H new ATOM 0 HE1 PHE A 55 29.749 19.324 7.621 1.00 0.00 H new ATOM 0 HE2 PHE A 55 27.489 15.914 8.914 1.00 0.00 H new ATOM 0 HZ PHE A 55 28.073 18.295 9.120 1.00 0.00 H new ATOM 901 N ARG A 56 29.356 13.738 3.289 1.00 0.00 N ATOM 902 CA ARG A 56 29.353 12.505 2.545 1.00 0.00 C ATOM 903 C ARG A 56 28.055 12.290 1.841 1.00 0.00 C ATOM 904 O ARG A 56 27.031 11.939 2.406 1.00 0.00 O ATOM 905 CB ARG A 56 29.556 11.320 3.493 1.00 0.00 C ATOM 906 CG ARG A 56 30.723 10.425 3.101 1.00 0.00 C ATOM 907 CD ARG A 56 32.063 11.137 3.086 1.00 0.00 C ATOM 908 NE ARG A 56 32.599 11.304 4.435 1.00 0.00 N ATOM 909 CZ ARG A 56 33.863 11.685 4.647 1.00 0.00 C ATOM 910 NH1 ARG A 56 34.720 11.939 3.689 1.00 0.00 N ATOM 911 NH2 ARG A 56 34.257 11.808 5.904 1.00 0.00 N ATOM 0 H ARG A 56 28.538 13.905 3.876 1.00 0.00 H new ATOM 0 HA ARG A 56 30.160 12.573 1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 56 29.720 11.696 4.503 1.00 0.00 H new ATOM 0 HB3 ARG A 56 28.644 10.724 3.519 1.00 0.00 H new ATOM 0 HG2 ARG A 56 30.775 9.587 3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 56 30.533 10.008 2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 56 32.770 10.570 2.481 1.00 0.00 H new ATOM 0 HD3 ARG A 56 31.951 12.114 2.615 1.00 0.00 H new ATOM 0 HE ARG A 56 31.993 11.125 5.236 1.00 0.00 H new ATOM 0 HH11 ARG A 56 34.436 11.850 2.713 1.00 0.00 H new ATOM 0 HH12 ARG A 56 35.671 12.226 3.919 1.00 0.00 H new ATOM 0 HH21 ARG A 56 33.605 11.615 6.664 1.00 0.00 H new ATOM 0 HH22 ARG A 56 35.213 12.096 6.113 1.00 0.00 H new ATOM 925 N ASN A 57 28.161 12.526 0.551 1.00 0.00 N ATOM 926 CA ASN A 57 27.058 12.393 -0.347 1.00 0.00 C ATOM 927 C ASN A 57 26.939 10.901 -0.613 1.00 0.00 C ATOM 928 O ASN A 57 27.851 10.289 -1.179 1.00 0.00 O ATOM 929 CB ASN A 57 27.243 13.243 -1.621 1.00 0.00 C ATOM 930 CG ASN A 57 26.853 12.436 -2.832 1.00 0.00 C ATOM 931 OD1 ASN A 57 25.600 12.041 -2.951 1.00 0.00 O flip ATOM 932 ND2 ASN A 57 27.675 12.129 -3.726 1.00 0.00 N flip ATOM 0 H ASN A 57 29.029 12.818 0.102 1.00 0.00 H new ATOM 0 HA ASN A 57 26.130 12.778 0.077 1.00 0.00 H new ATOM 0 HB2 ASN A 57 26.632 14.144 -1.560 1.00 0.00 H new ATOM 0 HB3 ASN A 57 28.280 13.566 -1.706 1.00 0.00 H new ATOM 0 HD21 ASN A 57 28.647 12.427 -3.649 1.00 0.00 H new ATOM 0 HD22 ASN A 57 27.372 11.581 -4.531 1.00 0.00 H new ATOM 939 N ILE A 58 25.821 10.324 -0.210 1.00 0.00 N ATOM 940 CA ILE A 58 25.582 8.943 -0.396 1.00 0.00 C ATOM 941 C ILE A 58 24.070 8.682 -0.316 1.00 0.00 C ATOM 942 O ILE A 58 23.298 9.599 -0.031 1.00 0.00 O ATOM 943 CB ILE A 58 26.164 8.151 0.754 1.00 0.00 C ATOM 944 CG1 ILE A 58 26.852 6.880 0.289 1.00 0.00 C ATOM 945 CG2 ILE A 58 25.140 7.894 1.851 1.00 0.00 C ATOM 946 CD1 ILE A 58 28.331 6.985 0.623 1.00 0.00 C ATOM 0 H ILE A 58 25.062 10.821 0.256 1.00 0.00 H new ATOM 0 HA ILE A 58 26.018 8.656 -1.353 1.00 0.00 H new ATOM 0 HB ILE A 58 26.941 8.772 1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 58 26.413 6.011 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 58 26.714 6.745 -0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 58 25.604 7.322 2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 58 24.780 8.845 2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 58 24.302 7.330 1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 58 28.843 6.080 0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 58 28.759 7.848 0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 58 28.453 7.102 1.700 1.00 0.00 H new ATOM 958 N ASP A 59 23.795 7.429 -0.580 1.00 0.00 N ATOM 959 CA ASP A 59 22.396 7.007 -0.543 1.00 0.00 C ATOM 960 C ASP A 59 22.392 5.746 0.247 1.00 0.00 C ATOM 961 O ASP A 59 23.459 5.291 0.673 1.00 0.00 O ATOM 962 CB ASP A 59 21.853 6.714 -1.962 1.00 0.00 C ATOM 963 CG ASP A 59 20.628 7.466 -2.418 1.00 0.00 C ATOM 964 OD1 ASP A 59 19.512 7.164 -2.069 1.00 0.00 O ATOM 965 OD2 ASP A 59 20.925 8.454 -3.210 1.00 0.00 O ATOM 0 H ASP A 59 24.475 6.706 -0.813 1.00 0.00 H new ATOM 0 HA ASP A 59 21.767 7.787 -0.114 1.00 0.00 H new ATOM 0 HB2 ASP A 59 22.653 6.915 -2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.633 5.648 -2.022 1.00 0.00 H new ATOM 970 N VAL A 60 21.259 5.140 0.482 1.00 0.00 N ATOM 971 CA VAL A 60 21.200 3.951 1.248 1.00 0.00 C ATOM 972 C VAL A 60 20.584 2.829 0.414 1.00 0.00 C ATOM 973 O VAL A 60 21.325 2.263 -0.381 1.00 0.00 O ATOM 974 CB VAL A 60 20.489 4.156 2.599 1.00 0.00 C ATOM 975 CG1 VAL A 60 20.584 2.911 3.426 1.00 0.00 C ATOM 976 CG2 VAL A 60 21.303 5.222 3.336 1.00 0.00 C ATOM 0 H VAL A 60 20.355 5.468 0.141 1.00 0.00 H new ATOM 0 HA VAL A 60 22.217 3.656 1.507 1.00 0.00 H new ATOM 0 HB VAL A 60 19.443 4.421 2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 60 20.078 3.068 4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 60 20.111 2.085 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 60 21.632 2.673 3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 60 20.851 5.417 4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 60 22.325 4.868 3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 60 21.314 6.141 2.750 1.00 0.00 H new ATOM 986 N VAL A 61 19.347 2.615 0.709 1.00 0.00 N ATOM 987 CA VAL A 61 18.629 1.515 0.029 1.00 0.00 C ATOM 988 C VAL A 61 18.989 0.266 0.787 1.00 0.00 C ATOM 989 O VAL A 61 19.735 -0.565 0.285 1.00 0.00 O ATOM 990 CB VAL A 61 18.999 1.427 -1.428 1.00 0.00 C ATOM 991 CG1 VAL A 61 17.887 0.729 -2.233 1.00 0.00 C ATOM 992 CG2 VAL A 61 19.227 2.786 -2.100 1.00 0.00 C ATOM 0 H VAL A 61 18.801 3.148 1.386 1.00 0.00 H new ATOM 0 HA VAL A 61 17.551 1.676 0.034 1.00 0.00 H new ATOM 0 HB VAL A 61 19.934 0.866 -1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 61 18.176 0.677 -3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 61 17.737 -0.279 -1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 61 16.960 1.295 -2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.489 2.635 -3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 61 18.316 3.381 -2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 61 20.038 3.310 -1.595 1.00 0.00 H new ATOM 1002 N PHE A 62 18.456 0.190 2.000 1.00 0.00 N ATOM 1003 CA PHE A 62 18.814 -0.949 2.812 1.00 0.00 C ATOM 1004 C PHE A 62 17.886 -2.121 2.742 1.00 0.00 C ATOM 1005 O PHE A 62 17.881 -2.848 1.725 1.00 0.00 O ATOM 1006 CB PHE A 62 19.176 -0.576 4.279 1.00 0.00 C ATOM 1007 CG PHE A 62 18.317 0.441 4.987 1.00 0.00 C ATOM 1008 CD1 PHE A 62 17.040 0.633 4.557 1.00 0.00 C ATOM 1009 CD2 PHE A 62 18.756 1.209 6.075 1.00 0.00 C ATOM 1010 CE1 PHE A 62 16.178 1.543 5.157 1.00 0.00 C ATOM 1011 CE2 PHE A 62 17.940 2.140 6.712 1.00 0.00 C ATOM 1012 CZ PHE A 62 16.630 2.305 6.245 1.00 0.00 C ATOM 0 H PHE A 62 17.813 0.862 2.418 1.00 0.00 H new ATOM 0 HA PHE A 62 19.727 -1.302 2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 62 19.162 -1.492 4.869 1.00 0.00 H new ATOM 0 HB3 PHE A 62 20.202 -0.208 4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 62 16.683 0.056 3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 62 19.766 1.073 6.433 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.170 1.663 4.789 1.00 0.00 H new ATOM 0 HE2 PHE A 62 18.308 2.720 7.545 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.970 3.016 6.720 1.00 0.00 H new ATOM 1022 N GLU A 63 17.094 -2.372 3.763 1.00 0.00 N ATOM 1023 CA GLU A 63 16.152 -3.481 3.846 1.00 0.00 C ATOM 1024 C GLU A 63 15.534 -3.338 5.237 1.00 0.00 C ATOM 1025 O GLU A 63 15.439 -4.311 5.994 1.00 0.00 O ATOM 1026 CB GLU A 63 16.777 -4.870 3.642 1.00 0.00 C ATOM 1027 CG GLU A 63 15.766 -5.768 2.864 1.00 0.00 C ATOM 1028 CD GLU A 63 16.049 -7.235 2.955 1.00 0.00 C ATOM 1029 OE1 GLU A 63 16.276 -7.751 4.031 1.00 0.00 O ATOM 1030 OE2 GLU A 63 16.013 -7.817 1.796 1.00 0.00 O ATOM 0 H GLU A 63 17.085 -1.786 4.598 1.00 0.00 H new ATOM 0 HA GLU A 63 15.423 -3.426 3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 63 17.711 -4.785 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 63 17.018 -5.320 4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.762 -5.579 3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.769 -5.474 1.815 1.00 0.00 H new ATOM 1037 N LEU A 64 15.127 -2.088 5.554 1.00 0.00 N ATOM 1038 CA LEU A 64 14.534 -1.719 6.811 1.00 0.00 C ATOM 1039 C LEU A 64 15.680 -1.610 7.847 1.00 0.00 C ATOM 1040 O LEU A 64 16.455 -0.654 7.679 1.00 0.00 O ATOM 1041 CB LEU A 64 13.407 -2.609 7.337 1.00 0.00 C ATOM 1042 CG LEU A 64 11.976 -2.182 6.890 1.00 0.00 C ATOM 1043 CD1 LEU A 64 10.925 -3.157 7.450 1.00 0.00 C ATOM 1044 CD2 LEU A 64 11.597 -0.805 7.404 1.00 0.00 C ATOM 0 H LEU A 64 15.215 -1.303 4.908 1.00 0.00 H new ATOM 0 HA LEU A 64 14.022 -0.772 6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.586 -3.632 7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.446 -2.615 8.426 1.00 0.00 H new ATOM 0 HG LEU A 64 11.992 -2.182 5.800 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.931 -2.845 7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.127 -4.162 7.079 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.971 -3.156 8.539 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.592 -0.554 7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.624 -0.803 8.494 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.303 -0.067 7.023 1.00 0.00 H new ATOM 1056 N GLY A 65 15.746 -2.509 8.804 1.00 0.00 N ATOM 1057 CA GLY A 65 16.842 -2.378 9.786 1.00 0.00 C ATOM 1058 C GLY A 65 18.056 -3.200 9.427 1.00 0.00 C ATOM 1059 O GLY A 65 18.985 -2.608 8.851 1.00 0.00 O ATOM 0 H GLY A 65 15.109 -3.295 8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.130 -1.330 9.863 1.00 0.00 H new ATOM 0 HA3 GLY A 65 16.481 -2.683 10.768 1.00 0.00 H new ATOM 1063 N VAL A 66 18.158 -4.498 9.697 1.00 0.00 N ATOM 1064 CA VAL A 66 19.358 -5.267 9.328 1.00 0.00 C ATOM 1065 C VAL A 66 20.559 -4.845 10.157 1.00 0.00 C ATOM 1066 O VAL A 66 20.800 -3.692 10.464 1.00 0.00 O ATOM 1067 CB VAL A 66 19.574 -5.153 7.825 1.00 0.00 C ATOM 1068 CG1 VAL A 66 20.903 -4.486 7.503 1.00 0.00 C ATOM 1069 CG2 VAL A 66 19.470 -6.508 7.130 1.00 0.00 C ATOM 0 H VAL A 66 17.434 -5.042 10.166 1.00 0.00 H new ATOM 0 HA VAL A 66 19.216 -6.323 9.558 1.00 0.00 H new ATOM 0 HB VAL A 66 18.774 -4.521 7.439 1.00 0.00 H new ATOM 0 HG11 VAL A 66 21.025 -4.421 6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 66 20.920 -3.484 7.931 1.00 0.00 H new ATOM 0 HG13 VAL A 66 21.717 -5.075 7.925 1.00 0.00 H new ATOM 0 HG21 VAL A 66 19.630 -6.381 6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 66 20.226 -7.182 7.533 1.00 0.00 H new ATOM 0 HG23 VAL A 66 18.479 -6.930 7.301 1.00 0.00 H new ATOM 1079 N ASP A 67 21.404 -5.789 10.575 1.00 0.00 N ATOM 1080 CA ASP A 67 22.550 -5.369 11.370 1.00 0.00 C ATOM 1081 C ASP A 67 23.655 -4.738 10.606 1.00 0.00 C ATOM 1082 O ASP A 67 24.082 -5.275 9.574 1.00 0.00 O ATOM 1083 CB ASP A 67 22.918 -6.421 12.450 1.00 0.00 C ATOM 1084 CG ASP A 67 22.582 -7.827 12.064 1.00 0.00 C ATOM 1085 OD1 ASP A 67 21.312 -8.068 12.222 1.00 0.00 O ATOM 1086 OD2 ASP A 67 23.376 -8.645 11.656 1.00 0.00 O ATOM 0 H ASP A 67 21.325 -6.789 10.390 1.00 0.00 H new ATOM 0 HA ASP A 67 22.238 -4.503 11.954 1.00 0.00 H new ATOM 0 HB2 ASP A 67 23.986 -6.357 12.657 1.00 0.00 H new ATOM 0 HB3 ASP A 67 22.398 -6.174 13.376 1.00 0.00 H new ATOM 1091 N PHE A 68 24.116 -3.596 11.115 1.00 0.00 N ATOM 1092 CA PHE A 68 25.203 -2.894 10.443 1.00 0.00 C ATOM 1093 C PHE A 68 26.460 -2.809 11.291 1.00 0.00 C ATOM 1094 O PHE A 68 27.350 -3.628 11.097 1.00 0.00 O ATOM 1095 CB PHE A 68 24.804 -1.477 9.927 1.00 0.00 C ATOM 1096 CG PHE A 68 23.816 -1.448 8.799 1.00 0.00 C ATOM 1097 CD1 PHE A 68 23.808 -2.487 7.830 1.00 0.00 C ATOM 1098 CD2 PHE A 68 22.897 -0.413 8.677 1.00 0.00 C ATOM 1099 CE1 PHE A 68 22.873 -2.423 6.797 1.00 0.00 C ATOM 1100 CE2 PHE A 68 21.972 -0.344 7.655 1.00 0.00 C ATOM 1101 CZ PHE A 68 21.975 -1.373 6.711 1.00 0.00 C ATOM 0 H PHE A 68 23.766 -3.150 11.963 1.00 0.00 H new ATOM 0 HA PHE A 68 25.423 -3.507 9.569 1.00 0.00 H new ATOM 0 HB2 PHE A 68 24.391 -0.910 10.761 1.00 0.00 H new ATOM 0 HB3 PHE A 68 25.708 -0.960 9.606 1.00 0.00 H new ATOM 0 HD1 PHE A 68 24.509 -3.306 7.892 1.00 0.00 H new ATOM 0 HD2 PHE A 68 22.907 0.374 9.416 1.00 0.00 H new ATOM 0 HE1 PHE A 68 22.849 -3.205 6.052 1.00 0.00 H new ATOM 0 HE2 PHE A 68 21.272 0.475 7.588 1.00 0.00 H new ATOM 0 HZ PHE A 68 21.264 -1.349 5.899 1.00 0.00 H new ATOM 1111 N ALA A 69 26.449 -1.823 12.173 1.00 0.00 N ATOM 1112 CA ALA A 69 27.486 -1.487 13.109 1.00 0.00 C ATOM 1113 C ALA A 69 28.440 -0.438 12.517 1.00 0.00 C ATOM 1114 O ALA A 69 29.656 -0.465 12.635 1.00 0.00 O ATOM 1115 CB ALA A 69 28.337 -2.662 13.514 1.00 0.00 C ATOM 0 H ALA A 69 25.650 -1.194 12.251 1.00 0.00 H new ATOM 0 HA ALA A 69 26.957 -1.110 13.984 1.00 0.00 H new ATOM 0 HB1 ALA A 69 29.098 -2.333 14.222 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.710 -3.421 13.982 1.00 0.00 H new ATOM 0 HB3 ALA A 69 28.819 -3.083 12.632 1.00 0.00 H new ATOM 1121 N TYR A 70 27.830 0.522 11.852 1.00 0.00 N ATOM 1122 CA TYR A 70 28.565 1.604 11.224 1.00 0.00 C ATOM 1123 C TYR A 70 28.106 2.862 11.920 1.00 0.00 C ATOM 1124 O TYR A 70 26.911 2.974 12.131 1.00 0.00 O ATOM 1125 CB TYR A 70 28.233 1.676 9.728 1.00 0.00 C ATOM 1126 CG TYR A 70 27.283 2.819 9.352 1.00 0.00 C ATOM 1127 CD1 TYR A 70 25.903 2.780 9.506 1.00 0.00 C ATOM 1128 CD2 TYR A 70 27.859 3.965 8.821 1.00 0.00 C ATOM 1129 CE1 TYR A 70 25.060 3.827 9.159 1.00 0.00 C ATOM 1130 CE2 TYR A 70 27.045 5.050 8.458 1.00 0.00 C ATOM 1131 CZ TYR A 70 25.653 4.983 8.626 1.00 0.00 C ATOM 1132 OH TYR A 70 24.884 6.045 8.268 1.00 0.00 O ATOM 0 H TYR A 70 26.819 0.576 11.731 1.00 0.00 H new ATOM 0 HA TYR A 70 29.642 1.463 11.309 1.00 0.00 H new ATOM 0 HB2 TYR A 70 29.160 1.789 9.166 1.00 0.00 H new ATOM 0 HB3 TYR A 70 27.787 0.731 9.420 1.00 0.00 H new ATOM 0 HD1 TYR A 70 25.461 1.885 9.919 1.00 0.00 H new ATOM 0 HD2 TYR A 70 28.929 4.022 8.688 1.00 0.00 H new ATOM 0 HE1 TYR A 70 23.991 3.755 9.294 1.00 0.00 H new ATOM 0 HE2 TYR A 70 27.493 5.942 8.047 1.00 0.00 H new ATOM 0 HH TYR A 70 25.456 6.760 7.919 1.00 0.00 H new ATOM 1142 N SER A 71 29.014 3.764 12.273 1.00 0.00 N ATOM 1143 CA SER A 71 28.657 4.967 12.957 1.00 0.00 C ATOM 1144 C SER A 71 27.470 5.694 12.373 1.00 0.00 C ATOM 1145 O SER A 71 27.422 5.925 11.170 1.00 0.00 O ATOM 1146 CB SER A 71 29.768 6.002 13.077 1.00 0.00 C ATOM 1147 OG SER A 71 29.729 6.972 12.080 1.00 0.00 O ATOM 0 H SER A 71 30.012 3.668 12.086 1.00 0.00 H new ATOM 0 HA SER A 71 28.416 4.567 13.942 1.00 0.00 H new ATOM 0 HB2 SER A 71 29.698 6.488 14.050 1.00 0.00 H new ATOM 0 HB3 SER A 71 30.732 5.495 13.043 1.00 0.00 H new ATOM 0 HG SER A 71 30.387 6.755 11.387 1.00 0.00 H new ATOM 1153 N LEU A 72 26.567 6.008 13.264 1.00 0.00 N ATOM 1154 CA LEU A 72 25.335 6.678 13.033 1.00 0.00 C ATOM 1155 C LEU A 72 25.572 7.804 12.007 1.00 0.00 C ATOM 1156 O LEU A 72 24.744 8.043 11.101 1.00 0.00 O ATOM 1157 CB LEU A 72 24.832 7.243 14.349 1.00 0.00 C ATOM 1158 CG LEU A 72 23.879 8.420 14.166 1.00 0.00 C ATOM 1159 CD1 LEU A 72 24.612 9.753 13.951 1.00 0.00 C ATOM 1160 CD2 LEU A 72 22.828 8.164 13.105 1.00 0.00 C ATOM 0 H LEU A 72 26.695 5.778 14.249 1.00 0.00 H new ATOM 0 HA LEU A 72 24.586 5.992 12.637 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.325 6.455 14.906 1.00 0.00 H new ATOM 0 HB3 LEU A 72 25.683 7.562 14.950 1.00 0.00 H new ATOM 0 HG LEU A 72 23.344 8.516 15.111 1.00 0.00 H new ATOM 0 HD11 LEU A 72 23.883 10.553 13.827 1.00 0.00 H new ATOM 0 HD12 LEU A 72 25.241 9.966 14.815 1.00 0.00 H new ATOM 0 HD13 LEU A 72 25.233 9.687 13.058 1.00 0.00 H new ATOM 0 HD21 LEU A 72 22.179 9.035 13.019 1.00 0.00 H new ATOM 0 HD22 LEU A 72 23.315 7.978 12.148 1.00 0.00 H new ATOM 0 HD23 LEU A 72 22.233 7.294 13.384 1.00 0.00 H new ATOM 1172 N ALA A 73 26.727 8.494 12.159 1.00 0.00 N ATOM 1173 CA ALA A 73 27.028 9.567 11.230 1.00 0.00 C ATOM 1174 C ALA A 73 28.472 9.934 11.089 1.00 0.00 C ATOM 1175 O ALA A 73 28.768 10.696 10.151 1.00 0.00 O ATOM 1176 CB ALA A 73 26.150 10.828 11.420 1.00 0.00 C ATOM 0 H ALA A 73 27.425 8.327 12.884 1.00 0.00 H new ATOM 0 HA ALA A 73 26.757 9.111 10.278 1.00 0.00 H new ATOM 0 HB1 ALA A 73 26.436 11.584 10.689 1.00 0.00 H new ATOM 0 HB2 ALA A 73 25.101 10.566 11.280 1.00 0.00 H new ATOM 0 HB3 ALA A 73 26.294 11.223 12.426 1.00 0.00 H new ATOM 1182 N ASP A 74 29.369 9.444 11.949 1.00 0.00 N ATOM 1183 CA ASP A 74 30.770 9.775 11.835 1.00 0.00 C ATOM 1184 C ASP A 74 31.798 8.921 12.519 1.00 0.00 C ATOM 1185 O ASP A 74 32.641 8.343 11.817 1.00 0.00 O ATOM 1186 CB ASP A 74 31.134 11.209 12.129 1.00 0.00 C ATOM 1187 CG ASP A 74 30.550 11.713 13.439 1.00 0.00 C ATOM 1188 OD1 ASP A 74 29.270 11.646 13.584 1.00 0.00 O ATOM 1189 OD2 ASP A 74 31.267 12.200 14.395 1.00 0.00 O ATOM 0 H ASP A 74 29.140 8.821 12.724 1.00 0.00 H new ATOM 0 HA ASP A 74 30.834 9.552 10.770 1.00 0.00 H new ATOM 0 HB2 ASP A 74 32.219 11.303 12.161 1.00 0.00 H new ATOM 0 HB3 ASP A 74 30.783 11.842 11.314 1.00 0.00 H new ATOM 1194 N GLY A 75 31.813 8.801 13.856 1.00 0.00 N ATOM 1195 CA GLY A 75 32.850 8.007 14.495 1.00 0.00 C ATOM 1196 C GLY A 75 32.435 6.794 15.345 1.00 0.00 C ATOM 1197 O GLY A 75 33.240 5.857 15.429 1.00 0.00 O ATOM 0 H GLY A 75 31.139 9.231 14.489 1.00 0.00 H new ATOM 0 HA2 GLY A 75 33.520 7.649 13.714 1.00 0.00 H new ATOM 0 HA3 GLY A 75 33.431 8.674 15.132 1.00 0.00 H new ATOM 1201 N THR A 76 31.301 6.716 15.972 1.00 0.00 N ATOM 1202 CA THR A 76 31.032 5.533 16.765 1.00 0.00 C ATOM 1203 C THR A 76 30.425 4.377 16.010 1.00 0.00 C ATOM 1204 O THR A 76 31.182 3.673 15.329 1.00 0.00 O ATOM 1205 CB THR A 76 30.171 5.844 18.022 1.00 0.00 C ATOM 1206 OG1 THR A 76 30.985 6.696 18.762 1.00 0.00 O ATOM 1207 CG2 THR A 76 29.979 4.588 18.846 1.00 0.00 C ATOM 0 H THR A 76 30.565 7.422 15.960 1.00 0.00 H new ATOM 0 HA THR A 76 32.026 5.211 17.074 1.00 0.00 H new ATOM 0 HB THR A 76 29.192 6.247 17.763 1.00 0.00 H new ATOM 0 HG1 THR A 76 30.523 6.955 19.587 1.00 0.00 H new ATOM 0 HG21 THR A 76 29.375 4.817 19.724 1.00 0.00 H new ATOM 0 HG22 THR A 76 29.473 3.832 18.245 1.00 0.00 H new ATOM 0 HG23 THR A 76 30.950 4.209 19.163 1.00 0.00 H new ATOM 1215 N GLU A 77 29.119 4.126 16.100 1.00 0.00 N ATOM 1216 CA GLU A 77 28.583 2.947 15.367 1.00 0.00 C ATOM 1217 C GLU A 77 27.082 2.796 15.434 1.00 0.00 C ATOM 1218 O GLU A 77 26.382 3.680 15.880 1.00 0.00 O ATOM 1219 CB GLU A 77 29.125 1.690 16.100 1.00 0.00 C ATOM 1220 CG GLU A 77 30.265 0.965 15.386 1.00 0.00 C ATOM 1221 CD GLU A 77 31.542 0.853 16.171 1.00 0.00 C ATOM 1222 OE1 GLU A 77 31.677 1.715 17.128 1.00 0.00 O ATOM 1223 OE2 GLU A 77 32.341 -0.007 15.870 1.00 0.00 O ATOM 0 H GLU A 77 28.441 4.672 16.631 1.00 0.00 H new ATOM 0 HA GLU A 77 28.877 3.068 14.324 1.00 0.00 H new ATOM 0 HB2 GLU A 77 29.468 1.986 17.091 1.00 0.00 H new ATOM 0 HB3 GLU A 77 28.303 0.989 16.243 1.00 0.00 H new ATOM 0 HG2 GLU A 77 29.929 -0.038 15.124 1.00 0.00 H new ATOM 0 HG3 GLU A 77 30.476 1.485 14.451 1.00 0.00 H new ATOM 1230 N LEU A 78 26.500 1.669 15.010 1.00 0.00 N ATOM 1231 CA LEU A 78 25.055 1.464 15.079 1.00 0.00 C ATOM 1232 C LEU A 78 24.794 0.104 14.402 1.00 0.00 C ATOM 1233 O LEU A 78 24.530 -0.055 13.206 1.00 0.00 O ATOM 1234 CB LEU A 78 24.356 2.540 14.221 1.00 0.00 C ATOM 1235 CG LEU A 78 23.591 3.650 14.970 1.00 0.00 C ATOM 1236 CD1 LEU A 78 22.643 4.407 14.022 1.00 0.00 C ATOM 1237 CD2 LEU A 78 22.675 2.976 15.953 1.00 0.00 C ATOM 0 H LEU A 78 27.014 0.882 14.614 1.00 0.00 H new ATOM 0 HA LEU A 78 24.693 1.508 16.106 1.00 0.00 H new ATOM 0 HB2 LEU A 78 25.110 3.014 13.593 1.00 0.00 H new ATOM 0 HB3 LEU A 78 23.655 2.038 13.554 1.00 0.00 H new ATOM 0 HG LEU A 78 24.320 4.326 15.417 1.00 0.00 H new ATOM 0 HD11 LEU A 78 22.117 5.184 14.577 1.00 0.00 H new ATOM 0 HD12 LEU A 78 23.221 4.864 13.218 1.00 0.00 H new ATOM 0 HD13 LEU A 78 21.919 3.710 13.598 1.00 0.00 H new ATOM 0 HD21 LEU A 78 22.114 3.731 16.504 1.00 0.00 H new ATOM 0 HD22 LEU A 78 21.981 2.327 15.418 1.00 0.00 H new ATOM 0 HD23 LEU A 78 23.264 2.380 16.650 1.00 0.00 H new ATOM 1249 N THR A 79 24.883 -0.905 15.219 1.00 0.00 N ATOM 1250 CA THR A 79 24.679 -2.310 14.829 1.00 0.00 C ATOM 1251 C THR A 79 23.212 -2.621 15.093 1.00 0.00 C ATOM 1252 O THR A 79 22.842 -3.711 15.533 1.00 0.00 O ATOM 1253 CB THR A 79 25.570 -3.339 15.583 1.00 0.00 C ATOM 1254 OG1 THR A 79 25.512 -4.531 14.861 1.00 0.00 O ATOM 1255 CG2 THR A 79 25.247 -3.508 17.063 1.00 0.00 C ATOM 0 H THR A 79 25.105 -0.792 16.208 1.00 0.00 H new ATOM 0 HA THR A 79 24.965 -2.411 13.782 1.00 0.00 H new ATOM 0 HB THR A 79 26.592 -2.963 15.622 1.00 0.00 H new ATOM 0 HG1 THR A 79 24.587 -4.855 14.838 1.00 0.00 H new ATOM 0 HG21 THR A 79 25.920 -4.245 17.501 1.00 0.00 H new ATOM 0 HG22 THR A 79 25.372 -2.553 17.574 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.217 -3.847 17.174 1.00 0.00 H new ATOM 1263 N GLY A 80 22.342 -1.676 14.832 1.00 0.00 N ATOM 1264 CA GLY A 80 20.941 -1.888 15.053 1.00 0.00 C ATOM 1265 C GLY A 80 20.205 -2.119 13.724 1.00 0.00 C ATOM 1266 O GLY A 80 20.862 -2.251 12.711 1.00 0.00 O ATOM 0 H GLY A 80 22.584 -0.755 14.467 1.00 0.00 H new ATOM 0 HA2 GLY A 80 20.798 -2.748 15.707 1.00 0.00 H new ATOM 0 HA3 GLY A 80 20.515 -1.025 15.564 1.00 0.00 H new ATOM 1270 N THR A 81 18.908 -2.140 13.878 1.00 0.00 N ATOM 1271 CA THR A 81 17.989 -2.350 12.751 1.00 0.00 C ATOM 1272 C THR A 81 16.867 -1.351 12.703 1.00 0.00 C ATOM 1273 O THR A 81 15.746 -1.397 13.149 1.00 0.00 O ATOM 1274 CB THR A 81 17.350 -3.739 12.976 1.00 0.00 C ATOM 1275 OG1 THR A 81 15.980 -3.823 12.645 1.00 0.00 O ATOM 1276 CG2 THR A 81 17.625 -4.213 14.414 1.00 0.00 C ATOM 0 H THR A 81 18.443 -2.014 14.777 1.00 0.00 H new ATOM 0 HA THR A 81 18.552 -2.254 11.823 1.00 0.00 H new ATOM 0 HB THR A 81 17.832 -4.416 12.270 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.476 -3.165 13.168 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.172 -5.193 14.567 1.00 0.00 H new ATOM 0 HG22 THR A 81 18.701 -4.281 14.575 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.197 -3.501 15.120 1.00 0.00 H new ATOM 1284 N TRP A 82 17.261 -0.268 12.056 1.00 0.00 N ATOM 1285 CA TRP A 82 16.420 0.878 11.862 1.00 0.00 C ATOM 1286 C TRP A 82 15.222 0.436 10.976 1.00 0.00 C ATOM 1287 O TRP A 82 15.243 0.597 9.724 1.00 0.00 O ATOM 1288 CB TRP A 82 16.996 2.068 11.097 1.00 0.00 C ATOM 1289 CG TRP A 82 18.328 2.610 11.475 1.00 0.00 C ATOM 1290 CD1 TRP A 82 19.401 1.991 11.991 1.00 0.00 C ATOM 1291 CD2 TRP A 82 18.699 3.984 11.331 1.00 0.00 C ATOM 1292 NE1 TRP A 82 20.395 2.915 12.169 1.00 0.00 N ATOM 1293 CE2 TRP A 82 20.020 4.169 11.778 1.00 0.00 C ATOM 1294 CE3 TRP A 82 18.055 5.135 10.859 1.00 0.00 C ATOM 1295 CZ2 TRP A 82 20.639 5.411 11.755 1.00 0.00 C ATOM 1296 CZ3 TRP A 82 18.640 6.366 10.822 1.00 0.00 C ATOM 1297 CH2 TRP A 82 19.957 6.496 11.282 1.00 0.00 C ATOM 0 H TRP A 82 18.191 -0.168 11.648 1.00 0.00 H new ATOM 0 HA TRP A 82 16.211 1.209 12.879 1.00 0.00 H new ATOM 0 HB2 TRP A 82 17.045 1.786 10.045 1.00 0.00 H new ATOM 0 HB3 TRP A 82 16.278 2.884 11.175 1.00 0.00 H new ATOM 0 HD1 TRP A 82 19.469 0.939 12.227 1.00 0.00 H new ATOM 0 HE1 TRP A 82 21.314 2.692 12.551 1.00 0.00 H new ATOM 0 HE3 TRP A 82 17.039 5.042 10.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 21.654 5.519 12.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 18.100 7.222 10.446 1.00 0.00 H new ATOM 0 HH2 TRP A 82 20.437 7.463 11.262 1.00 0.00 H new ATOM 1308 N THR A 83 14.173 -0.099 11.558 1.00 0.00 N ATOM 1309 CA THR A 83 12.996 -0.494 10.761 1.00 0.00 C ATOM 1310 C THR A 83 12.067 0.715 10.903 1.00 0.00 C ATOM 1311 O THR A 83 12.432 1.746 11.457 1.00 0.00 O ATOM 1312 CB THR A 83 12.185 -1.691 11.252 1.00 0.00 C ATOM 1313 OG1 THR A 83 11.916 -1.517 12.621 1.00 0.00 O ATOM 1314 CG2 THR A 83 12.943 -3.026 11.054 1.00 0.00 C ATOM 0 H THR A 83 14.094 -0.275 12.560 1.00 0.00 H new ATOM 0 HA THR A 83 13.349 -0.778 9.770 1.00 0.00 H new ATOM 0 HB THR A 83 11.265 -1.741 10.670 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.394 -2.278 12.951 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.329 -3.850 11.417 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.155 -3.170 9.995 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.880 -2.999 11.611 1.00 0.00 H new ATOM 1322 N MET A 84 10.855 0.648 10.432 1.00 0.00 N ATOM 1323 CA MET A 84 9.951 1.793 10.611 1.00 0.00 C ATOM 1324 C MET A 84 8.696 1.131 11.177 1.00 0.00 C ATOM 1325 O MET A 84 8.866 0.218 11.981 1.00 0.00 O ATOM 1326 CB MET A 84 9.622 2.363 9.238 1.00 0.00 C ATOM 1327 CG MET A 84 9.011 1.353 8.258 1.00 0.00 C ATOM 1328 SD MET A 84 7.859 2.012 7.033 1.00 0.00 S ATOM 1329 CE MET A 84 7.706 0.590 5.954 1.00 0.00 C ATOM 0 H MET A 84 10.461 -0.150 9.934 1.00 0.00 H new ATOM 0 HA MET A 84 10.354 2.592 11.234 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.929 3.195 9.361 1.00 0.00 H new ATOM 0 HB3 MET A 84 10.533 2.769 8.800 1.00 0.00 H new ATOM 0 HG2 MET A 84 9.824 0.857 7.729 1.00 0.00 H new ATOM 0 HG3 MET A 84 8.493 0.588 8.836 1.00 0.00 H new ATOM 0 HE1 MET A 84 7.863 0.899 4.921 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.452 -0.156 6.227 1.00 0.00 H new ATOM 0 HE3 MET A 84 6.709 0.161 6.057 1.00 0.00 H new ATOM 1339 N GLU A 85 7.507 1.551 10.797 1.00 0.00 N ATOM 1340 CA GLU A 85 6.319 0.895 11.361 1.00 0.00 C ATOM 1341 C GLU A 85 5.210 1.091 10.401 1.00 0.00 C ATOM 1342 O GLU A 85 5.477 1.128 9.202 1.00 0.00 O ATOM 1343 CB GLU A 85 6.041 1.515 12.741 1.00 0.00 C ATOM 1344 CG GLU A 85 5.501 0.474 13.714 1.00 0.00 C ATOM 1345 CD GLU A 85 4.213 0.747 14.439 1.00 0.00 C ATOM 1346 OE1 GLU A 85 3.489 1.692 14.190 1.00 0.00 O ATOM 1347 OE2 GLU A 85 3.981 -0.160 15.362 1.00 0.00 O ATOM 0 H GLU A 85 7.328 2.305 10.134 1.00 0.00 H new ATOM 0 HA GLU A 85 6.452 -0.177 11.509 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.959 1.948 13.140 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.323 2.329 12.639 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.376 -0.457 13.162 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.270 0.298 14.466 1.00 0.00 H new ATOM 1354 N GLY A 86 4.001 1.211 10.894 1.00 0.00 N ATOM 1355 CA GLY A 86 2.879 1.400 10.009 1.00 0.00 C ATOM 1356 C GLY A 86 3.120 2.718 9.358 1.00 0.00 C ATOM 1357 O GLY A 86 2.739 2.870 8.203 1.00 0.00 O ATOM 0 H GLY A 86 3.771 1.182 11.887 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.819 0.600 9.271 1.00 0.00 H new ATOM 0 HA3 GLY A 86 1.938 1.397 10.559 1.00 0.00 H new ATOM 1361 N ASN A 87 3.739 3.655 10.081 1.00 0.00 N ATOM 1362 CA ASN A 87 3.949 4.892 9.429 1.00 0.00 C ATOM 1363 C ASN A 87 5.106 5.753 9.954 1.00 0.00 C ATOM 1364 O ASN A 87 5.185 6.883 9.546 1.00 0.00 O ATOM 1365 CB ASN A 87 2.715 5.698 9.023 1.00 0.00 C ATOM 1366 CG ASN A 87 2.439 6.609 10.202 1.00 0.00 C ATOM 1367 OD1 ASN A 87 2.569 7.849 10.102 1.00 0.00 O ATOM 1368 ND2 ASN A 87 2.052 6.073 11.338 1.00 0.00 N ATOM 0 H ASN A 87 4.071 3.571 11.042 1.00 0.00 H new ATOM 0 HA ASN A 87 4.308 4.512 8.472 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.899 6.272 8.115 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.866 5.045 8.821 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.856 6.669 12.143 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.947 5.061 11.415 1.00 0.00 H new ATOM 1375 N LYS A 88 5.908 5.165 10.806 1.00 0.00 N ATOM 1376 CA LYS A 88 7.016 5.852 11.375 1.00 0.00 C ATOM 1377 C LYS A 88 8.226 4.905 11.342 1.00 0.00 C ATOM 1378 O LYS A 88 8.030 3.791 11.748 1.00 0.00 O ATOM 1379 CB LYS A 88 6.947 6.092 12.872 1.00 0.00 C ATOM 1380 CG LYS A 88 6.096 5.224 13.733 1.00 0.00 C ATOM 1381 CD LYS A 88 5.120 6.143 14.450 1.00 0.00 C ATOM 1382 CE LYS A 88 5.040 5.930 15.950 1.00 0.00 C ATOM 1383 NZ LYS A 88 3.831 5.273 16.425 1.00 0.00 N ATOM 0 H LYS A 88 5.803 4.199 11.117 1.00 0.00 H new ATOM 0 HA LYS A 88 7.053 6.786 10.814 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.965 6.029 13.256 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.613 7.119 13.019 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.563 4.486 13.133 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.705 4.672 14.449 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.406 7.177 14.258 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.127 6.002 14.022 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.901 5.339 16.262 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.124 6.899 16.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.873 5.174 17.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 3.001 5.843 16.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.754 4.331 15.990 1.00 0.00 H new ATOM 1397 N LEU A 89 9.318 5.468 10.877 1.00 0.00 N ATOM 1398 CA LEU A 89 10.578 4.776 10.815 1.00 0.00 C ATOM 1399 C LEU A 89 10.892 4.429 12.286 1.00 0.00 C ATOM 1400 O LEU A 89 10.071 4.539 13.181 1.00 0.00 O ATOM 1401 CB LEU A 89 11.673 5.752 10.284 1.00 0.00 C ATOM 1402 CG LEU A 89 12.528 5.290 9.103 1.00 0.00 C ATOM 1403 CD1 LEU A 89 13.501 6.434 8.788 1.00 0.00 C ATOM 1404 CD2 LEU A 89 13.418 4.114 9.432 1.00 0.00 C ATOM 0 H LEU A 89 9.353 6.426 10.529 1.00 0.00 H new ATOM 0 HA LEU A 89 10.549 3.902 10.165 1.00 0.00 H new ATOM 0 HB2 LEU A 89 11.182 6.682 9.998 1.00 0.00 H new ATOM 0 HB3 LEU A 89 12.343 5.986 11.111 1.00 0.00 H new ATOM 0 HG LEU A 89 11.847 5.014 8.298 1.00 0.00 H new ATOM 0 HD11 LEU A 89 14.136 6.151 7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.937 7.331 8.531 1.00 0.00 H new ATOM 0 HD13 LEU A 89 14.122 6.634 9.661 1.00 0.00 H new ATOM 0 HD21 LEU A 89 13.997 3.838 8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 89 14.096 4.386 10.241 1.00 0.00 H new ATOM 0 HD23 LEU A 89 12.804 3.269 9.742 1.00 0.00 H new ATOM 1416 N VAL A 90 12.127 4.020 12.502 1.00 0.00 N ATOM 1417 CA VAL A 90 12.778 3.683 13.726 1.00 0.00 C ATOM 1418 C VAL A 90 14.289 3.718 13.394 1.00 0.00 C ATOM 1419 O VAL A 90 14.667 2.881 12.587 1.00 0.00 O ATOM 1420 CB VAL A 90 12.445 2.264 14.230 1.00 0.00 C ATOM 1421 CG1 VAL A 90 12.594 2.236 15.748 1.00 0.00 C ATOM 1422 CG2 VAL A 90 11.007 1.875 13.998 1.00 0.00 C ATOM 0 H VAL A 90 12.766 3.907 11.715 1.00 0.00 H new ATOM 0 HA VAL A 90 12.460 4.375 14.506 1.00 0.00 H new ATOM 0 HB VAL A 90 13.114 1.592 13.693 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.361 1.238 16.118 1.00 0.00 H new ATOM 0 HG12 VAL A 90 13.618 2.493 16.018 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.909 2.957 16.194 1.00 0.00 H new ATOM 0 HG21 VAL A 90 10.838 0.866 14.375 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.353 2.572 14.521 1.00 0.00 H new ATOM 0 HG23 VAL A 90 10.790 1.905 12.930 1.00 0.00 H new ATOM 1432 N GLY A 91 15.077 4.624 13.944 1.00 0.00 N ATOM 1433 CA GLY A 91 16.464 4.639 13.592 1.00 0.00 C ATOM 1434 C GLY A 91 17.248 3.562 14.357 1.00 0.00 C ATOM 1435 O GLY A 91 18.428 3.396 14.099 1.00 0.00 O ATOM 0 H GLY A 91 14.783 5.334 14.615 1.00 0.00 H new ATOM 0 HA2 GLY A 91 16.571 4.476 12.520 1.00 0.00 H new ATOM 0 HA3 GLY A 91 16.885 5.621 13.809 1.00 0.00 H new ATOM 1439 N LYS A 92 16.501 2.936 15.210 1.00 0.00 N ATOM 1440 CA LYS A 92 16.934 1.842 16.048 1.00 0.00 C ATOM 1441 C LYS A 92 18.320 2.023 16.558 1.00 0.00 C ATOM 1442 O LYS A 92 18.716 3.176 16.666 1.00 0.00 O ATOM 1443 CB LYS A 92 16.688 0.494 15.412 1.00 0.00 C ATOM 1444 CG LYS A 92 15.216 0.147 15.671 1.00 0.00 C ATOM 1445 CD LYS A 92 15.128 -0.290 17.131 1.00 0.00 C ATOM 1446 CE LYS A 92 14.298 -1.510 17.331 1.00 0.00 C ATOM 1447 NZ LYS A 92 13.227 -1.652 16.350 1.00 0.00 N ATOM 0 H LYS A 92 15.521 3.180 15.355 1.00 0.00 H new ATOM 0 HA LYS A 92 16.302 1.860 16.936 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.896 0.527 14.342 1.00 0.00 H new ATOM 0 HB3 LYS A 92 17.345 -0.262 15.841 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.575 1.008 15.484 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.882 -0.649 15.006 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.133 -0.477 17.508 1.00 0.00 H new ATOM 0 HD3 LYS A 92 14.712 0.525 17.723 1.00 0.00 H new ATOM 0 HE2 LYS A 92 14.941 -2.389 17.285 1.00 0.00 H new ATOM 0 HE3 LYS A 92 13.864 -1.485 18.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.468 -2.242 16.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.847 -0.713 16.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.601 -2.102 15.490 1.00 0.00 H new ATOM 1461 N PHE A 93 19.017 0.943 16.924 1.00 0.00 N ATOM 1462 CA PHE A 93 20.314 1.095 17.524 1.00 0.00 C ATOM 1463 C PHE A 93 20.969 -0.204 18.014 1.00 0.00 C ATOM 1464 O PHE A 93 20.596 -1.339 17.717 1.00 0.00 O ATOM 1465 CB PHE A 93 19.956 1.731 18.911 1.00 0.00 C ATOM 1466 CG PHE A 93 18.636 1.256 19.432 1.00 0.00 C ATOM 1467 CD1 PHE A 93 18.581 -0.130 19.702 1.00 0.00 C ATOM 1468 CD2 PHE A 93 17.498 1.959 19.697 1.00 0.00 C ATOM 1469 CE1 PHE A 93 17.463 -0.745 20.201 1.00 0.00 C ATOM 1470 CE2 PHE A 93 16.351 1.343 20.241 1.00 0.00 C ATOM 1471 CZ PHE A 93 16.315 -0.015 20.489 1.00 0.00 C ATOM 0 H PHE A 93 18.700 -0.020 16.812 1.00 0.00 H new ATOM 0 HA PHE A 93 20.960 1.596 16.803 1.00 0.00 H new ATOM 0 HB2 PHE A 93 20.737 1.488 19.632 1.00 0.00 H new ATOM 0 HB3 PHE A 93 19.937 2.817 18.816 1.00 0.00 H new ATOM 0 HD1 PHE A 93 19.458 -0.730 19.507 1.00 0.00 H new ATOM 0 HD2 PHE A 93 17.474 3.018 19.484 1.00 0.00 H new ATOM 0 HE1 PHE A 93 17.473 -1.811 20.373 1.00 0.00 H new ATOM 0 HE2 PHE A 93 15.484 1.946 20.468 1.00 0.00 H new ATOM 0 HZ PHE A 93 15.432 -0.490 20.890 1.00 0.00 H new ATOM 1481 N LYS A 94 21.930 0.172 18.822 1.00 0.00 N ATOM 1482 CA LYS A 94 22.852 -0.550 19.680 1.00 0.00 C ATOM 1483 C LYS A 94 24.200 -0.275 19.076 1.00 0.00 C ATOM 1484 O LYS A 94 24.757 -1.188 18.520 1.00 0.00 O ATOM 1485 CB LYS A 94 22.625 -2.011 19.807 1.00 0.00 C ATOM 1486 CG LYS A 94 21.588 -1.940 20.923 1.00 0.00 C ATOM 1487 CD LYS A 94 20.916 -3.181 21.395 1.00 0.00 C ATOM 1488 CE LYS A 94 20.279 -3.139 22.763 1.00 0.00 C ATOM 1489 NZ LYS A 94 19.568 -1.877 23.000 1.00 0.00 N ATOM 0 H LYS A 94 22.116 1.171 18.908 1.00 0.00 H new ATOM 0 HA LYS A 94 22.729 -0.206 20.707 1.00 0.00 H new ATOM 0 HB2 LYS A 94 22.243 -2.468 18.894 1.00 0.00 H new ATOM 0 HB3 LYS A 94 23.522 -2.563 20.088 1.00 0.00 H new ATOM 0 HG2 LYS A 94 22.072 -1.485 21.787 1.00 0.00 H new ATOM 0 HG3 LYS A 94 20.807 -1.253 20.597 1.00 0.00 H new ATOM 0 HD2 LYS A 94 20.145 -3.445 20.671 1.00 0.00 H new ATOM 0 HD3 LYS A 94 21.650 -3.987 21.388 1.00 0.00 H new ATOM 0 HE2 LYS A 94 19.583 -3.972 22.865 1.00 0.00 H new ATOM 0 HE3 LYS A 94 21.047 -3.271 23.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 18.955 -1.975 23.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 20.257 -1.116 23.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 18.987 -1.644 22.169 1.00 0.00 H new ATOM 1503 N ARG A 95 24.554 0.973 19.233 1.00 0.00 N ATOM 1504 CA ARG A 95 25.754 1.559 18.724 1.00 0.00 C ATOM 1505 C ARG A 95 26.781 0.432 18.491 1.00 0.00 C ATOM 1506 O ARG A 95 26.841 0.030 17.364 1.00 0.00 O ATOM 1507 CB ARG A 95 26.362 2.582 19.693 1.00 0.00 C ATOM 1508 CG ARG A 95 25.334 3.533 20.318 1.00 0.00 C ATOM 1509 CD ARG A 95 24.377 3.985 19.256 1.00 0.00 C ATOM 1510 NE ARG A 95 24.924 4.545 18.026 1.00 0.00 N ATOM 1511 CZ ARG A 95 25.925 5.416 17.885 1.00 0.00 C ATOM 1512 NH1 ARG A 95 26.664 5.886 18.875 1.00 0.00 N ATOM 1513 NH2 ARG A 95 26.257 5.900 16.669 1.00 0.00 N ATOM 0 H ARG A 95 23.978 1.639 19.748 1.00 0.00 H new ATOM 0 HA ARG A 95 25.508 2.083 17.800 1.00 0.00 H new ATOM 0 HB2 ARG A 95 26.881 2.049 20.490 1.00 0.00 H new ATOM 0 HB3 ARG A 95 27.111 3.170 19.162 1.00 0.00 H new ATOM 0 HG2 ARG A 95 24.795 3.030 21.121 1.00 0.00 H new ATOM 0 HG3 ARG A 95 25.837 4.392 20.762 1.00 0.00 H new ATOM 0 HD2 ARG A 95 23.754 3.133 18.985 1.00 0.00 H new ATOM 0 HD3 ARG A 95 23.719 4.733 19.698 1.00 0.00 H new ATOM 0 HE ARG A 95 24.484 4.230 17.161 1.00 0.00 H new ATOM 0 HH11 ARG A 95 26.486 5.583 19.833 1.00 0.00 H new ATOM 0 HH12 ARG A 95 27.413 6.551 18.681 1.00 0.00 H new ATOM 0 HH21 ARG A 95 25.740 5.600 15.842 1.00 0.00 H new ATOM 0 HH22 ARG A 95 27.025 6.565 16.577 1.00 0.00 H new ATOM 1527 N VAL A 96 27.416 0.048 19.520 1.00 0.00 N ATOM 1528 CA VAL A 96 28.497 -0.913 19.559 1.00 0.00 C ATOM 1529 C VAL A 96 29.465 -0.391 20.650 1.00 0.00 C ATOM 1530 O VAL A 96 30.104 -1.177 21.321 1.00 0.00 O ATOM 1531 CB VAL A 96 29.239 -0.882 18.263 1.00 0.00 C ATOM 1532 CG1 VAL A 96 30.764 -0.901 18.537 1.00 0.00 C ATOM 1533 CG2 VAL A 96 28.791 -1.955 17.282 1.00 0.00 C ATOM 0 H VAL A 96 27.195 0.412 20.447 1.00 0.00 H new ATOM 0 HA VAL A 96 28.128 -1.921 19.747 1.00 0.00 H new ATOM 0 HB VAL A 96 28.995 0.052 17.757 1.00 0.00 H new ATOM 0 HG11 VAL A 96 31.304 -0.878 17.590 1.00 0.00 H new ATOM 0 HG12 VAL A 96 31.038 -0.030 19.132 1.00 0.00 H new ATOM 0 HG13 VAL A 96 31.025 -1.808 19.082 1.00 0.00 H new ATOM 0 HG21 VAL A 96 29.372 -1.873 16.363 1.00 0.00 H new ATOM 0 HG22 VAL A 96 28.947 -2.939 17.723 1.00 0.00 H new ATOM 0 HG23 VAL A 96 27.733 -1.822 17.055 1.00 0.00 H new ATOM 1543 N ASP A 97 29.469 0.946 20.759 1.00 0.00 N ATOM 1544 CA ASP A 97 30.338 1.510 21.853 1.00 0.00 C ATOM 1545 C ASP A 97 29.928 0.870 23.178 1.00 0.00 C ATOM 1546 O ASP A 97 30.686 0.725 24.157 1.00 0.00 O ATOM 1547 CB ASP A 97 30.309 3.022 22.003 1.00 0.00 C ATOM 1548 CG ASP A 97 31.154 3.525 23.182 1.00 0.00 C ATOM 1549 OD1 ASP A 97 32.357 3.333 23.313 1.00 0.00 O ATOM 1550 OD2 ASP A 97 30.423 4.177 24.019 1.00 0.00 O ATOM 0 H ASP A 97 28.951 1.611 20.185 1.00 0.00 H new ATOM 0 HA ASP A 97 31.363 1.271 21.568 1.00 0.00 H new ATOM 0 HB2 ASP A 97 30.671 3.480 21.082 1.00 0.00 H new ATOM 0 HB3 ASP A 97 29.278 3.348 22.137 1.00 0.00 H new ATOM 1555 N ASN A 98 28.656 0.471 23.156 1.00 0.00 N ATOM 1556 CA ASN A 98 27.949 -0.173 24.224 1.00 0.00 C ATOM 1557 C ASN A 98 26.537 -0.642 24.014 1.00 0.00 C ATOM 1558 O ASN A 98 26.136 -1.667 24.536 1.00 0.00 O ATOM 1559 CB ASN A 98 28.010 0.804 25.456 1.00 0.00 C ATOM 1560 CG ASN A 98 27.140 0.467 26.649 1.00 0.00 C ATOM 1561 OD1 ASN A 98 26.214 1.247 27.001 1.00 0.00 O ATOM 1562 ND2 ASN A 98 27.451 -0.662 27.232 1.00 0.00 N ATOM 0 H ASN A 98 28.070 0.605 22.332 1.00 0.00 H new ATOM 0 HA ASN A 98 28.462 -1.126 24.352 1.00 0.00 H new ATOM 0 HB2 ASN A 98 29.044 0.855 25.796 1.00 0.00 H new ATOM 0 HB3 ASN A 98 27.738 1.801 25.110 1.00 0.00 H new ATOM 0 HD21 ASN A 98 26.924 -0.978 28.046 1.00 0.00 H new ATOM 0 HD22 ASN A 98 28.220 -1.227 26.872 1.00 0.00 H new ATOM 1569 N GLY A 99 25.816 0.178 23.227 1.00 0.00 N ATOM 1570 CA GLY A 99 24.444 0.013 22.861 1.00 0.00 C ATOM 1571 C GLY A 99 23.529 1.130 23.435 1.00 0.00 C ATOM 1572 O GLY A 99 23.225 1.177 24.640 1.00 0.00 O ATOM 0 H GLY A 99 26.225 1.018 22.817 1.00 0.00 H new ATOM 0 HA2 GLY A 99 24.361 0.005 21.774 1.00 0.00 H new ATOM 0 HA3 GLY A 99 24.092 -0.956 23.215 1.00 0.00 H new ATOM 1576 N LYS A 100 23.116 2.006 22.513 1.00 0.00 N ATOM 1577 CA LYS A 100 22.246 3.127 22.822 1.00 0.00 C ATOM 1578 C LYS A 100 20.862 2.895 22.190 1.00 0.00 C ATOM 1579 O LYS A 100 20.651 1.788 21.769 1.00 0.00 O ATOM 1580 CB LYS A 100 22.754 4.435 22.232 1.00 0.00 C ATOM 1581 CG LYS A 100 23.210 5.368 23.320 1.00 0.00 C ATOM 1582 CD LYS A 100 24.606 4.866 23.705 1.00 0.00 C ATOM 1583 CE LYS A 100 25.718 5.866 23.891 1.00 0.00 C ATOM 1584 NZ LYS A 100 27.073 5.318 23.669 1.00 0.00 N ATOM 0 H LYS A 100 23.381 1.950 21.530 1.00 0.00 H new ATOM 0 HA LYS A 100 22.210 3.195 23.909 1.00 0.00 H new ATOM 0 HB2 LYS A 100 23.579 4.235 21.548 1.00 0.00 H new ATOM 0 HB3 LYS A 100 21.964 4.908 21.648 1.00 0.00 H new ATOM 0 HG2 LYS A 100 23.243 6.399 22.969 1.00 0.00 H new ATOM 0 HG3 LYS A 100 22.531 5.343 24.173 1.00 0.00 H new ATOM 0 HD2 LYS A 100 24.509 4.306 24.635 1.00 0.00 H new ATOM 0 HD3 LYS A 100 24.924 4.159 22.939 1.00 0.00 H new ATOM 0 HE2 LYS A 100 25.559 6.699 23.207 1.00 0.00 H new ATOM 0 HE3 LYS A 100 25.663 6.269 24.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 27.680 6.052 23.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 27.476 5.010 24.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 27.017 4.506 23.022 1.00 0.00 H new ATOM 1598 N GLU A 101 20.081 3.959 22.162 1.00 0.00 N ATOM 1599 CA GLU A 101 18.803 3.782 21.457 1.00 0.00 C ATOM 1600 C GLU A 101 18.393 5.036 20.645 1.00 0.00 C ATOM 1601 O GLU A 101 17.338 5.537 20.885 1.00 0.00 O ATOM 1602 CB GLU A 101 17.680 3.105 22.200 1.00 0.00 C ATOM 1603 CG GLU A 101 17.862 1.606 22.564 1.00 0.00 C ATOM 1604 CD GLU A 101 16.798 1.004 23.453 1.00 0.00 C ATOM 1605 OE1 GLU A 101 16.593 1.832 24.458 1.00 0.00 O ATOM 1606 OE2 GLU A 101 16.207 -0.059 23.323 1.00 0.00 O ATOM 0 H GLU A 101 20.269 4.874 22.571 1.00 0.00 H new ATOM 0 HA GLU A 101 19.031 3.003 20.730 1.00 0.00 H new ATOM 0 HB2 GLU A 101 17.507 3.657 23.124 1.00 0.00 H new ATOM 0 HB3 GLU A 101 16.775 3.198 21.599 1.00 0.00 H new ATOM 0 HG2 GLU A 101 17.902 1.031 21.639 1.00 0.00 H new ATOM 0 HG3 GLU A 101 18.828 1.487 23.056 1.00 0.00 H new ATOM 1613 N LEU A 102 19.337 5.326 19.781 1.00 0.00 N ATOM 1614 CA LEU A 102 19.293 6.425 18.841 1.00 0.00 C ATOM 1615 C LEU A 102 17.807 6.417 18.465 1.00 0.00 C ATOM 1616 O LEU A 102 17.179 7.336 18.896 1.00 0.00 O ATOM 1617 CB LEU A 102 20.049 6.023 17.537 1.00 0.00 C ATOM 1618 CG LEU A 102 21.458 6.576 17.616 1.00 0.00 C ATOM 1619 CD1 LEU A 102 22.553 5.660 17.130 1.00 0.00 C ATOM 1620 CD2 LEU A 102 21.408 7.815 16.729 1.00 0.00 C ATOM 0 H LEU A 102 20.195 4.779 19.710 1.00 0.00 H new ATOM 0 HA LEU A 102 19.706 7.354 19.233 1.00 0.00 H new ATOM 0 HB2 LEU A 102 20.072 4.939 17.430 1.00 0.00 H new ATOM 0 HB3 LEU A 102 19.534 6.419 16.662 1.00 0.00 H new ATOM 0 HG LEU A 102 21.716 6.750 18.661 1.00 0.00 H new ATOM 0 HD11 LEU A 102 23.517 6.159 17.233 1.00 0.00 H new ATOM 0 HD12 LEU A 102 22.552 4.745 17.723 1.00 0.00 H new ATOM 0 HD13 LEU A 102 22.382 5.413 16.082 1.00 0.00 H new ATOM 0 HD21 LEU A 102 22.387 8.294 16.717 1.00 0.00 H new ATOM 0 HD22 LEU A 102 21.134 7.525 15.715 1.00 0.00 H new ATOM 0 HD23 LEU A 102 20.667 8.513 17.120 1.00 0.00 H new ATOM 1632 N ILE A 103 17.468 5.372 17.770 1.00 0.00 N ATOM 1633 CA ILE A 103 16.052 5.162 17.407 1.00 0.00 C ATOM 1634 C ILE A 103 15.698 6.175 16.341 1.00 0.00 C ATOM 1635 O ILE A 103 14.525 6.398 16.126 1.00 0.00 O ATOM 1636 CB ILE A 103 15.260 5.339 18.684 1.00 0.00 C ATOM 1637 CG1 ILE A 103 15.067 3.990 19.356 1.00 0.00 C ATOM 1638 CG2 ILE A 103 13.879 5.949 18.546 1.00 0.00 C ATOM 1639 CD1 ILE A 103 14.716 2.808 18.455 1.00 0.00 C ATOM 0 H ILE A 103 18.114 4.656 17.439 1.00 0.00 H new ATOM 0 HA ILE A 103 15.838 4.175 16.998 1.00 0.00 H new ATOM 0 HB ILE A 103 15.861 6.043 19.260 1.00 0.00 H new ATOM 0 HG12 ILE A 103 15.983 3.745 19.893 1.00 0.00 H new ATOM 0 HG13 ILE A 103 14.278 4.093 20.101 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.414 6.023 19.529 1.00 0.00 H new ATOM 0 HG22 ILE A 103 13.963 6.944 18.108 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.266 5.319 17.901 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.607 1.909 19.061 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.780 3.012 17.936 1.00 0.00 H new ATOM 0 HD13 ILE A 103 15.511 2.659 17.724 1.00 0.00 H new ATOM 1651 N ALA A 104 16.650 6.765 15.654 1.00 0.00 N ATOM 1652 CA ALA A 104 16.491 7.746 14.615 1.00 0.00 C ATOM 1653 C ALA A 104 15.321 7.395 13.722 1.00 0.00 C ATOM 1654 O ALA A 104 15.438 6.982 12.579 1.00 0.00 O ATOM 1655 CB ALA A 104 17.770 7.928 13.775 1.00 0.00 C ATOM 0 H ALA A 104 17.633 6.551 15.825 1.00 0.00 H new ATOM 0 HA ALA A 104 16.291 8.697 15.108 1.00 0.00 H new ATOM 0 HB1 ALA A 104 17.596 8.680 13.005 1.00 0.00 H new ATOM 0 HB2 ALA A 104 18.586 8.252 14.421 1.00 0.00 H new ATOM 0 HB3 ALA A 104 18.034 6.981 13.304 1.00 0.00 H new ATOM 1661 N VAL A 105 14.143 7.601 14.296 1.00 0.00 N ATOM 1662 CA VAL A 105 12.953 7.320 13.526 1.00 0.00 C ATOM 1663 C VAL A 105 12.635 8.662 12.853 1.00 0.00 C ATOM 1664 O VAL A 105 12.751 9.655 13.532 1.00 0.00 O ATOM 1665 CB VAL A 105 11.742 6.809 14.285 1.00 0.00 C ATOM 1666 CG1 VAL A 105 11.828 6.756 15.794 1.00 0.00 C ATOM 1667 CG2 VAL A 105 10.432 7.511 13.871 1.00 0.00 C ATOM 0 H VAL A 105 13.993 7.944 15.245 1.00 0.00 H new ATOM 0 HA VAL A 105 13.159 6.489 12.851 1.00 0.00 H new ATOM 0 HB VAL A 105 11.734 5.766 13.969 1.00 0.00 H new ATOM 0 HG11 VAL A 105 10.892 6.371 16.199 1.00 0.00 H new ATOM 0 HG12 VAL A 105 12.647 6.100 16.089 1.00 0.00 H new ATOM 0 HG13 VAL A 105 12.007 7.758 16.184 1.00 0.00 H new ATOM 0 HG21 VAL A 105 9.602 7.103 14.448 1.00 0.00 H new ATOM 0 HG22 VAL A 105 10.516 8.581 14.063 1.00 0.00 H new ATOM 0 HG23 VAL A 105 10.251 7.346 12.809 1.00 0.00 H new ATOM 1677 N ARG A 106 12.248 8.738 11.608 1.00 0.00 N ATOM 1678 CA ARG A 106 11.894 9.928 10.874 1.00 0.00 C ATOM 1679 C ARG A 106 10.405 10.084 11.176 1.00 0.00 C ATOM 1680 O ARG A 106 10.001 11.220 11.179 1.00 0.00 O ATOM 1681 CB ARG A 106 12.076 9.698 9.413 1.00 0.00 C ATOM 1682 CG ARG A 106 12.765 10.935 8.861 1.00 0.00 C ATOM 1683 CD ARG A 106 14.193 10.684 8.481 1.00 0.00 C ATOM 1684 NE ARG A 106 15.037 10.749 9.674 1.00 0.00 N ATOM 1685 CZ ARG A 106 16.123 9.984 9.806 1.00 0.00 C ATOM 1686 NH1 ARG A 106 16.564 9.118 8.935 1.00 0.00 N ATOM 1687 NH2 ARG A 106 16.774 10.169 10.960 1.00 0.00 N ATOM 0 H ARG A 106 12.165 7.901 11.032 1.00 0.00 H new ATOM 0 HA ARG A 106 12.495 10.796 11.145 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.677 8.807 9.233 1.00 0.00 H new ATOM 0 HB3 ARG A 106 11.115 9.539 8.923 1.00 0.00 H new ATOM 0 HG2 ARG A 106 12.218 11.290 7.987 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.726 11.730 9.606 1.00 0.00 H new ATOM 0 HD2 ARG A 106 14.288 9.706 8.009 1.00 0.00 H new ATOM 0 HD3 ARG A 106 14.521 11.424 7.751 1.00 0.00 H new ATOM 0 HE ARG A 106 14.790 11.395 10.424 1.00 0.00 H new ATOM 0 HH11 ARG A 106 16.065 8.979 8.057 1.00 0.00 H new ATOM 0 HH12 ARG A 106 17.408 8.581 9.133 1.00 0.00 H new ATOM 0 HH21 ARG A 106 16.426 10.846 11.639 1.00 0.00 H new ATOM 0 HH22 ARG A 106 17.618 9.633 11.161 1.00 0.00 H new ATOM 1701 N GLU A 107 9.808 8.951 11.432 1.00 0.00 N ATOM 1702 CA GLU A 107 8.431 8.828 11.842 1.00 0.00 C ATOM 1703 C GLU A 107 7.484 9.472 10.804 1.00 0.00 C ATOM 1704 O GLU A 107 6.683 8.773 10.223 1.00 0.00 O ATOM 1705 CB GLU A 107 8.345 9.785 13.074 1.00 0.00 C ATOM 1706 CG GLU A 107 8.037 9.033 14.379 1.00 0.00 C ATOM 1707 CD GLU A 107 6.845 9.422 15.277 1.00 0.00 C ATOM 1708 OE1 GLU A 107 6.219 10.474 14.821 1.00 0.00 O ATOM 1709 OE2 GLU A 107 6.536 8.819 16.283 1.00 0.00 O ATOM 0 H GLU A 107 10.284 8.052 11.358 1.00 0.00 H new ATOM 0 HA GLU A 107 8.162 7.783 11.999 1.00 0.00 H new ATOM 0 HB2 GLU A 107 9.288 10.321 13.181 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.571 10.532 12.897 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.904 7.984 14.115 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.932 9.095 14.998 1.00 0.00 H new ATOM 1716 N ILE A 108 7.669 10.778 10.732 1.00 0.00 N ATOM 1717 CA ILE A 108 6.923 11.723 9.899 1.00 0.00 C ATOM 1718 C ILE A 108 5.553 11.951 10.482 1.00 0.00 C ATOM 1719 O ILE A 108 4.925 11.052 11.052 1.00 0.00 O ATOM 1720 CB ILE A 108 6.888 11.113 8.513 1.00 0.00 C ATOM 1721 CG1 ILE A 108 6.686 12.306 7.589 1.00 0.00 C ATOM 1722 CG2 ILE A 108 5.767 10.140 8.239 1.00 0.00 C ATOM 1723 CD1 ILE A 108 6.913 11.970 6.143 1.00 0.00 C ATOM 0 H ILE A 108 8.388 11.243 11.286 1.00 0.00 H new ATOM 0 HA ILE A 108 7.388 12.708 9.854 1.00 0.00 H new ATOM 0 HB ILE A 108 7.801 10.533 8.377 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.673 12.688 7.713 1.00 0.00 H new ATOM 0 HG13 ILE A 108 7.366 13.106 7.882 1.00 0.00 H new ATOM 0 HG21 ILE A 108 5.847 9.771 7.216 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.834 9.302 8.933 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.809 10.643 8.369 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.754 12.860 5.534 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.935 11.615 6.008 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.215 11.191 5.837 1.00 0.00 H new ATOM 1735 N SER A 109 5.097 13.182 10.365 1.00 0.00 N ATOM 1736 CA SER A 109 3.780 13.493 10.934 1.00 0.00 C ATOM 1737 C SER A 109 3.317 14.741 10.288 1.00 0.00 C ATOM 1738 O SER A 109 3.692 15.865 10.573 1.00 0.00 O ATOM 1739 CB SER A 109 3.881 13.592 12.435 1.00 0.00 C ATOM 1740 OG SER A 109 3.019 14.572 12.954 1.00 0.00 O ATOM 0 H SER A 109 5.581 13.955 9.908 1.00 0.00 H new ATOM 0 HA SER A 109 3.048 12.709 10.741 1.00 0.00 H new ATOM 0 HB2 SER A 109 3.642 12.626 12.880 1.00 0.00 H new ATOM 0 HB3 SER A 109 4.908 13.826 12.715 1.00 0.00 H new ATOM 0 HG SER A 109 3.111 14.606 13.929 1.00 0.00 H new ATOM 1746 N GLY A 110 2.410 14.504 9.333 1.00 0.00 N ATOM 1747 CA GLY A 110 1.783 15.512 8.545 1.00 0.00 C ATOM 1748 C GLY A 110 2.899 16.204 7.764 1.00 0.00 C ATOM 1749 O GLY A 110 3.268 15.800 6.661 1.00 0.00 O ATOM 0 H GLY A 110 2.097 13.562 9.098 1.00 0.00 H new ATOM 0 HA2 GLY A 110 1.048 15.075 7.868 1.00 0.00 H new ATOM 0 HA3 GLY A 110 1.251 16.224 9.176 1.00 0.00 H new ATOM 1753 N ASN A 111 3.400 17.244 8.391 1.00 0.00 N ATOM 1754 CA ASN A 111 4.457 18.042 7.852 1.00 0.00 C ATOM 1755 C ASN A 111 5.721 17.869 8.738 1.00 0.00 C ATOM 1756 O ASN A 111 6.185 18.812 9.354 1.00 0.00 O ATOM 1757 CB ASN A 111 4.191 19.539 7.688 1.00 0.00 C ATOM 1758 CG ASN A 111 3.400 20.152 8.839 1.00 0.00 C ATOM 1759 OD1 ASN A 111 2.554 19.481 9.440 1.00 0.00 O ATOM 1760 ND2 ASN A 111 3.658 21.404 9.159 1.00 0.00 N ATOM 0 H ASN A 111 3.073 17.557 9.305 1.00 0.00 H new ATOM 0 HA ASN A 111 4.577 17.668 6.835 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.144 20.060 7.596 1.00 0.00 H new ATOM 0 HB3 ASN A 111 3.647 19.702 6.758 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.152 21.849 9.925 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.363 21.928 8.641 1.00 0.00 H new ATOM 1767 N GLU A 112 6.221 16.652 8.762 1.00 0.00 N ATOM 1768 CA GLU A 112 7.387 16.397 9.553 1.00 0.00 C ATOM 1769 C GLU A 112 8.271 15.304 8.891 1.00 0.00 C ATOM 1770 O GLU A 112 8.030 14.968 7.761 1.00 0.00 O ATOM 1771 CB GLU A 112 6.968 15.793 10.940 1.00 0.00 C ATOM 1772 CG GLU A 112 7.193 16.740 12.133 1.00 0.00 C ATOM 1773 CD GLU A 112 6.599 18.126 12.101 1.00 0.00 C ATOM 1774 OE1 GLU A 112 5.444 18.352 12.392 1.00 0.00 O ATOM 1775 OE2 GLU A 112 7.449 19.044 11.724 1.00 0.00 O ATOM 0 H GLU A 112 5.846 15.850 8.256 1.00 0.00 H new ATOM 0 HA GLU A 112 7.919 17.343 9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 112 5.914 15.519 10.901 1.00 0.00 H new ATOM 0 HB3 GLU A 112 7.530 14.874 11.108 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.811 16.241 13.023 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.269 16.849 12.266 1.00 0.00 H new ATOM 1782 N LEU A 113 9.221 14.905 9.709 1.00 0.00 N ATOM 1783 CA LEU A 113 10.186 13.855 9.545 1.00 0.00 C ATOM 1784 C LEU A 113 10.982 13.909 10.880 1.00 0.00 C ATOM 1785 O LEU A 113 12.151 13.605 10.857 1.00 0.00 O ATOM 1786 CB LEU A 113 11.185 13.944 8.406 1.00 0.00 C ATOM 1787 CG LEU A 113 10.711 13.491 7.032 1.00 0.00 C ATOM 1788 CD1 LEU A 113 12.012 13.112 6.325 1.00 0.00 C ATOM 1789 CD2 LEU A 113 10.007 12.146 7.190 1.00 0.00 C ATOM 0 H LEU A 113 9.344 15.368 10.609 1.00 0.00 H new ATOM 0 HA LEU A 113 9.637 12.946 9.300 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.515 14.980 8.326 1.00 0.00 H new ATOM 0 HB3 LEU A 113 12.059 13.351 8.675 1.00 0.00 H new ATOM 0 HG LEU A 113 10.082 14.236 6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.790 12.767 5.315 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.666 13.982 6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 113 12.509 12.316 6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.658 11.801 6.217 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.703 11.417 7.605 1.00 0.00 H new ATOM 0 HD23 LEU A 113 9.156 12.258 7.862 1.00 0.00 H new ATOM 1801 N ILE A 114 10.244 14.279 11.853 1.00 0.00 N ATOM 1802 CA ILE A 114 10.711 14.396 13.227 1.00 0.00 C ATOM 1803 C ILE A 114 12.190 14.155 13.290 1.00 0.00 C ATOM 1804 O ILE A 114 12.906 15.173 13.411 1.00 0.00 O ATOM 1805 CB ILE A 114 9.986 13.364 14.031 1.00 0.00 C ATOM 1806 CG1 ILE A 114 8.687 12.838 13.384 1.00 0.00 C ATOM 1807 CG2 ILE A 114 9.560 13.860 15.420 1.00 0.00 C ATOM 1808 CD1 ILE A 114 7.431 13.722 13.630 1.00 0.00 C ATOM 0 H ILE A 114 9.260 14.523 11.738 1.00 0.00 H new ATOM 0 HA ILE A 114 10.517 15.395 13.618 1.00 0.00 H new ATOM 0 HB ILE A 114 10.733 12.572 14.092 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.844 12.746 12.309 1.00 0.00 H new ATOM 0 HG13 ILE A 114 8.489 11.836 13.764 1.00 0.00 H new ATOM 0 HG21 ILE A 114 9.040 13.061 15.948 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.443 14.155 15.987 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.895 14.717 15.312 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.568 13.273 13.138 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.241 13.794 14.701 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.602 14.719 13.224 1.00 0.00 H new ATOM 1820 N GLN A 115 12.564 12.898 13.151 1.00 0.00 N ATOM 1821 CA GLN A 115 13.873 12.351 13.220 1.00 0.00 C ATOM 1822 C GLN A 115 14.065 12.006 14.706 1.00 0.00 C ATOM 1823 O GLN A 115 15.023 12.397 15.340 1.00 0.00 O ATOM 1824 CB GLN A 115 14.935 13.376 12.878 1.00 0.00 C ATOM 1825 CG GLN A 115 15.046 13.825 11.421 1.00 0.00 C ATOM 1826 CD GLN A 115 16.434 13.429 10.916 1.00 0.00 C ATOM 1827 OE1 GLN A 115 16.477 12.873 9.704 1.00 0.00 O flip ATOM 1828 NE2 GLN A 115 17.406 13.643 11.637 1.00 0.00 N flip ATOM 0 H GLN A 115 11.872 12.172 12.968 1.00 0.00 H new ATOM 0 HA GLN A 115 13.969 11.514 12.528 1.00 0.00 H new ATOM 0 HB2 GLN A 115 14.756 14.261 13.489 1.00 0.00 H new ATOM 0 HB3 GLN A 115 15.901 12.971 13.179 1.00 0.00 H new ATOM 0 HG2 GLN A 115 14.271 13.355 10.816 1.00 0.00 H new ATOM 0 HG3 GLN A 115 14.903 14.903 11.341 1.00 0.00 H new ATOM 0 HE21 GLN A 115 17.277 14.074 12.552 1.00 0.00 H new ATOM 0 HE22 GLN A 115 18.342 13.389 11.320 1.00 0.00 H new ATOM 1837 N THR A 116 13.103 11.298 15.273 1.00 0.00 N ATOM 1838 CA THR A 116 13.018 10.888 16.653 1.00 0.00 C ATOM 1839 C THR A 116 14.081 9.946 17.100 1.00 0.00 C ATOM 1840 O THR A 116 13.843 8.760 17.062 1.00 0.00 O ATOM 1841 CB THR A 116 11.645 10.191 16.863 1.00 0.00 C ATOM 1842 OG1 THR A 116 10.572 11.130 16.729 1.00 0.00 O ATOM 1843 CG2 THR A 116 11.602 9.454 18.170 1.00 0.00 C ATOM 0 H THR A 116 12.301 10.973 14.733 1.00 0.00 H new ATOM 0 HA THR A 116 13.144 11.794 17.246 1.00 0.00 H new ATOM 0 HB THR A 116 11.516 9.443 16.080 1.00 0.00 H new ATOM 0 HG1 THR A 116 10.846 11.995 17.100 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.629 8.977 18.287 1.00 0.00 H new ATOM 0 HG22 THR A 116 12.383 8.693 18.185 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.763 10.155 18.989 1.00 0.00 H new ATOM 1851 N TYR A 117 15.239 10.431 17.546 1.00 0.00 N ATOM 1852 CA TYR A 117 16.187 9.513 18.063 1.00 0.00 C ATOM 1853 C TYR A 117 16.324 9.636 19.593 1.00 0.00 C ATOM 1854 O TYR A 117 16.999 10.490 20.159 1.00 0.00 O ATOM 1855 CB TYR A 117 17.632 9.804 17.613 1.00 0.00 C ATOM 1856 CG TYR A 117 18.038 10.327 16.240 1.00 0.00 C ATOM 1857 CD1 TYR A 117 17.171 10.682 15.231 1.00 0.00 C ATOM 1858 CD2 TYR A 117 19.397 10.477 15.894 1.00 0.00 C ATOM 1859 CE1 TYR A 117 17.618 11.142 14.006 1.00 0.00 C ATOM 1860 CE2 TYR A 117 19.869 10.929 14.671 1.00 0.00 C ATOM 1861 CZ TYR A 117 18.959 11.286 13.670 1.00 0.00 C ATOM 1862 OH TYR A 117 19.369 11.748 12.430 1.00 0.00 O ATOM 0 H TYR A 117 15.514 11.413 17.552 1.00 0.00 H new ATOM 0 HA TYR A 117 15.812 8.552 17.711 1.00 0.00 H new ATOM 0 HB2 TYR A 117 18.030 10.518 18.334 1.00 0.00 H new ATOM 0 HB3 TYR A 117 18.180 8.872 17.751 1.00 0.00 H new ATOM 0 HD1 TYR A 117 16.108 10.599 15.402 1.00 0.00 H new ATOM 0 HD2 TYR A 117 20.131 10.219 16.643 1.00 0.00 H new ATOM 0 HE1 TYR A 117 16.879 11.406 13.264 1.00 0.00 H new ATOM 0 HE2 TYR A 117 20.931 11.005 14.492 1.00 0.00 H new ATOM 0 HH TYR A 117 20.348 11.776 12.399 1.00 0.00 H new ATOM 1872 N THR A 118 15.703 8.706 20.302 1.00 0.00 N ATOM 1873 CA THR A 118 15.718 8.731 21.759 1.00 0.00 C ATOM 1874 C THR A 118 16.719 7.764 22.303 1.00 0.00 C ATOM 1875 O THR A 118 16.300 6.740 22.854 1.00 0.00 O ATOM 1876 CB THR A 118 14.350 8.485 22.435 1.00 0.00 C ATOM 1877 OG1 THR A 118 13.397 9.007 21.487 1.00 0.00 O ATOM 1878 CG2 THR A 118 14.226 9.282 23.691 1.00 0.00 C ATOM 0 H THR A 118 15.184 7.927 19.896 1.00 0.00 H new ATOM 0 HA THR A 118 15.998 9.755 22.006 1.00 0.00 H new ATOM 0 HB THR A 118 14.209 7.434 22.687 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.489 8.890 21.837 1.00 0.00 H new ATOM 0 HG21 THR A 118 13.255 9.092 24.148 1.00 0.00 H new ATOM 0 HG22 THR A 118 15.016 8.994 24.384 1.00 0.00 H new ATOM 0 HG23 THR A 118 14.316 10.343 23.459 1.00 0.00 H new ATOM 1886 N TYR A 119 18.029 8.067 22.176 1.00 0.00 N ATOM 1887 CA TYR A 119 19.123 7.252 22.606 1.00 0.00 C ATOM 1888 C TYR A 119 19.198 7.165 24.119 1.00 0.00 C ATOM 1889 O TYR A 119 19.863 6.224 24.550 1.00 0.00 O ATOM 1890 CB TYR A 119 20.482 7.756 22.035 1.00 0.00 C ATOM 1891 CG TYR A 119 21.072 8.934 22.714 1.00 0.00 C ATOM 1892 CD1 TYR A 119 20.692 10.241 22.456 1.00 0.00 C ATOM 1893 CD2 TYR A 119 22.065 8.700 23.674 1.00 0.00 C ATOM 1894 CE1 TYR A 119 21.288 11.279 23.141 1.00 0.00 C ATOM 1895 CE2 TYR A 119 22.653 9.742 24.353 1.00 0.00 C ATOM 1896 CZ TYR A 119 22.275 11.039 24.098 1.00 0.00 C ATOM 1897 OH TYR A 119 22.864 12.067 24.776 1.00 0.00 O ATOM 0 H TYR A 119 18.339 8.938 21.745 1.00 0.00 H new ATOM 0 HA TYR A 119 18.935 6.253 22.212 1.00 0.00 H new ATOM 0 HB2 TYR A 119 21.200 6.937 22.081 1.00 0.00 H new ATOM 0 HB3 TYR A 119 20.344 7.999 20.982 1.00 0.00 H new ATOM 0 HD1 TYR A 119 19.930 10.447 21.719 1.00 0.00 H new ATOM 0 HD2 TYR A 119 22.374 7.687 23.884 1.00 0.00 H new ATOM 0 HE1 TYR A 119 20.986 12.295 22.933 1.00 0.00 H new ATOM 0 HE2 TYR A 119 23.416 9.540 25.090 1.00 0.00 H new ATOM 0 HH TYR A 119 23.133 11.760 25.667 1.00 0.00 H new ATOM 1907 N GLU A 120 18.586 8.061 24.869 1.00 0.00 N ATOM 1908 CA GLU A 120 18.727 7.926 26.325 1.00 0.00 C ATOM 1909 C GLU A 120 17.873 8.893 27.066 1.00 0.00 C ATOM 1910 O GLU A 120 18.064 9.374 28.164 1.00 0.00 O ATOM 1911 CB GLU A 120 20.249 8.069 26.574 1.00 0.00 C ATOM 1912 CG GLU A 120 20.636 9.199 27.530 1.00 0.00 C ATOM 1913 CD GLU A 120 20.625 8.842 29.009 1.00 0.00 C ATOM 1914 OE1 GLU A 120 20.664 7.564 29.161 1.00 0.00 O ATOM 1915 OE2 GLU A 120 20.585 9.557 29.990 1.00 0.00 O ATOM 0 H GLU A 120 18.021 8.843 24.536 1.00 0.00 H new ATOM 0 HA GLU A 120 18.369 6.970 26.706 1.00 0.00 H new ATOM 0 HB2 GLU A 120 20.628 7.128 26.973 1.00 0.00 H new ATOM 0 HB3 GLU A 120 20.746 8.234 25.618 1.00 0.00 H new ATOM 0 HG2 GLU A 120 21.634 9.548 27.266 1.00 0.00 H new ATOM 0 HG3 GLU A 120 19.954 10.034 27.371 1.00 0.00 H new ATOM 1922 N GLY A 121 16.774 9.245 26.418 1.00 0.00 N ATOM 1923 CA GLY A 121 15.879 10.244 26.975 1.00 0.00 C ATOM 1924 C GLY A 121 16.071 11.588 26.275 1.00 0.00 C ATOM 1925 O GLY A 121 15.653 12.617 26.751 1.00 0.00 O ATOM 0 H GLY A 121 16.484 8.860 25.519 1.00 0.00 H new ATOM 0 HA2 GLY A 121 14.845 9.915 26.866 1.00 0.00 H new ATOM 0 HA3 GLY A 121 16.067 10.354 28.043 1.00 0.00 H new ATOM 1929 N VAL A 122 16.762 11.468 25.111 1.00 0.00 N ATOM 1930 CA VAL A 122 17.113 12.571 24.280 1.00 0.00 C ATOM 1931 C VAL A 122 16.635 12.378 22.847 1.00 0.00 C ATOM 1932 O VAL A 122 17.464 12.369 21.931 1.00 0.00 O ATOM 1933 CB VAL A 122 18.650 12.818 24.237 1.00 0.00 C ATOM 1934 CG1 VAL A 122 18.847 14.119 23.443 1.00 0.00 C ATOM 1935 CG2 VAL A 122 19.224 13.085 25.597 1.00 0.00 C ATOM 0 H VAL A 122 17.081 10.570 24.747 1.00 0.00 H new ATOM 0 HA VAL A 122 16.618 13.433 24.727 1.00 0.00 H new ATOM 0 HB VAL A 122 19.134 11.938 23.813 1.00 0.00 H new ATOM 0 HG11 VAL A 122 19.911 14.348 23.377 1.00 0.00 H new ATOM 0 HG12 VAL A 122 18.439 13.998 22.439 1.00 0.00 H new ATOM 0 HG13 VAL A 122 18.331 14.935 23.948 1.00 0.00 H new ATOM 0 HG21 VAL A 122 20.298 13.251 25.513 1.00 0.00 H new ATOM 0 HG22 VAL A 122 18.753 13.971 26.023 1.00 0.00 H new ATOM 0 HG23 VAL A 122 19.039 12.228 26.245 1.00 0.00 H new ATOM 1945 N GLU A 123 15.349 12.234 22.603 1.00 0.00 N ATOM 1946 CA GLU A 123 14.908 12.141 21.251 1.00 0.00 C ATOM 1947 C GLU A 123 15.422 13.309 20.428 1.00 0.00 C ATOM 1948 O GLU A 123 14.767 14.334 20.499 1.00 0.00 O ATOM 1949 CB GLU A 123 13.363 12.338 21.132 1.00 0.00 C ATOM 1950 CG GLU A 123 12.916 12.114 19.653 1.00 0.00 C ATOM 1951 CD GLU A 123 11.442 12.046 19.399 1.00 0.00 C ATOM 1952 OE1 GLU A 123 10.663 11.306 20.005 1.00 0.00 O ATOM 1953 OE2 GLU A 123 10.973 12.853 18.509 1.00 0.00 O ATOM 0 H GLU A 123 14.617 12.181 23.311 1.00 0.00 H new ATOM 0 HA GLU A 123 15.255 11.164 20.915 1.00 0.00 H new ATOM 0 HB2 GLU A 123 12.846 11.638 21.788 1.00 0.00 H new ATOM 0 HB3 GLU A 123 13.089 13.342 21.457 1.00 0.00 H new ATOM 0 HG2 GLU A 123 13.329 12.920 19.047 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.366 11.186 19.298 1.00 0.00 H new ATOM 1960 N ALA A 124 16.515 13.023 19.762 1.00 0.00 N ATOM 1961 CA ALA A 124 17.142 14.020 18.934 1.00 0.00 C ATOM 1962 C ALA A 124 16.691 13.895 17.475 1.00 0.00 C ATOM 1963 O ALA A 124 16.992 12.918 16.863 1.00 0.00 O ATOM 1964 CB ALA A 124 18.660 14.076 18.957 1.00 0.00 C ATOM 0 H ALA A 124 16.983 12.117 19.777 1.00 0.00 H new ATOM 0 HA ALA A 124 16.802 14.950 19.390 1.00 0.00 H new ATOM 0 HB1 ALA A 124 19.005 14.868 18.292 1.00 0.00 H new ATOM 0 HB2 ALA A 124 19.001 14.280 19.972 1.00 0.00 H new ATOM 0 HB3 ALA A 124 19.064 13.120 18.623 1.00 0.00 H new ATOM 1970 N LYS A 125 16.007 14.949 17.097 1.00 0.00 N ATOM 1971 CA LYS A 125 15.441 15.102 15.786 1.00 0.00 C ATOM 1972 C LYS A 125 15.754 16.496 15.366 1.00 0.00 C ATOM 1973 O LYS A 125 16.650 17.116 15.974 1.00 0.00 O ATOM 1974 CB LYS A 125 13.898 14.877 15.862 1.00 0.00 C ATOM 1975 CG LYS A 125 13.500 14.214 17.173 1.00 0.00 C ATOM 1976 CD LYS A 125 13.297 15.203 18.330 1.00 0.00 C ATOM 1977 CE LYS A 125 12.149 16.192 18.126 1.00 0.00 C ATOM 1978 NZ LYS A 125 10.899 15.514 18.541 1.00 0.00 N ATOM 0 H LYS A 125 15.826 15.742 17.712 1.00 0.00 H new ATOM 0 HA LYS A 125 15.844 14.383 15.073 1.00 0.00 H new ATOM 0 HB2 LYS A 125 13.384 15.833 15.765 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.577 14.256 15.026 1.00 0.00 H new ATOM 0 HG2 LYS A 125 12.578 13.653 17.021 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.269 13.494 17.453 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.116 14.639 19.245 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.220 15.763 18.478 1.00 0.00 H new ATOM 0 HE2 LYS A 125 12.310 17.094 18.716 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.090 16.501 17.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 10.188 15.604 17.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 11.092 14.507 18.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 10.538 15.954 19.412 1.00 0.00 H new ATOM 1992 N ARG A 126 15.022 16.926 14.354 1.00 0.00 N ATOM 1993 CA ARG A 126 15.223 18.265 13.822 1.00 0.00 C ATOM 1994 C ARG A 126 14.020 18.534 12.937 1.00 0.00 C ATOM 1995 O ARG A 126 13.289 19.455 13.191 1.00 0.00 O ATOM 1996 CB ARG A 126 16.412 18.390 12.920 1.00 0.00 C ATOM 1997 CG ARG A 126 17.673 17.902 13.505 1.00 0.00 C ATOM 1998 CD ARG A 126 17.731 16.405 13.244 1.00 0.00 C ATOM 1999 NE ARG A 126 18.541 15.794 14.285 1.00 0.00 N ATOM 2000 CZ ARG A 126 19.813 15.467 14.184 1.00 0.00 C ATOM 2001 NH1 ARG A 126 20.532 15.660 13.090 1.00 0.00 N ATOM 2002 NH2 ARG A 126 20.370 14.914 15.259 1.00 0.00 N ATOM 0 H ARG A 126 14.296 16.381 13.890 1.00 0.00 H new ATOM 0 HA ARG A 126 15.364 18.943 14.664 1.00 0.00 H new ATOM 0 HB2 ARG A 126 16.215 17.839 12.000 1.00 0.00 H new ATOM 0 HB3 ARG A 126 16.535 19.437 12.644 1.00 0.00 H new ATOM 0 HG2 ARG A 126 18.528 18.406 13.054 1.00 0.00 H new ATOM 0 HG3 ARG A 126 17.708 18.109 14.575 1.00 0.00 H new ATOM 0 HD2 ARG A 126 16.727 15.980 13.244 1.00 0.00 H new ATOM 0 HD3 ARG A 126 18.161 16.207 12.262 1.00 0.00 H new ATOM 0 HE ARG A 126 18.082 15.601 15.175 1.00 0.00 H new ATOM 0 HH11 ARG A 126 20.104 16.083 12.266 1.00 0.00 H new ATOM 0 HH12 ARG A 126 21.514 15.386 13.070 1.00 0.00 H new ATOM 0 HH21 ARG A 126 19.815 14.764 16.101 1.00 0.00 H new ATOM 0 HH22 ARG A 126 21.352 14.640 15.240 1.00 0.00 H new ATOM 2016 N ILE A 127 13.957 17.670 11.945 1.00 0.00 N ATOM 2017 CA ILE A 127 13.024 17.665 10.851 1.00 0.00 C ATOM 2018 C ILE A 127 13.715 18.062 9.561 1.00 0.00 C ATOM 2019 O ILE A 127 14.605 18.899 9.585 1.00 0.00 O ATOM 2020 CB ILE A 127 11.776 18.525 10.988 1.00 0.00 C ATOM 2021 CG1 ILE A 127 10.732 17.783 11.818 1.00 0.00 C ATOM 2022 CG2 ILE A 127 11.183 18.821 9.595 1.00 0.00 C ATOM 2023 CD1 ILE A 127 10.980 17.600 13.302 1.00 0.00 C ATOM 0 H ILE A 127 14.614 16.892 11.884 1.00 0.00 H new ATOM 0 HA ILE A 127 12.671 16.634 10.851 1.00 0.00 H new ATOM 0 HB ILE A 127 12.046 19.461 11.477 1.00 0.00 H new ATOM 0 HG12 ILE A 127 9.784 18.308 11.703 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.603 16.793 11.380 1.00 0.00 H new ATOM 0 HG21 ILE A 127 10.290 19.437 9.703 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.919 19.352 8.991 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.920 17.884 9.105 1.00 0.00 H new ATOM 0 HD11 ILE A 127 10.147 17.055 13.746 1.00 0.00 H new ATOM 0 HD12 ILE A 127 11.902 17.038 13.450 1.00 0.00 H new ATOM 0 HD13 ILE A 127 11.070 18.576 13.779 1.00 0.00 H new ATOM 2035 N PHE A 128 13.161 17.400 8.537 1.00 0.00 N ATOM 2036 CA PHE A 128 13.446 17.480 7.179 1.00 0.00 C ATOM 2037 C PHE A 128 13.443 18.900 6.580 1.00 0.00 C ATOM 2038 O PHE A 128 12.648 19.696 7.040 1.00 0.00 O ATOM 2039 CB PHE A 128 12.439 16.720 6.322 1.00 0.00 C ATOM 2040 CG PHE A 128 11.053 17.401 6.252 1.00 0.00 C ATOM 2041 CD1 PHE A 128 10.834 18.551 5.492 1.00 0.00 C ATOM 2042 CD2 PHE A 128 9.940 16.935 6.914 1.00 0.00 C ATOM 2043 CE1 PHE A 128 9.626 19.202 5.384 1.00 0.00 C ATOM 2044 CE2 PHE A 128 8.707 17.564 6.830 1.00 0.00 C ATOM 2045 CZ PHE A 128 8.532 18.713 6.061 1.00 0.00 C ATOM 0 H PHE A 128 12.417 16.725 8.710 1.00 0.00 H new ATOM 0 HA PHE A 128 14.450 17.057 7.148 1.00 0.00 H new ATOM 0 HB2 PHE A 128 12.837 16.618 5.312 1.00 0.00 H new ATOM 0 HB3 PHE A 128 12.321 15.713 6.721 1.00 0.00 H new ATOM 0 HD1 PHE A 128 11.673 18.960 4.949 1.00 0.00 H new ATOM 0 HD2 PHE A 128 10.030 16.047 7.521 1.00 0.00 H new ATOM 0 HE1 PHE A 128 9.537 20.089 4.774 1.00 0.00 H new ATOM 0 HE2 PHE A 128 7.866 17.156 7.371 1.00 0.00 H new ATOM 0 HZ PHE A 128 7.571 19.203 5.998 1.00 0.00 H new ATOM 2055 N LYS A 129 14.317 18.935 5.616 1.00 0.00 N ATOM 2056 CA LYS A 129 14.672 20.079 4.805 1.00 0.00 C ATOM 2057 C LYS A 129 14.095 19.833 3.420 1.00 0.00 C ATOM 2058 O LYS A 129 14.315 20.665 2.588 1.00 0.00 O ATOM 2059 CB LYS A 129 16.048 20.644 4.872 1.00 0.00 C ATOM 2060 CG LYS A 129 15.969 22.184 4.912 1.00 0.00 C ATOM 2061 CD LYS A 129 15.633 22.913 3.649 1.00 0.00 C ATOM 2062 CE LYS A 129 14.217 23.522 3.728 1.00 0.00 C ATOM 2063 NZ LYS A 129 13.075 22.638 3.468 1.00 0.00 N ATOM 0 H LYS A 129 14.844 18.103 5.351 1.00 0.00 H new ATOM 0 HA LYS A 129 14.216 20.953 5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 129 16.563 20.272 5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 129 16.628 20.321 4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 129 15.227 22.459 5.661 1.00 0.00 H new ATOM 0 HG3 LYS A 129 16.931 22.557 5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 129 16.364 23.702 3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 129 15.693 22.229 2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 129 14.091 23.948 4.724 1.00 0.00 H new ATOM 0 HE3 LYS A 129 14.168 24.349 3.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 12.277 23.199 3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 13.343 21.922 2.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 12.794 22.166 4.351 1.00 0.00 H new ATOM 2077 N LYS A 130 13.357 18.773 3.439 1.00 0.00 N ATOM 2078 CA LYS A 130 12.689 18.239 2.304 1.00 0.00 C ATOM 2079 C LYS A 130 13.101 18.844 0.988 1.00 0.00 C ATOM 2080 O LYS A 130 13.406 20.037 0.764 1.00 0.00 O ATOM 2081 CB LYS A 130 11.152 18.278 2.408 1.00 0.00 C ATOM 2082 CG LYS A 130 10.397 18.303 1.053 1.00 0.00 C ATOM 2083 CD LYS A 130 9.850 19.671 0.692 1.00 0.00 C ATOM 2084 CE LYS A 130 8.316 19.742 0.528 1.00 0.00 C ATOM 2085 NZ LYS A 130 7.943 20.778 -0.436 1.00 0.00 N ATOM 0 H LYS A 130 13.197 18.231 4.288 1.00 0.00 H new ATOM 0 HA LYS A 130 13.017 17.200 2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 130 10.820 17.408 2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 130 10.865 19.159 2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 130 11.071 17.970 0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 130 9.574 17.589 1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 130 10.150 20.380 1.463 1.00 0.00 H new ATOM 0 HD3 LYS A 130 10.315 19.997 -0.239 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.936 18.776 0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.852 19.952 1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 6.908 20.808 -0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 8.287 21.701 -0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 8.369 20.562 -1.360 1.00 0.00 H new ATOM 2099 N GLU A 131 13.028 17.896 0.025 1.00 0.00 N ATOM 2100 CA GLU A 131 13.436 18.230 -1.377 1.00 0.00 C ATOM 2101 C GLU A 131 12.623 17.661 -2.497 1.00 0.00 C ATOM 2102 O GLU A 131 13.016 17.428 -3.651 1.00 0.00 O ATOM 2103 CB GLU A 131 14.970 18.205 -1.313 1.00 0.00 C ATOM 2104 CG GLU A 131 15.882 18.923 -2.294 1.00 0.00 C ATOM 2105 CD GLU A 131 15.233 19.107 -3.688 1.00 0.00 C ATOM 2106 OE1 GLU A 131 14.359 20.058 -3.796 1.00 0.00 O ATOM 2107 OE2 GLU A 131 15.548 18.345 -4.694 1.00 0.00 O ATOM 2108 OXT GLU A 131 11.652 18.639 -1.773 1.00 0.00 O ATOM 0 H GLU A 131 12.709 16.938 0.171 1.00 0.00 H new ATOM 0 HA GLU A 131 13.145 19.215 -1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 131 15.237 18.577 -0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 131 15.257 17.154 -1.347 1.00 0.00 H new ATOM 0 HG2 GLU A 131 16.147 19.900 -1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 131 16.809 18.360 -2.401 1.00 0.00 H new