USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 958 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 57 THR OG1 : rot -42:sc= 0.391 USER MOD Set 1.2: A 83 MET CE :methyl -151:sc= -3.92 (180deg=-4.55!) USER MOD Set 2.1: A 3 GLN : amide:sc= -0.199 X(o=-0.71,f=-0.51) USER MOD Set 2.2: A 4 ASN : amide:sc= -0.51 K(o=-0.71,f=-3.5!) USER MOD Set 3.1: A 2 SER OG : rot -41:sc= 0.339 USER MOD Set 3.2: A 111 LYS NZ :NH3+ -174:sc= 0.496 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= -0.036 (180deg=-0.12) USER MOD Single : A 6 GLN : amide:sc= -2.48 X(o=-2.5,f=-2.4) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 157:sc= -3.78! (180deg=-4.57) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -66:sc= 0.888 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.317 F(o=-1.3,f=-0.32) USER MOD Single : A 27 ASN : amide:sc= -0.0522 X(o=-0.052,f=-0.19) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN :FLIP amide:sc= -1.07 F(o=-2,f=-1.1) USER MOD Single : A 37 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.68) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 50:sc= 0.315 USER MOD Single : A 46 THR OG1 : rot -86:sc= 0.933 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.299 USER MOD Single : A 51 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.7!) USER MOD Single : A 53 CYS SG : rot 123:sc= 0.177 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0.133 X(o=0.13,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -81:sc= 1.04 USER MOD Single : A 77 LYS NZ :NH3+ -176:sc= -0.169 (180deg=-0.209) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.859 F(o=-1.4,f=-0.86) USER MOD Single : A 86 ASN : amide:sc= -0.94 K(o=-0.94,f=-3.4!) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.025) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -159:sc= -0.0797 (180deg=-0.476) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.664 X(o=-0.66,f=-0.48) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.432 -1.047 -0.057 1.00 21.51 N ATOM 2 CA MET A 1 1.170 0.315 0.394 1.00 60.54 C ATOM 3 C MET A 1 2.465 1.014 0.793 1.00 25.33 C ATOM 4 O MET A 1 3.041 0.722 1.841 1.00 25.13 O ATOM 5 CB MET A 1 0.196 0.306 1.574 1.00 65.33 C ATOM 6 CG MET A 1 -1.174 -0.252 1.226 1.00 14.15 C ATOM 7 SD MET A 1 -2.360 1.037 0.798 1.00 51.03 S ATOM 8 CE MET A 1 -3.683 0.058 0.090 1.00 43.43 C ATOM 0 H1 MET A 1 1.252 -1.115 -1.079 1.00 21.51 H new ATOM 0 H2 MET A 1 2.424 -1.292 0.136 1.00 21.51 H new ATOM 0 H3 MET A 1 0.807 -1.707 0.449 1.00 21.51 H new ATOM 0 HA MET A 1 0.721 0.865 -0.433 1.00 60.54 H new ATOM 0 HB2 MET A 1 0.625 -0.284 2.384 1.00 65.33 H new ATOM 0 HB3 MET A 1 0.081 1.324 1.947 1.00 65.33 H new ATOM 0 HG2 MET A 1 -1.078 -0.945 0.390 1.00 14.15 H new ATOM 0 HG3 MET A 1 -1.555 -0.824 2.072 1.00 14.15 H new ATOM 0 HE1 MET A 1 -4.494 0.715 -0.224 1.00 43.43 H new ATOM 0 HE2 MET A 1 -3.307 -0.492 -0.773 1.00 43.43 H new ATOM 0 HE3 MET A 1 -4.054 -0.645 0.835 1.00 43.43 H new ATOM 18 N SER A 2 2.918 1.937 -0.048 1.00 44.35 N ATOM 19 CA SER A 2 4.148 2.675 0.216 1.00 62.04 C ATOM 20 C SER A 2 3.943 3.691 1.335 1.00 32.44 C ATOM 21 O SER A 2 2.841 3.830 1.866 1.00 22.21 O ATOM 22 CB SER A 2 4.623 3.386 -1.053 1.00 5.43 C ATOM 23 OG SER A 2 4.028 2.822 -2.208 1.00 34.11 O ATOM 0 H SER A 2 2.452 2.192 -0.919 1.00 44.35 H new ATOM 0 HA SER A 2 4.910 1.962 0.532 1.00 62.04 H new ATOM 0 HB2 SER A 2 4.376 4.446 -0.994 1.00 5.43 H new ATOM 0 HB3 SER A 2 5.708 3.316 -1.128 1.00 5.43 H new ATOM 0 HG SER A 2 4.008 1.846 -2.122 1.00 34.11 H new ATOM 29 N GLN A 3 5.012 4.397 1.689 1.00 72.15 N ATOM 30 CA GLN A 3 4.949 5.399 2.746 1.00 45.34 C ATOM 31 C GLN A 3 5.197 6.796 2.186 1.00 4.34 C ATOM 32 O GLN A 3 6.297 7.107 1.731 1.00 62.32 O ATOM 33 CB GLN A 3 5.974 5.085 3.837 1.00 61.41 C ATOM 34 CG GLN A 3 6.124 6.191 4.868 1.00 15.25 C ATOM 35 CD GLN A 3 4.836 6.467 5.619 1.00 33.13 C ATOM 36 OE1 GLN A 3 4.298 5.590 6.295 1.00 33.53 O ATOM 37 NE2 GLN A 3 4.334 7.691 5.505 1.00 73.24 N ATOM 0 H GLN A 3 5.931 4.294 1.260 1.00 72.15 H new ATOM 0 HA GLN A 3 3.949 5.372 3.179 1.00 45.34 H new ATOM 0 HB2 GLN A 3 5.683 4.165 4.343 1.00 61.41 H new ATOM 0 HB3 GLN A 3 6.942 4.900 3.372 1.00 61.41 H new ATOM 0 HG2 GLN A 3 6.903 5.916 5.579 1.00 15.25 H new ATOM 0 HG3 GLN A 3 6.453 7.104 4.371 1.00 15.25 H new ATOM 0 HE21 GLN A 3 4.813 8.387 4.934 1.00 73.24 H new ATOM 0 HE22 GLN A 3 3.470 7.935 5.988 1.00 73.24 H new ATOM 46 N ASN A 4 4.167 7.635 2.224 1.00 1.02 N ATOM 47 CA ASN A 4 4.273 8.999 1.720 1.00 2.41 C ATOM 48 C ASN A 4 5.031 9.886 2.704 1.00 35.43 C ATOM 49 O ASN A 4 4.455 10.787 3.314 1.00 54.25 O ATOM 50 CB ASN A 4 2.881 9.579 1.461 1.00 2.32 C ATOM 51 CG ASN A 4 1.939 9.364 2.630 1.00 73.05 C ATOM 52 OD1 ASN A 4 2.372 9.093 3.749 1.00 2.35 O ATOM 53 ND2 ASN A 4 0.641 9.483 2.373 1.00 43.44 N ATOM 0 H ASN A 4 3.249 7.394 2.599 1.00 1.02 H new ATOM 0 HA ASN A 4 4.828 8.971 0.782 1.00 2.41 H new ATOM 0 HB2 ASN A 4 2.967 10.647 1.259 1.00 2.32 H new ATOM 0 HB3 ASN A 4 2.459 9.118 0.568 1.00 2.32 H new ATOM 0 HD21 ASN A 4 -0.041 9.348 3.119 1.00 43.44 H new ATOM 0 HD22 ASN A 4 0.327 9.709 1.429 1.00 43.44 H new ATOM 60 N ARG A 5 6.325 9.623 2.854 1.00 73.20 N ATOM 61 CA ARG A 5 7.161 10.396 3.764 1.00 30.33 C ATOM 62 C ARG A 5 8.637 10.247 3.405 1.00 14.42 C ATOM 63 O ARG A 5 9.242 11.159 2.842 1.00 61.42 O ATOM 64 CB ARG A 5 6.929 9.948 5.208 1.00 30.25 C ATOM 65 CG ARG A 5 7.730 10.741 6.228 1.00 13.02 C ATOM 66 CD ARG A 5 7.603 10.145 7.622 1.00 40.14 C ATOM 67 NE ARG A 5 8.862 10.205 8.359 1.00 1.11 N ATOM 68 CZ ARG A 5 8.992 9.819 9.623 1.00 3.35 C ATOM 69 NH1 ARG A 5 7.946 9.348 10.287 1.00 31.23 N ATOM 70 NH2 ARG A 5 10.171 9.904 10.226 1.00 3.43 N ATOM 0 H ARG A 5 6.817 8.881 2.357 1.00 73.20 H new ATOM 0 HA ARG A 5 6.885 11.446 3.668 1.00 30.33 H new ATOM 0 HB2 ARG A 5 5.868 10.039 5.442 1.00 30.25 H new ATOM 0 HB3 ARG A 5 7.186 8.893 5.298 1.00 30.25 H new ATOM 0 HG2 ARG A 5 8.779 10.760 5.933 1.00 13.02 H new ATOM 0 HG3 ARG A 5 7.384 11.775 6.240 1.00 13.02 H new ATOM 0 HD2 ARG A 5 6.832 10.681 8.176 1.00 40.14 H new ATOM 0 HD3 ARG A 5 7.277 9.108 7.545 1.00 40.14 H new ATOM 0 HE ARG A 5 9.687 10.563 7.877 1.00 1.11 H new ATOM 0 HH11 ARG A 5 7.038 9.281 9.827 1.00 31.23 H new ATOM 0 HH12 ARG A 5 8.049 9.052 11.258 1.00 31.23 H new ATOM 0 HH21 ARG A 5 10.978 10.266 9.719 1.00 3.43 H new ATOM 0 HH22 ARG A 5 10.270 9.607 11.197 1.00 3.43 H new ATOM 84 N GLN A 6 9.208 9.094 3.736 1.00 33.31 N ATOM 85 CA GLN A 6 10.612 8.827 3.449 1.00 4.44 C ATOM 86 C GLN A 6 10.789 7.445 2.829 1.00 12.41 C ATOM 87 O GLN A 6 9.971 6.549 3.042 1.00 65.31 O ATOM 88 CB GLN A 6 11.445 8.936 4.728 1.00 61.30 C ATOM 89 CG GLN A 6 11.578 7.622 5.481 1.00 72.43 C ATOM 90 CD GLN A 6 10.235 7.012 5.832 1.00 71.25 C ATOM 91 OE1 GLN A 6 9.316 7.710 6.262 1.00 45.02 O ATOM 92 NE2 GLN A 6 10.113 5.702 5.649 1.00 43.21 N ATOM 0 H GLN A 6 8.720 8.330 4.203 1.00 33.31 H new ATOM 0 HA GLN A 6 10.958 9.572 2.733 1.00 4.44 H new ATOM 0 HB2 GLN A 6 12.440 9.302 4.474 1.00 61.30 H new ATOM 0 HB3 GLN A 6 10.991 9.678 5.385 1.00 61.30 H new ATOM 0 HG2 GLN A 6 12.146 6.916 4.875 1.00 72.43 H new ATOM 0 HG3 GLN A 6 12.148 7.788 6.395 1.00 72.43 H new ATOM 0 HE21 GLN A 6 10.900 5.162 5.290 1.00 43.21 H new ATOM 0 HE22 GLN A 6 9.232 5.236 5.867 1.00 43.21 H new ATOM 101 N LEU A 7 11.860 7.280 2.061 1.00 72.41 N ATOM 102 CA LEU A 7 12.144 6.006 1.409 1.00 51.14 C ATOM 103 C LEU A 7 13.368 5.338 2.028 1.00 54.23 C ATOM 104 O LEU A 7 14.438 5.941 2.117 1.00 23.41 O ATOM 105 CB LEU A 7 12.367 6.217 -0.090 1.00 21.31 C ATOM 106 CG LEU A 7 11.160 5.955 -0.992 1.00 22.24 C ATOM 107 CD1 LEU A 7 11.035 4.470 -1.298 1.00 13.43 C ATOM 108 CD2 LEU A 7 9.887 6.477 -0.343 1.00 15.11 C ATOM 0 H LEU A 7 12.546 8.012 1.874 1.00 72.41 H new ATOM 0 HA LEU A 7 11.284 5.352 1.554 1.00 51.14 H new ATOM 0 HB2 LEU A 7 12.696 7.244 -0.247 1.00 21.31 H new ATOM 0 HB3 LEU A 7 13.182 5.568 -0.410 1.00 21.31 H new ATOM 0 HG LEU A 7 11.310 6.487 -1.932 1.00 22.24 H new ATOM 0 HD11 LEU A 7 10.171 4.302 -1.941 1.00 13.43 H new ATOM 0 HD12 LEU A 7 11.937 4.126 -1.805 1.00 13.43 H new ATOM 0 HD13 LEU A 7 10.908 3.916 -0.368 1.00 13.43 H new ATOM 0 HD21 LEU A 7 9.038 6.282 -0.998 1.00 15.11 H new ATOM 0 HD22 LEU A 7 9.732 5.973 0.611 1.00 15.11 H new ATOM 0 HD23 LEU A 7 9.978 7.550 -0.176 1.00 15.11 H new ATOM 120 N LEU A 8 13.203 4.090 2.452 1.00 52.22 N ATOM 121 CA LEU A 8 14.295 3.338 3.061 1.00 52.54 C ATOM 122 C LEU A 8 15.497 3.269 2.124 1.00 53.10 C ATOM 123 O LEU A 8 16.540 3.866 2.391 1.00 20.32 O ATOM 124 CB LEU A 8 13.830 1.926 3.418 1.00 23.42 C ATOM 125 CG LEU A 8 14.158 1.450 4.834 1.00 34.30 C ATOM 126 CD1 LEU A 8 13.575 2.403 5.866 1.00 40.03 C ATOM 127 CD2 LEU A 8 13.636 0.037 5.056 1.00 43.32 C ATOM 0 H LEU A 8 12.324 3.577 2.385 1.00 52.22 H new ATOM 0 HA LEU A 8 14.597 3.855 3.972 1.00 52.54 H new ATOM 0 HB2 LEU A 8 12.750 1.875 3.280 1.00 23.42 H new ATOM 0 HB3 LEU A 8 14.275 1.228 2.709 1.00 23.42 H new ATOM 0 HG LEU A 8 15.242 1.439 4.951 1.00 34.30 H new ATOM 0 HD11 LEU A 8 13.818 2.048 6.867 1.00 40.03 H new ATOM 0 HD12 LEU A 8 13.996 3.398 5.721 1.00 40.03 H new ATOM 0 HD13 LEU A 8 12.492 2.447 5.750 1.00 40.03 H new ATOM 0 HD21 LEU A 8 13.878 -0.285 6.069 1.00 43.32 H new ATOM 0 HD22 LEU A 8 12.555 0.023 4.920 1.00 43.32 H new ATOM 0 HD23 LEU A 8 14.101 -0.639 4.339 1.00 43.32 H new ATOM 139 N TYR A 9 15.342 2.539 1.025 1.00 41.30 N ATOM 140 CA TYR A 9 16.415 2.392 0.048 1.00 33.23 C ATOM 141 C TYR A 9 15.918 1.671 -1.201 1.00 64.03 C ATOM 142 O TYR A 9 16.221 0.501 -1.436 1.00 32.23 O ATOM 143 CB TYR A 9 17.588 1.625 0.660 1.00 4.44 C ATOM 144 CG TYR A 9 17.166 0.443 1.503 1.00 1.45 C ATOM 145 CD1 TYR A 9 16.849 0.602 2.847 1.00 32.40 C ATOM 146 CD2 TYR A 9 17.085 -0.831 0.957 1.00 22.41 C ATOM 147 CE1 TYR A 9 16.463 -0.475 3.622 1.00 60.45 C ATOM 148 CE2 TYR A 9 16.699 -1.914 1.724 1.00 40.24 C ATOM 149 CZ TYR A 9 16.389 -1.731 3.055 1.00 2.11 C ATOM 150 OH TYR A 9 16.005 -2.807 3.822 1.00 5.13 O ATOM 0 H TYR A 9 14.484 2.040 0.788 1.00 41.30 H new ATOM 0 HA TYR A 9 16.751 3.389 -0.239 1.00 33.23 H new ATOM 0 HB2 TYR A 9 18.239 1.275 -0.141 1.00 4.44 H new ATOM 0 HB3 TYR A 9 18.176 2.307 1.274 1.00 4.44 H new ATOM 0 HD1 TYR A 9 16.905 1.584 3.293 1.00 32.40 H new ATOM 0 HD2 TYR A 9 17.328 -0.978 -0.085 1.00 22.41 H new ATOM 0 HE1 TYR A 9 16.221 -0.335 4.665 1.00 60.45 H new ATOM 0 HE2 TYR A 9 16.641 -2.898 1.283 1.00 40.24 H new ATOM 0 HH TYR A 9 16.003 -3.617 3.271 1.00 5.13 H new ATOM 160 N PRO A 10 15.137 2.386 -2.025 1.00 3.05 N ATOM 161 CA PRO A 10 14.583 1.837 -3.265 1.00 74.42 C ATOM 162 C PRO A 10 15.653 1.603 -4.325 1.00 64.33 C ATOM 163 O PRO A 10 16.323 2.539 -4.762 1.00 23.15 O ATOM 164 CB PRO A 10 13.602 2.919 -3.725 1.00 62.51 C ATOM 165 CG PRO A 10 14.118 4.179 -3.121 1.00 65.14 C ATOM 166 CD PRO A 10 14.736 3.786 -1.808 1.00 1.22 C ATOM 0 HA PRO A 10 14.121 0.862 -3.108 1.00 74.42 H new ATOM 0 HB2 PRO A 10 13.568 2.986 -4.812 1.00 62.51 H new ATOM 0 HB3 PRO A 10 12.588 2.704 -3.387 1.00 62.51 H new ATOM 0 HG2 PRO A 10 14.853 4.651 -3.772 1.00 65.14 H new ATOM 0 HG3 PRO A 10 13.313 4.899 -2.973 1.00 65.14 H new ATOM 0 HD2 PRO A 10 15.591 4.415 -1.562 1.00 1.22 H new ATOM 0 HD3 PRO A 10 14.026 3.878 -0.986 1.00 1.22 H new ATOM 174 N ARG A 11 15.809 0.348 -4.736 1.00 0.31 N ATOM 175 CA ARG A 11 16.799 -0.008 -5.745 1.00 23.13 C ATOM 176 C ARG A 11 16.784 -1.510 -6.015 1.00 1.21 C ATOM 177 O ARG A 11 17.014 -1.949 -7.141 1.00 74.30 O ATOM 178 CB ARG A 11 18.196 0.426 -5.295 1.00 73.20 C ATOM 179 CG ARG A 11 18.494 0.104 -3.840 1.00 2.22 C ATOM 180 CD ARG A 11 19.911 -0.419 -3.664 1.00 61.12 C ATOM 181 NE ARG A 11 19.995 -1.429 -2.613 1.00 22.22 N ATOM 182 CZ ARG A 11 21.065 -2.189 -2.408 1.00 23.14 C ATOM 183 NH1 ARG A 11 22.136 -2.054 -3.177 1.00 41.35 N ATOM 184 NH2 ARG A 11 21.066 -3.086 -1.430 1.00 73.41 N ATOM 0 H ARG A 11 15.262 -0.439 -4.385 1.00 0.31 H new ATOM 0 HA ARG A 11 16.544 0.513 -6.668 1.00 23.13 H new ATOM 0 HB2 ARG A 11 18.939 -0.061 -5.926 1.00 73.20 H new ATOM 0 HB3 ARG A 11 18.301 1.500 -5.450 1.00 73.20 H new ATOM 0 HG2 ARG A 11 18.357 0.999 -3.233 1.00 2.22 H new ATOM 0 HG3 ARG A 11 17.783 -0.639 -3.478 1.00 2.22 H new ATOM 0 HD2 ARG A 11 20.260 -0.845 -4.605 1.00 61.12 H new ATOM 0 HD3 ARG A 11 20.576 0.410 -3.424 1.00 61.12 H new ATOM 0 HE ARG A 11 19.188 -1.558 -2.003 1.00 22.22 H new ATOM 0 HH11 ARG A 11 22.140 -1.365 -3.929 1.00 41.35 H new ATOM 0 HH12 ARG A 11 22.956 -2.639 -3.017 1.00 41.35 H new ATOM 0 HH21 ARG A 11 20.245 -3.192 -0.835 1.00 73.41 H new ATOM 0 HH22 ARG A 11 21.888 -3.669 -1.274 1.00 73.41 H new ATOM 198 N GLU A 12 16.513 -2.291 -4.974 1.00 14.53 N ATOM 199 CA GLU A 12 16.469 -3.743 -5.099 1.00 41.45 C ATOM 200 C GLU A 12 15.535 -4.163 -6.231 1.00 23.01 C ATOM 201 O GLU A 12 15.725 -5.210 -6.849 1.00 3.02 O ATOM 202 CB GLU A 12 16.012 -4.377 -3.784 1.00 64.22 C ATOM 203 CG GLU A 12 16.721 -5.681 -3.459 1.00 63.31 C ATOM 204 CD GLU A 12 18.219 -5.507 -3.299 1.00 0.11 C ATOM 205 OE1 GLU A 12 18.649 -5.007 -2.239 1.00 14.35 O ATOM 206 OE2 GLU A 12 18.962 -5.871 -4.235 1.00 35.33 O ATOM 0 H GLU A 12 16.321 -1.942 -4.035 1.00 14.53 H new ATOM 0 HA GLU A 12 17.475 -4.093 -5.332 1.00 41.45 H new ATOM 0 HB2 GLU A 12 16.180 -3.670 -2.972 1.00 64.22 H new ATOM 0 HB3 GLU A 12 14.938 -4.559 -3.832 1.00 64.22 H new ATOM 0 HG2 GLU A 12 16.307 -6.096 -2.540 1.00 63.31 H new ATOM 0 HG3 GLU A 12 16.526 -6.404 -4.251 1.00 63.31 H new ATOM 213 N GLU A 13 14.526 -3.339 -6.495 1.00 4.41 N ATOM 214 CA GLU A 13 13.562 -3.626 -7.551 1.00 4.24 C ATOM 215 C GLU A 13 14.097 -3.184 -8.910 1.00 74.01 C ATOM 216 O GLU A 13 13.869 -3.845 -9.923 1.00 34.03 O ATOM 217 CB GLU A 13 12.232 -2.927 -7.261 1.00 44.43 C ATOM 218 CG GLU A 13 12.347 -1.414 -7.168 1.00 64.41 C ATOM 219 CD GLU A 13 11.939 -0.718 -8.452 1.00 32.03 C ATOM 220 OE1 GLU A 13 10.787 -0.913 -8.892 1.00 71.14 O ATOM 221 OE2 GLU A 13 12.772 0.023 -9.015 1.00 72.42 O ATOM 0 H GLU A 13 14.355 -2.468 -5.993 1.00 4.41 H new ATOM 0 HA GLU A 13 13.399 -4.703 -7.577 1.00 4.24 H new ATOM 0 HB2 GLU A 13 11.519 -3.181 -8.045 1.00 44.43 H new ATOM 0 HB3 GLU A 13 11.826 -3.310 -6.325 1.00 44.43 H new ATOM 0 HG2 GLU A 13 11.722 -1.055 -6.350 1.00 64.41 H new ATOM 0 HG3 GLU A 13 13.375 -1.146 -6.925 1.00 64.41 H new ATOM 228 N MET A 14 14.808 -2.062 -8.923 1.00 41.43 N ATOM 229 CA MET A 14 15.375 -1.531 -10.158 1.00 24.43 C ATOM 230 C MET A 14 16.152 -2.610 -10.906 1.00 61.03 C ATOM 231 O MET A 14 15.964 -2.804 -12.107 1.00 41.24 O ATOM 232 CB MET A 14 16.292 -0.344 -9.854 1.00 73.45 C ATOM 233 CG MET A 14 17.093 0.127 -11.057 1.00 4.22 C ATOM 234 SD MET A 14 18.747 -0.588 -11.113 1.00 24.43 S ATOM 235 CE MET A 14 18.721 -1.376 -12.721 1.00 22.40 C ATOM 0 H MET A 14 15.006 -1.503 -8.093 1.00 41.43 H new ATOM 0 HA MET A 14 14.554 -1.194 -10.791 1.00 24.43 H new ATOM 0 HB2 MET A 14 15.689 0.484 -9.482 1.00 73.45 H new ATOM 0 HB3 MET A 14 16.980 -0.622 -9.055 1.00 73.45 H new ATOM 0 HG2 MET A 14 16.558 -0.134 -11.970 1.00 4.22 H new ATOM 0 HG3 MET A 14 17.172 1.214 -11.033 1.00 4.22 H new ATOM 0 HE1 MET A 14 19.742 -1.501 -13.081 1.00 22.40 H new ATOM 0 HE2 MET A 14 18.243 -2.352 -12.640 1.00 22.40 H new ATOM 0 HE3 MET A 14 18.162 -0.755 -13.421 1.00 22.40 H new ATOM 245 N VAL A 15 17.026 -3.310 -10.189 1.00 13.40 N ATOM 246 CA VAL A 15 17.830 -4.369 -10.785 1.00 62.24 C ATOM 247 C VAL A 15 16.949 -5.482 -11.340 1.00 73.42 C ATOM 248 O VAL A 15 17.310 -6.150 -12.309 1.00 64.10 O ATOM 249 CB VAL A 15 18.814 -4.969 -9.764 1.00 22.53 C ATOM 250 CG1 VAL A 15 19.871 -3.947 -9.375 1.00 51.32 C ATOM 251 CG2 VAL A 15 18.068 -5.470 -8.536 1.00 53.32 C ATOM 0 H VAL A 15 17.195 -3.162 -9.194 1.00 13.40 H new ATOM 0 HA VAL A 15 18.395 -3.916 -11.600 1.00 62.24 H new ATOM 0 HB VAL A 15 19.317 -5.818 -10.227 1.00 22.53 H new ATOM 0 HG11 VAL A 15 20.557 -4.390 -8.653 1.00 51.32 H new ATOM 0 HG12 VAL A 15 20.426 -3.642 -10.262 1.00 51.32 H new ATOM 0 HG13 VAL A 15 19.389 -3.076 -8.931 1.00 51.32 H new ATOM 0 HG21 VAL A 15 18.779 -5.891 -7.825 1.00 53.32 H new ATOM 0 HG22 VAL A 15 17.536 -4.641 -8.070 1.00 53.32 H new ATOM 0 HG23 VAL A 15 17.354 -6.238 -8.832 1.00 53.32 H new ATOM 261 N SER A 16 15.789 -5.677 -10.720 1.00 4.43 N ATOM 262 CA SER A 16 14.856 -6.712 -11.149 1.00 44.33 C ATOM 263 C SER A 16 14.446 -6.504 -12.604 1.00 3.50 C ATOM 264 O SER A 16 14.523 -7.423 -13.421 1.00 13.45 O ATOM 265 CB SER A 16 13.616 -6.714 -10.253 1.00 44.03 C ATOM 266 OG SER A 16 13.185 -8.036 -9.983 1.00 22.53 O ATOM 0 H SER A 16 15.473 -5.131 -9.918 1.00 4.43 H new ATOM 0 HA SER A 16 15.357 -7.676 -11.065 1.00 44.33 H new ATOM 0 HB2 SER A 16 13.839 -6.202 -9.317 1.00 44.03 H new ATOM 0 HB3 SER A 16 12.813 -6.158 -10.737 1.00 44.03 H new ATOM 0 HG SER A 16 12.392 -8.010 -9.407 1.00 22.53 H new ATOM 272 N LEU A 17 14.011 -5.289 -12.921 1.00 72.21 N ATOM 273 CA LEU A 17 13.588 -4.958 -14.278 1.00 31.25 C ATOM 274 C LEU A 17 14.706 -5.232 -15.279 1.00 33.24 C ATOM 275 O LEU A 17 14.581 -6.100 -16.143 1.00 34.35 O ATOM 276 CB LEU A 17 13.165 -3.490 -14.357 1.00 62.20 C ATOM 277 CG LEU A 17 12.043 -3.063 -13.411 1.00 14.22 C ATOM 278 CD1 LEU A 17 11.131 -4.239 -13.098 1.00 62.31 C ATOM 279 CD2 LEU A 17 12.619 -2.477 -12.130 1.00 52.10 C ATOM 0 H LEU A 17 13.942 -4.517 -12.258 1.00 72.21 H new ATOM 0 HA LEU A 17 12.736 -5.589 -14.531 1.00 31.25 H new ATOM 0 HB2 LEU A 17 14.038 -2.870 -14.156 1.00 62.20 H new ATOM 0 HB3 LEU A 17 12.852 -3.277 -15.379 1.00 62.20 H new ATOM 0 HG LEU A 17 11.451 -2.293 -13.906 1.00 14.22 H new ATOM 0 HD11 LEU A 17 10.339 -3.915 -12.423 1.00 62.31 H new ATOM 0 HD12 LEU A 17 10.690 -4.614 -14.022 1.00 62.31 H new ATOM 0 HD13 LEU A 17 11.710 -5.032 -12.624 1.00 62.31 H new ATOM 0 HD21 LEU A 17 11.806 -2.179 -11.469 1.00 52.10 H new ATOM 0 HD22 LEU A 17 13.235 -3.226 -11.632 1.00 52.10 H new ATOM 0 HD23 LEU A 17 13.229 -1.606 -12.370 1.00 52.10 H new ATOM 291 N VAL A 18 15.800 -4.487 -15.155 1.00 33.41 N ATOM 292 CA VAL A 18 16.942 -4.652 -16.047 1.00 35.15 C ATOM 293 C VAL A 18 17.361 -6.115 -16.138 1.00 11.02 C ATOM 294 O VAL A 18 17.850 -6.568 -17.173 1.00 51.30 O ATOM 295 CB VAL A 18 18.145 -3.813 -15.578 1.00 50.43 C ATOM 296 CG1 VAL A 18 18.691 -4.349 -14.264 1.00 2.12 C ATOM 297 CG2 VAL A 18 19.228 -3.792 -16.646 1.00 71.45 C ATOM 0 H VAL A 18 15.920 -3.764 -14.446 1.00 33.41 H new ATOM 0 HA VAL A 18 16.628 -4.305 -17.032 1.00 35.15 H new ATOM 0 HB VAL A 18 17.809 -2.789 -15.413 1.00 50.43 H new ATOM 0 HG11 VAL A 18 19.541 -3.743 -13.949 1.00 2.12 H new ATOM 0 HG12 VAL A 18 17.913 -4.307 -13.502 1.00 2.12 H new ATOM 0 HG13 VAL A 18 19.012 -5.382 -14.398 1.00 2.12 H new ATOM 0 HG21 VAL A 18 20.071 -3.195 -16.298 1.00 71.45 H new ATOM 0 HG22 VAL A 18 19.563 -4.810 -16.845 1.00 71.45 H new ATOM 0 HG23 VAL A 18 18.828 -3.356 -17.561 1.00 71.45 H new ATOM 307 N ARG A 19 17.166 -6.850 -15.048 1.00 0.23 N ATOM 308 CA ARG A 19 17.525 -8.262 -15.004 1.00 72.22 C ATOM 309 C ARG A 19 16.573 -9.092 -15.861 1.00 52.42 C ATOM 310 O ARG A 19 16.988 -10.038 -16.529 1.00 62.25 O ATOM 311 CB ARG A 19 17.504 -8.771 -13.562 1.00 23.32 C ATOM 312 CG ARG A 19 18.819 -8.569 -12.826 1.00 33.12 C ATOM 313 CD ARG A 19 18.662 -8.802 -11.331 1.00 70.33 C ATOM 314 NE ARG A 19 18.030 -10.086 -11.041 1.00 60.51 N ATOM 315 CZ ARG A 19 17.776 -10.519 -9.811 1.00 72.11 C ATOM 316 NH1 ARG A 19 18.098 -9.774 -8.763 1.00 13.21 N ATOM 317 NH2 ARG A 19 17.198 -11.699 -9.628 1.00 31.41 N ATOM 0 H ARG A 19 16.761 -6.491 -14.183 1.00 0.23 H new ATOM 0 HA ARG A 19 18.533 -8.367 -15.405 1.00 72.22 H new ATOM 0 HB2 ARG A 19 16.710 -8.261 -13.017 1.00 23.32 H new ATOM 0 HB3 ARG A 19 17.258 -9.833 -13.564 1.00 23.32 H new ATOM 0 HG2 ARG A 19 19.569 -9.252 -13.225 1.00 33.12 H new ATOM 0 HG3 ARG A 19 19.184 -7.557 -13.001 1.00 33.12 H new ATOM 0 HD2 ARG A 19 19.641 -8.764 -10.853 1.00 70.33 H new ATOM 0 HD3 ARG A 19 18.065 -7.998 -10.900 1.00 70.33 H new ATOM 0 HE ARG A 19 17.769 -10.683 -11.826 1.00 60.51 H new ATOM 0 HH11 ARG A 19 18.542 -8.866 -8.900 1.00 13.21 H new ATOM 0 HH12 ARG A 19 17.902 -10.109 -7.820 1.00 13.21 H new ATOM 0 HH21 ARG A 19 16.948 -12.275 -10.432 1.00 31.41 H new ATOM 0 HH22 ARG A 19 17.003 -12.031 -8.683 1.00 31.41 H new ATOM 331 N SER A 20 15.294 -8.729 -15.836 1.00 22.41 N ATOM 332 CA SER A 20 14.282 -9.442 -16.607 1.00 24.52 C ATOM 333 C SER A 20 14.572 -9.348 -18.102 1.00 14.42 C ATOM 334 O SER A 20 14.216 -10.240 -18.873 1.00 22.02 O ATOM 335 CB SER A 20 12.892 -8.879 -16.308 1.00 10.40 C ATOM 336 OG SER A 20 12.585 -7.795 -17.168 1.00 44.12 O ATOM 0 H SER A 20 14.934 -7.946 -15.290 1.00 22.41 H new ATOM 0 HA SER A 20 14.311 -10.492 -16.315 1.00 24.52 H new ATOM 0 HB2 SER A 20 12.145 -9.664 -16.426 1.00 10.40 H new ATOM 0 HB3 SER A 20 12.846 -8.549 -15.270 1.00 10.40 H new ATOM 0 HG SER A 20 13.189 -7.046 -16.979 1.00 44.12 H new ATOM 342 N LEU A 21 15.219 -8.260 -18.505 1.00 12.33 N ATOM 343 CA LEU A 21 15.557 -8.046 -19.908 1.00 30.14 C ATOM 344 C LEU A 21 17.047 -8.267 -20.148 1.00 72.44 C ATOM 345 O LEU A 21 17.860 -8.139 -19.233 1.00 34.14 O ATOM 346 CB LEU A 21 15.164 -6.632 -20.338 1.00 13.12 C ATOM 347 CG LEU A 21 16.007 -5.495 -19.759 1.00 31.32 C ATOM 348 CD1 LEU A 21 16.782 -4.791 -20.861 1.00 44.11 C ATOM 349 CD2 LEU A 21 15.126 -4.507 -19.008 1.00 42.24 C ATOM 0 H LEU A 21 15.520 -7.512 -17.880 1.00 12.33 H new ATOM 0 HA LEU A 21 15.000 -8.768 -20.505 1.00 30.14 H new ATOM 0 HB2 LEU A 21 15.215 -6.577 -21.425 1.00 13.12 H new ATOM 0 HB3 LEU A 21 14.124 -6.465 -20.058 1.00 13.12 H new ATOM 0 HG LEU A 21 16.722 -5.920 -19.055 1.00 31.32 H new ATOM 0 HD11 LEU A 21 17.376 -3.985 -20.430 1.00 44.11 H new ATOM 0 HD12 LEU A 21 17.442 -5.504 -21.354 1.00 44.11 H new ATOM 0 HD13 LEU A 21 16.084 -4.378 -21.590 1.00 44.11 H new ATOM 0 HD21 LEU A 21 15.743 -3.705 -18.603 1.00 42.24 H new ATOM 0 HD22 LEU A 21 14.387 -4.087 -19.690 1.00 42.24 H new ATOM 0 HD23 LEU A 21 14.617 -5.020 -18.192 1.00 42.24 H new ATOM 361 N ASP A 22 17.398 -8.598 -21.386 1.00 71.31 N ATOM 362 CA ASP A 22 18.791 -8.834 -21.749 1.00 34.14 C ATOM 363 C ASP A 22 18.917 -9.166 -23.232 1.00 62.22 C ATOM 364 O ASP A 22 19.275 -10.285 -23.599 1.00 72.54 O ATOM 365 CB ASP A 22 19.373 -9.971 -20.907 1.00 45.33 C ATOM 366 CG ASP A 22 20.854 -9.789 -20.634 1.00 55.52 C ATOM 367 OD1 ASP A 22 21.556 -9.247 -21.513 1.00 23.22 O ATOM 368 OD2 ASP A 22 21.309 -10.188 -19.542 1.00 63.10 O ATOM 0 H ASP A 22 16.737 -8.709 -22.155 1.00 71.31 H new ATOM 0 HA ASP A 22 19.353 -7.921 -21.551 1.00 34.14 H new ATOM 0 HB2 ASP A 22 18.836 -10.030 -19.960 1.00 45.33 H new ATOM 0 HB3 ASP A 22 19.215 -10.919 -21.422 1.00 45.33 H new ATOM 373 N ARG A 23 18.621 -8.187 -24.080 1.00 14.40 N ATOM 374 CA ARG A 23 18.699 -8.376 -25.523 1.00 50.35 C ATOM 375 C ARG A 23 19.458 -7.227 -26.182 1.00 32.22 C ATOM 376 O ARG A 23 18.898 -6.434 -26.939 1.00 61.33 O ATOM 377 CB ARG A 23 17.295 -8.483 -26.122 1.00 63.21 C ATOM 378 CG ARG A 23 16.396 -9.469 -25.394 1.00 65.20 C ATOM 379 CD ARG A 23 16.417 -10.837 -26.058 1.00 25.22 C ATOM 380 NE ARG A 23 17.715 -11.493 -25.920 1.00 2.25 N ATOM 381 CZ ARG A 23 17.987 -12.696 -26.413 1.00 0.22 C ATOM 382 NH1 ARG A 23 17.057 -13.371 -27.074 1.00 14.34 N ATOM 383 NH2 ARG A 23 19.192 -13.226 -26.246 1.00 10.20 N ATOM 0 H ARG A 23 18.325 -7.254 -23.792 1.00 14.40 H new ATOM 0 HA ARG A 23 19.240 -9.303 -25.714 1.00 50.35 H new ATOM 0 HB2 ARG A 23 16.827 -7.499 -26.108 1.00 63.21 H new ATOM 0 HB3 ARG A 23 17.377 -8.782 -27.167 1.00 63.21 H new ATOM 0 HG2 ARG A 23 16.720 -9.561 -24.357 1.00 65.20 H new ATOM 0 HG3 ARG A 23 15.375 -9.088 -25.376 1.00 65.20 H new ATOM 0 HD2 ARG A 23 15.644 -11.466 -25.616 1.00 25.22 H new ATOM 0 HD3 ARG A 23 16.175 -10.730 -27.116 1.00 25.22 H new ATOM 0 HE ARG A 23 18.453 -11.000 -25.417 1.00 2.25 H new ATOM 0 HH11 ARG A 23 16.130 -12.967 -27.205 1.00 14.34 H new ATOM 0 HH12 ARG A 23 17.269 -14.295 -27.452 1.00 14.34 H new ATOM 0 HH21 ARG A 23 19.910 -12.710 -25.739 1.00 10.20 H new ATOM 0 HH22 ARG A 23 19.400 -14.150 -26.625 1.00 10.20 H new ATOM 397 N PRO A 24 20.763 -7.134 -25.887 1.00 11.13 N ATOM 398 CA PRO A 24 21.626 -6.086 -26.439 1.00 65.13 C ATOM 399 C PRO A 24 21.877 -6.269 -27.932 1.00 53.34 C ATOM 400 O PRO A 24 22.860 -6.891 -28.334 1.00 14.01 O ATOM 401 CB PRO A 24 22.930 -6.251 -25.655 1.00 3.55 C ATOM 402 CG PRO A 24 22.936 -7.677 -25.223 1.00 53.53 C ATOM 403 CD PRO A 24 21.496 -8.044 -24.991 1.00 62.44 C ATOM 0 HA PRO A 24 21.177 -5.097 -26.344 1.00 65.13 H new ATOM 0 HB2 PRO A 24 23.796 -6.022 -26.275 1.00 3.55 H new ATOM 0 HB3 PRO A 24 22.965 -5.578 -24.798 1.00 3.55 H new ATOM 0 HG2 PRO A 24 23.383 -8.314 -25.986 1.00 53.53 H new ATOM 0 HG3 PRO A 24 23.524 -7.807 -24.314 1.00 53.53 H new ATOM 0 HD2 PRO A 24 21.303 -9.089 -25.234 1.00 62.44 H new ATOM 0 HD3 PRO A 24 21.208 -7.901 -23.950 1.00 62.44 H new ATOM 411 N GLN A 25 20.982 -5.722 -28.749 1.00 32.11 N ATOM 412 CA GLN A 25 21.107 -5.826 -30.198 1.00 11.20 C ATOM 413 C GLN A 25 22.016 -4.731 -30.746 1.00 2.34 C ATOM 414 O GLN A 25 22.943 -5.005 -31.507 1.00 42.50 O ATOM 415 CB GLN A 25 19.729 -5.739 -30.857 1.00 44.45 C ATOM 416 CG GLN A 25 19.122 -7.094 -31.180 1.00 24.40 C ATOM 417 CD GLN A 25 17.792 -7.318 -30.488 1.00 4.04 C ATOM 418 OE1 GLN A 25 17.835 -7.531 -29.178 1.00 71.11 O flip ATOM 419 NE2 GLN A 25 16.738 -7.300 -31.123 1.00 1.55 N flip ATOM 0 H GLN A 25 20.163 -5.203 -28.432 1.00 32.11 H new ATOM 0 HA GLN A 25 21.553 -6.793 -30.431 1.00 11.20 H new ATOM 0 HB2 GLN A 25 19.053 -5.196 -30.196 1.00 44.45 H new ATOM 0 HB3 GLN A 25 19.811 -5.159 -31.776 1.00 44.45 H new ATOM 0 HG2 GLN A 25 18.985 -7.179 -32.258 1.00 24.40 H new ATOM 0 HG3 GLN A 25 19.818 -7.879 -30.884 1.00 24.40 H new ATOM 0 HE21 GLN A 25 16.752 -7.133 -32.129 1.00 1.55 H new ATOM 0 HE22 GLN A 25 15.851 -7.452 -30.643 1.00 1.55 H new ATOM 428 N GLU A 26 21.743 -3.490 -30.353 1.00 24.32 N ATOM 429 CA GLU A 26 22.537 -2.354 -30.806 1.00 62.22 C ATOM 430 C GLU A 26 23.869 -2.291 -30.065 1.00 4.33 C ATOM 431 O GLU A 26 24.927 -2.149 -30.678 1.00 34.05 O ATOM 432 CB GLU A 26 21.764 -1.050 -30.601 1.00 43.44 C ATOM 433 CG GLU A 26 21.254 -0.435 -31.894 1.00 34.40 C ATOM 434 CD GLU A 26 19.778 -0.701 -32.123 1.00 2.42 C ATOM 435 OE1 GLU A 26 19.326 -1.829 -31.838 1.00 24.14 O ATOM 436 OE2 GLU A 26 19.075 0.222 -32.587 1.00 65.42 O ATOM 0 H GLU A 26 20.979 -3.247 -29.723 1.00 24.32 H new ATOM 0 HA GLU A 26 22.739 -2.485 -31.869 1.00 62.22 H new ATOM 0 HB2 GLU A 26 20.918 -1.239 -29.940 1.00 43.44 H new ATOM 0 HB3 GLU A 26 22.409 -0.331 -30.096 1.00 43.44 H new ATOM 0 HG2 GLU A 26 21.427 0.641 -31.873 1.00 34.40 H new ATOM 0 HG3 GLU A 26 21.826 -0.834 -32.732 1.00 34.40 H new ATOM 443 N ASN A 27 23.809 -2.396 -28.741 1.00 72.01 N ATOM 444 CA ASN A 27 25.010 -2.349 -27.915 1.00 33.51 C ATOM 445 C ASN A 27 25.842 -1.111 -28.234 1.00 14.13 C ATOM 446 O ASN A 27 26.993 -1.215 -28.655 1.00 31.04 O ATOM 447 CB ASN A 27 25.850 -3.610 -28.128 1.00 34.51 C ATOM 448 CG ASN A 27 26.953 -3.751 -27.097 1.00 31.20 C ATOM 449 OD1 ASN A 27 28.119 -3.474 -27.378 1.00 21.42 O ATOM 450 ND2 ASN A 27 26.588 -4.184 -25.896 1.00 1.13 N ATOM 0 H ASN A 27 22.942 -2.514 -28.218 1.00 72.01 H new ATOM 0 HA ASN A 27 24.701 -2.298 -26.871 1.00 33.51 H new ATOM 0 HB2 ASN A 27 25.203 -4.486 -28.086 1.00 34.51 H new ATOM 0 HB3 ASN A 27 26.289 -3.586 -29.125 1.00 34.51 H new ATOM 0 HD21 ASN A 27 27.286 -4.299 -25.161 1.00 1.13 H new ATOM 0 HD22 ASN A 27 25.609 -4.402 -25.708 1.00 1.13 H new ATOM 457 N GLY A 28 25.250 0.062 -28.029 1.00 74.01 N ATOM 458 CA GLY A 28 25.950 1.304 -28.299 1.00 63.32 C ATOM 459 C GLY A 28 25.263 2.504 -27.678 1.00 64.14 C ATOM 460 O GLY A 28 25.922 3.403 -27.154 1.00 51.21 O ATOM 0 H GLY A 28 24.298 0.174 -27.681 1.00 74.01 H new ATOM 0 HA2 GLY A 28 26.968 1.234 -27.916 1.00 63.32 H new ATOM 0 HA3 GLY A 28 26.024 1.449 -29.377 1.00 63.32 H new ATOM 464 N LEU A 29 23.936 2.520 -27.738 1.00 45.41 N ATOM 465 CA LEU A 29 23.159 3.621 -27.178 1.00 60.35 C ATOM 466 C LEU A 29 21.670 3.290 -27.178 1.00 11.22 C ATOM 467 O LEU A 29 20.947 3.635 -26.243 1.00 22.25 O ATOM 468 CB LEU A 29 23.408 4.903 -27.974 1.00 0.42 C ATOM 469 CG LEU A 29 22.521 6.097 -27.618 1.00 31.13 C ATOM 470 CD1 LEU A 29 23.306 7.395 -27.723 1.00 15.41 C ATOM 471 CD2 LEU A 29 21.295 6.138 -28.518 1.00 61.24 C ATOM 0 H LEU A 29 23.376 1.784 -28.168 1.00 45.41 H new ATOM 0 HA LEU A 29 23.479 3.773 -26.147 1.00 60.35 H new ATOM 0 HB2 LEU A 29 24.449 5.196 -27.837 1.00 0.42 H new ATOM 0 HB3 LEU A 29 23.276 4.681 -29.033 1.00 0.42 H new ATOM 0 HG LEU A 29 22.186 5.982 -26.587 1.00 31.13 H new ATOM 0 HD11 LEU A 29 22.659 8.233 -27.466 1.00 15.41 H new ATOM 0 HD12 LEU A 29 24.151 7.365 -27.036 1.00 15.41 H new ATOM 0 HD13 LEU A 29 23.671 7.518 -28.743 1.00 15.41 H new ATOM 0 HD21 LEU A 29 20.676 6.994 -28.250 1.00 61.24 H new ATOM 0 HD22 LEU A 29 21.610 6.229 -29.558 1.00 61.24 H new ATOM 0 HD23 LEU A 29 20.720 5.221 -28.392 1.00 61.24 H new ATOM 483 N PHE A 30 21.218 2.618 -28.231 1.00 52.34 N ATOM 484 CA PHE A 30 19.815 2.240 -28.352 1.00 73.41 C ATOM 485 C PHE A 30 19.442 1.194 -27.305 1.00 54.12 C ATOM 486 O PHE A 30 18.263 0.924 -27.074 1.00 50.43 O ATOM 487 CB PHE A 30 19.530 1.698 -29.754 1.00 75.04 C ATOM 488 CG PHE A 30 18.942 2.721 -30.684 1.00 44.03 C ATOM 489 CD1 PHE A 30 19.693 3.808 -31.102 1.00 12.52 C ATOM 490 CD2 PHE A 30 17.641 2.595 -31.141 1.00 55.12 C ATOM 491 CE1 PHE A 30 19.155 4.752 -31.957 1.00 34.43 C ATOM 492 CE2 PHE A 30 17.097 3.535 -31.997 1.00 21.03 C ATOM 493 CZ PHE A 30 17.856 4.614 -32.406 1.00 13.13 C ATOM 0 H PHE A 30 21.803 2.324 -29.013 1.00 52.34 H new ATOM 0 HA PHE A 30 19.209 3.130 -28.184 1.00 73.41 H new ATOM 0 HB2 PHE A 30 20.457 1.318 -30.184 1.00 75.04 H new ATOM 0 HB3 PHE A 30 18.845 0.853 -29.676 1.00 75.04 H new ATOM 0 HD1 PHE A 30 20.710 3.919 -30.756 1.00 12.52 H new ATOM 0 HD2 PHE A 30 17.044 1.752 -30.825 1.00 55.12 H new ATOM 0 HE1 PHE A 30 19.750 5.596 -32.273 1.00 34.43 H new ATOM 0 HE2 PHE A 30 16.080 3.426 -32.345 1.00 21.03 H new ATOM 0 HZ PHE A 30 17.434 5.349 -33.076 1.00 13.13 H new ATOM 503 N SER A 31 20.455 0.608 -26.675 1.00 51.42 N ATOM 504 CA SER A 31 20.235 -0.411 -25.656 1.00 14.22 C ATOM 505 C SER A 31 21.311 -0.342 -24.577 1.00 65.13 C ATOM 506 O SER A 31 21.539 -1.309 -23.851 1.00 0.02 O ATOM 507 CB SER A 31 20.221 -1.803 -26.291 1.00 11.32 C ATOM 508 OG SER A 31 19.001 -2.473 -26.025 1.00 11.43 O ATOM 0 H SER A 31 21.436 0.822 -26.853 1.00 51.42 H new ATOM 0 HA SER A 31 19.267 -0.222 -25.191 1.00 14.22 H new ATOM 0 HB2 SER A 31 20.364 -1.716 -27.368 1.00 11.32 H new ATOM 0 HB3 SER A 31 21.054 -2.391 -25.905 1.00 11.32 H new ATOM 0 HG SER A 31 19.017 -3.359 -26.443 1.00 11.43 H new ATOM 514 N GLN A 32 21.970 0.808 -24.480 1.00 43.23 N ATOM 515 CA GLN A 32 23.024 1.003 -23.491 1.00 52.53 C ATOM 516 C GLN A 32 23.201 2.484 -23.170 1.00 63.22 C ATOM 517 O GLN A 32 22.501 3.336 -23.717 1.00 61.00 O ATOM 518 CB GLN A 32 24.343 0.418 -23.998 1.00 31.41 C ATOM 519 CG GLN A 32 24.945 -0.621 -23.065 1.00 43.14 C ATOM 520 CD GLN A 32 24.132 -1.899 -23.013 1.00 24.42 C ATOM 521 OE1 GLN A 32 23.960 -2.540 -24.163 1.00 32.43 O flip ATOM 522 NE2 GLN A 32 23.664 -2.307 -21.950 1.00 43.33 N flip ATOM 0 H GLN A 32 21.793 1.618 -25.074 1.00 43.23 H new ATOM 0 HA GLN A 32 22.732 0.484 -22.578 1.00 52.53 H new ATOM 0 HB2 GLN A 32 24.178 -0.035 -24.975 1.00 31.41 H new ATOM 0 HB3 GLN A 32 25.060 1.227 -24.139 1.00 31.41 H new ATOM 0 HG2 GLN A 32 25.959 -0.853 -23.391 1.00 43.14 H new ATOM 0 HG3 GLN A 32 25.021 -0.202 -22.062 1.00 43.14 H new ATOM 0 HE21 GLN A 32 23.821 -1.783 -21.089 1.00 43.33 H new ATOM 0 HE22 GLN A 32 23.120 -3.169 -21.930 1.00 43.33 H new ATOM 531 N ASP A 33 24.141 2.782 -22.280 1.00 43.32 N ATOM 532 CA ASP A 33 24.412 4.160 -21.886 1.00 55.24 C ATOM 533 C ASP A 33 25.600 4.723 -22.660 1.00 54.40 C ATOM 534 O ASP A 33 26.732 4.268 -22.497 1.00 52.24 O ATOM 535 CB ASP A 33 24.682 4.240 -20.383 1.00 72.22 C ATOM 536 CG ASP A 33 23.411 4.150 -19.561 1.00 23.21 C ATOM 537 OD1 ASP A 33 22.508 4.986 -19.772 1.00 4.15 O ATOM 538 OD2 ASP A 33 23.320 3.244 -18.706 1.00 63.31 O ATOM 0 H ASP A 33 24.728 2.088 -21.818 1.00 43.32 H new ATOM 0 HA ASP A 33 23.532 4.759 -22.121 1.00 55.24 H new ATOM 0 HB2 ASP A 33 25.356 3.433 -20.094 1.00 72.22 H new ATOM 0 HB3 ASP A 33 25.191 5.177 -20.158 1.00 72.22 H new ATOM 543 N VAL A 34 25.333 5.716 -23.503 1.00 45.11 N ATOM 544 CA VAL A 34 26.380 6.342 -24.302 1.00 62.33 C ATOM 545 C VAL A 34 27.522 6.837 -23.422 1.00 13.34 C ATOM 546 O VAL A 34 28.658 6.972 -23.877 1.00 3.12 O ATOM 547 CB VAL A 34 25.829 7.523 -25.123 1.00 4.01 C ATOM 548 CG1 VAL A 34 25.129 8.523 -24.216 1.00 1.13 C ATOM 549 CG2 VAL A 34 26.947 8.194 -25.907 1.00 23.30 C ATOM 0 H VAL A 34 24.401 6.104 -23.650 1.00 45.11 H new ATOM 0 HA VAL A 34 26.756 5.579 -24.984 1.00 62.33 H new ATOM 0 HB VAL A 34 25.097 7.139 -25.834 1.00 4.01 H new ATOM 0 HG11 VAL A 34 24.746 9.350 -24.814 1.00 1.13 H new ATOM 0 HG12 VAL A 34 24.302 8.032 -23.704 1.00 1.13 H new ATOM 0 HG13 VAL A 34 25.837 8.904 -23.480 1.00 1.13 H new ATOM 0 HG21 VAL A 34 26.540 9.026 -26.481 1.00 23.30 H new ATOM 0 HG22 VAL A 34 27.704 8.566 -25.216 1.00 23.30 H new ATOM 0 HG23 VAL A 34 27.400 7.471 -26.586 1.00 23.30 H new ATOM 559 N LEU A 35 27.212 7.107 -22.158 1.00 45.12 N ATOM 560 CA LEU A 35 28.213 7.588 -21.211 1.00 71.25 C ATOM 561 C LEU A 35 29.301 6.542 -20.992 1.00 4.04 C ATOM 562 O LEU A 35 30.401 6.861 -20.538 1.00 44.14 O ATOM 563 CB LEU A 35 27.553 7.942 -19.878 1.00 30.33 C ATOM 564 CG LEU A 35 28.048 9.221 -19.202 1.00 65.12 C ATOM 565 CD1 LEU A 35 27.370 9.410 -17.854 1.00 63.12 C ATOM 566 CD2 LEU A 35 29.561 9.187 -19.040 1.00 62.11 C ATOM 0 H LEU A 35 26.276 7.001 -21.766 1.00 45.12 H new ATOM 0 HA LEU A 35 28.674 8.483 -21.629 1.00 71.25 H new ATOM 0 HB2 LEU A 35 26.479 8.033 -20.040 1.00 30.33 H new ATOM 0 HB3 LEU A 35 27.702 7.110 -19.190 1.00 30.33 H new ATOM 0 HG LEU A 35 27.789 10.068 -19.837 1.00 65.12 H new ATOM 0 HD11 LEU A 35 27.735 10.325 -17.388 1.00 63.12 H new ATOM 0 HD12 LEU A 35 26.292 9.480 -17.996 1.00 63.12 H new ATOM 0 HD13 LEU A 35 27.597 8.560 -17.210 1.00 63.12 H new ATOM 0 HD21 LEU A 35 29.896 10.105 -18.557 1.00 62.11 H new ATOM 0 HD22 LEU A 35 29.842 8.331 -18.427 1.00 62.11 H new ATOM 0 HD23 LEU A 35 30.030 9.101 -20.020 1.00 62.11 H new ATOM 578 N LEU A 36 28.989 5.293 -21.317 1.00 74.24 N ATOM 579 CA LEU A 36 29.941 4.199 -21.158 1.00 11.21 C ATOM 580 C LEU A 36 30.624 3.875 -22.482 1.00 63.34 C ATOM 581 O LEU A 36 31.050 2.743 -22.710 1.00 60.24 O ATOM 582 CB LEU A 36 29.233 2.955 -20.618 1.00 2.21 C ATOM 583 CG LEU A 36 28.862 2.985 -19.135 1.00 14.01 C ATOM 584 CD1 LEU A 36 27.666 3.896 -18.902 1.00 60.44 C ATOM 585 CD2 LEU A 36 28.570 1.579 -18.630 1.00 1.52 C ATOM 0 H LEU A 36 28.083 5.012 -21.693 1.00 74.24 H new ATOM 0 HA LEU A 36 30.703 4.514 -20.445 1.00 11.21 H new ATOM 0 HB2 LEU A 36 28.322 2.800 -21.197 1.00 2.21 H new ATOM 0 HB3 LEU A 36 29.874 2.091 -20.794 1.00 2.21 H new ATOM 0 HG LEU A 36 29.709 3.382 -18.576 1.00 14.01 H new ATOM 0 HD11 LEU A 36 27.417 3.905 -17.841 1.00 60.44 H new ATOM 0 HD12 LEU A 36 27.911 4.908 -19.226 1.00 60.44 H new ATOM 0 HD13 LEU A 36 26.813 3.529 -19.472 1.00 60.44 H new ATOM 0 HD21 LEU A 36 28.308 1.619 -17.573 1.00 1.52 H new ATOM 0 HD22 LEU A 36 27.739 1.155 -19.194 1.00 1.52 H new ATOM 0 HD23 LEU A 36 29.454 0.954 -18.761 1.00 1.52 H new ATOM 597 N GLN A 37 30.727 4.876 -23.350 1.00 52.04 N ATOM 598 CA GLN A 37 31.360 4.697 -24.651 1.00 62.34 C ATOM 599 C GLN A 37 32.751 5.323 -24.671 1.00 33.01 C ATOM 600 O GLN A 37 33.760 4.618 -24.663 1.00 41.04 O ATOM 601 CB GLN A 37 30.495 5.312 -25.753 1.00 1.34 C ATOM 602 CG GLN A 37 29.081 4.757 -25.797 1.00 71.54 C ATOM 603 CD GLN A 37 29.045 3.280 -26.137 1.00 72.51 C ATOM 604 OE1 GLN A 37 29.906 2.776 -26.859 1.00 34.50 O ATOM 605 NE2 GLN A 37 28.045 2.576 -25.617 1.00 45.51 N ATOM 0 H GLN A 37 30.380 5.819 -23.176 1.00 52.04 H new ATOM 0 HA GLN A 37 31.460 3.627 -24.833 1.00 62.34 H new ATOM 0 HB2 GLN A 37 30.448 6.391 -25.607 1.00 1.34 H new ATOM 0 HB3 GLN A 37 30.974 5.141 -26.717 1.00 1.34 H new ATOM 0 HG2 GLN A 37 28.602 4.915 -24.831 1.00 71.54 H new ATOM 0 HG3 GLN A 37 28.500 5.310 -26.535 1.00 71.54 H new ATOM 0 HE21 GLN A 37 27.353 3.034 -25.024 1.00 45.51 H new ATOM 0 HE22 GLN A 37 27.969 1.578 -25.811 1.00 45.51 H new ATOM 614 N TYR A 38 32.796 6.650 -24.696 1.00 53.34 N ATOM 615 CA TYR A 38 34.063 7.372 -24.720 1.00 34.31 C ATOM 616 C TYR A 38 33.938 8.715 -24.008 1.00 53.32 C ATOM 617 O TYR A 38 32.881 9.346 -23.999 1.00 54.41 O ATOM 618 CB TYR A 38 34.524 7.587 -26.162 1.00 62.02 C ATOM 619 CG TYR A 38 35.552 6.579 -26.626 1.00 55.10 C ATOM 620 CD1 TYR A 38 35.165 5.327 -27.090 1.00 3.44 C ATOM 621 CD2 TYR A 38 36.908 6.878 -26.600 1.00 21.12 C ATOM 622 CE1 TYR A 38 36.100 4.403 -27.514 1.00 2.02 C ATOM 623 CE2 TYR A 38 37.850 5.960 -27.023 1.00 51.34 C ATOM 624 CZ TYR A 38 37.441 4.724 -27.479 1.00 41.42 C ATOM 625 OH TYR A 38 38.376 3.807 -27.901 1.00 3.03 O ATOM 0 H TYR A 38 31.970 7.248 -24.700 1.00 53.34 H new ATOM 0 HA TYR A 38 34.805 6.771 -24.195 1.00 34.31 H new ATOM 0 HB2 TYR A 38 33.658 7.540 -26.822 1.00 62.02 H new ATOM 0 HB3 TYR A 38 34.942 8.589 -26.255 1.00 62.02 H new ATOM 0 HD1 TYR A 38 34.116 5.073 -27.119 1.00 3.44 H new ATOM 0 HD2 TYR A 38 37.232 7.845 -26.243 1.00 21.12 H new ATOM 0 HE1 TYR A 38 35.783 3.434 -27.871 1.00 2.02 H new ATOM 0 HE2 TYR A 38 38.901 6.209 -26.997 1.00 51.34 H new ATOM 0 HH TYR A 38 39.273 4.191 -27.813 1.00 3.03 H new ATOM 635 N PRO A 39 35.044 9.165 -23.397 1.00 32.21 N ATOM 636 CA PRO A 39 35.086 10.438 -22.672 1.00 15.12 C ATOM 637 C PRO A 39 34.995 11.640 -23.606 1.00 13.25 C ATOM 638 O PRO A 39 36.001 12.282 -23.904 1.00 51.50 O ATOM 639 CB PRO A 39 36.448 10.405 -21.974 1.00 74.42 C ATOM 640 CG PRO A 39 37.281 9.498 -22.813 1.00 54.11 C ATOM 641 CD PRO A 39 36.339 8.465 -23.367 1.00 70.10 C ATOM 0 HA PRO A 39 34.244 10.545 -21.988 1.00 15.12 H new ATOM 0 HB2 PRO A 39 36.886 11.401 -21.913 1.00 74.42 H new ATOM 0 HB3 PRO A 39 36.361 10.032 -20.954 1.00 74.42 H new ATOM 0 HG2 PRO A 39 37.771 10.049 -23.615 1.00 54.11 H new ATOM 0 HG3 PRO A 39 38.068 9.031 -22.220 1.00 54.11 H new ATOM 0 HD2 PRO A 39 36.642 8.137 -24.362 1.00 70.10 H new ATOM 0 HD3 PRO A 39 36.301 7.577 -22.737 1.00 70.10 H new ATOM 649 N GLU A 40 33.783 11.939 -24.063 1.00 35.53 N ATOM 650 CA GLU A 40 33.562 13.064 -24.963 1.00 41.11 C ATOM 651 C GLU A 40 32.071 13.318 -25.161 1.00 55.25 C ATOM 652 O GLU A 40 31.631 14.465 -25.253 1.00 2.35 O ATOM 653 CB GLU A 40 34.230 12.803 -26.315 1.00 3.13 C ATOM 654 CG GLU A 40 33.909 11.438 -26.899 1.00 72.11 C ATOM 655 CD GLU A 40 35.135 10.735 -27.449 1.00 10.14 C ATOM 656 OE1 GLU A 40 36.176 10.733 -26.758 1.00 73.52 O ATOM 657 OE2 GLU A 40 35.054 10.188 -28.568 1.00 42.43 O ATOM 0 H GLU A 40 32.939 11.418 -23.825 1.00 35.53 H new ATOM 0 HA GLU A 40 34.007 13.950 -24.511 1.00 41.11 H new ATOM 0 HB2 GLU A 40 33.917 13.573 -27.020 1.00 3.13 H new ATOM 0 HB3 GLU A 40 35.310 12.895 -26.201 1.00 3.13 H new ATOM 0 HG2 GLU A 40 33.453 10.816 -26.129 1.00 72.11 H new ATOM 0 HG3 GLU A 40 33.173 11.552 -27.695 1.00 72.11 H new ATOM 664 N LEU A 41 31.297 12.240 -25.228 1.00 52.42 N ATOM 665 CA LEU A 41 29.854 12.345 -25.416 1.00 71.04 C ATOM 666 C LEU A 41 29.117 12.152 -24.095 1.00 0.02 C ATOM 667 O LEU A 41 27.912 11.905 -24.075 1.00 54.13 O ATOM 668 CB LEU A 41 29.376 11.309 -26.436 1.00 3.24 C ATOM 669 CG LEU A 41 29.877 9.880 -26.225 1.00 32.21 C ATOM 670 CD1 LEU A 41 31.255 9.700 -26.842 1.00 41.30 C ATOM 671 CD2 LEU A 41 29.906 9.538 -24.742 1.00 73.03 C ATOM 0 H LEU A 41 31.644 11.284 -25.155 1.00 52.42 H new ATOM 0 HA LEU A 41 29.633 13.344 -25.791 1.00 71.04 H new ATOM 0 HB2 LEU A 41 28.286 11.296 -26.427 1.00 3.24 H new ATOM 0 HB3 LEU A 41 29.683 11.638 -27.429 1.00 3.24 H new ATOM 0 HG LEU A 41 29.187 9.197 -26.722 1.00 32.21 H new ATOM 0 HD11 LEU A 41 31.595 8.677 -26.682 1.00 41.30 H new ATOM 0 HD12 LEU A 41 31.204 9.902 -27.912 1.00 41.30 H new ATOM 0 HD13 LEU A 41 31.956 10.392 -26.375 1.00 41.30 H new ATOM 0 HD21 LEU A 41 30.265 8.517 -24.611 1.00 73.03 H new ATOM 0 HD22 LEU A 41 30.573 10.227 -24.223 1.00 73.03 H new ATOM 0 HD23 LEU A 41 28.901 9.625 -24.329 1.00 73.03 H new ATOM 683 N ALA A 42 29.850 12.269 -22.992 1.00 72.52 N ATOM 684 CA ALA A 42 29.265 12.111 -21.666 1.00 41.23 C ATOM 685 C ALA A 42 28.461 13.345 -21.271 1.00 52.01 C ATOM 686 O ALA A 42 27.545 13.264 -20.454 1.00 35.41 O ATOM 687 CB ALA A 42 30.353 11.837 -20.639 1.00 22.31 C ATOM 0 H ALA A 42 30.849 12.473 -22.991 1.00 72.52 H new ATOM 0 HA ALA A 42 28.585 11.260 -21.695 1.00 41.23 H new ATOM 0 HB1 ALA A 42 29.902 11.721 -19.653 1.00 22.31 H new ATOM 0 HB2 ALA A 42 30.883 10.922 -20.905 1.00 22.31 H new ATOM 0 HB3 ALA A 42 31.055 12.671 -20.621 1.00 22.31 H new ATOM 693 N GLU A 43 28.811 14.486 -21.856 1.00 52.41 N ATOM 694 CA GLU A 43 28.121 15.737 -21.563 1.00 2.25 C ATOM 695 C GLU A 43 26.720 15.741 -22.168 1.00 3.24 C ATOM 696 O GLU A 43 25.737 16.020 -21.482 1.00 1.53 O ATOM 697 CB GLU A 43 28.923 16.925 -22.098 1.00 2.32 C ATOM 698 CG GLU A 43 28.641 18.228 -21.369 1.00 11.23 C ATOM 699 CD GLU A 43 29.172 19.439 -22.111 1.00 50.02 C ATOM 700 OE1 GLU A 43 30.404 19.644 -22.108 1.00 54.42 O ATOM 701 OE2 GLU A 43 28.355 20.181 -22.696 1.00 11.25 O ATOM 0 H GLU A 43 29.567 14.570 -22.535 1.00 52.41 H new ATOM 0 HA GLU A 43 28.030 15.827 -20.481 1.00 2.25 H new ATOM 0 HB2 GLU A 43 29.986 16.699 -22.021 1.00 2.32 H new ATOM 0 HB3 GLU A 43 28.700 17.055 -23.157 1.00 2.32 H new ATOM 0 HG2 GLU A 43 27.565 18.336 -21.228 1.00 11.23 H new ATOM 0 HG3 GLU A 43 29.090 18.189 -20.377 1.00 11.23 H new ATOM 708 N SER A 44 26.638 15.430 -23.457 1.00 62.32 N ATOM 709 CA SER A 44 25.359 15.401 -24.157 1.00 1.42 C ATOM 710 C SER A 44 24.437 14.343 -23.560 1.00 15.35 C ATOM 711 O SER A 44 23.219 14.521 -23.510 1.00 42.32 O ATOM 712 CB SER A 44 25.574 15.125 -25.646 1.00 64.30 C ATOM 713 OG SER A 44 25.071 13.850 -26.006 1.00 23.22 O ATOM 0 H SER A 44 27.442 15.194 -24.038 1.00 62.32 H new ATOM 0 HA SER A 44 24.887 16.377 -24.040 1.00 1.42 H new ATOM 0 HB2 SER A 44 25.078 15.895 -26.237 1.00 64.30 H new ATOM 0 HB3 SER A 44 26.637 15.179 -25.879 1.00 64.30 H new ATOM 0 HG SER A 44 25.219 13.698 -26.963 1.00 23.22 H new ATOM 719 N TYR A 45 25.025 13.242 -23.107 1.00 62.10 N ATOM 720 CA TYR A 45 24.257 12.153 -22.515 1.00 23.10 C ATOM 721 C TYR A 45 23.310 12.676 -21.440 1.00 13.21 C ATOM 722 O TYR A 45 22.206 12.160 -21.262 1.00 71.33 O ATOM 723 CB TYR A 45 25.197 11.105 -21.916 1.00 71.02 C ATOM 724 CG TYR A 45 24.495 10.094 -21.037 1.00 43.25 C ATOM 725 CD1 TYR A 45 23.519 9.252 -21.556 1.00 4.12 C ATOM 726 CD2 TYR A 45 24.809 9.981 -19.689 1.00 23.44 C ATOM 727 CE1 TYR A 45 22.875 8.328 -20.756 1.00 64.24 C ATOM 728 CE2 TYR A 45 24.172 9.058 -18.882 1.00 15.11 C ATOM 729 CZ TYR A 45 23.205 8.234 -19.420 1.00 41.43 C ATOM 730 OH TYR A 45 22.567 7.314 -18.621 1.00 31.11 O ATOM 0 H TYR A 45 26.032 13.080 -23.138 1.00 62.10 H new ATOM 0 HA TYR A 45 23.663 11.691 -23.303 1.00 23.10 H new ATOM 0 HB2 TYR A 45 25.705 10.580 -22.725 1.00 71.02 H new ATOM 0 HB3 TYR A 45 25.966 11.610 -21.332 1.00 71.02 H new ATOM 0 HD1 TYR A 45 23.260 9.321 -22.602 1.00 4.12 H new ATOM 0 HD2 TYR A 45 25.564 10.626 -19.264 1.00 23.44 H new ATOM 0 HE1 TYR A 45 22.117 7.683 -21.175 1.00 64.24 H new ATOM 0 HE2 TYR A 45 24.430 8.982 -17.836 1.00 15.11 H new ATOM 0 HH TYR A 45 22.595 6.433 -19.049 1.00 31.11 H new ATOM 740 N THR A 46 23.749 13.707 -20.724 1.00 33.21 N ATOM 741 CA THR A 46 22.942 14.301 -19.666 1.00 10.32 C ATOM 742 C THR A 46 21.793 15.119 -20.244 1.00 73.01 C ATOM 743 O THR A 46 20.642 14.969 -19.833 1.00 11.30 O ATOM 744 CB THR A 46 23.791 15.205 -18.752 1.00 43.23 C ATOM 745 OG1 THR A 46 24.167 16.396 -19.454 1.00 31.24 O ATOM 746 CG2 THR A 46 25.039 14.475 -18.277 1.00 53.34 C ATOM 0 H THR A 46 24.659 14.148 -20.858 1.00 33.21 H new ATOM 0 HA THR A 46 22.538 13.478 -19.077 1.00 10.32 H new ATOM 0 HB THR A 46 23.191 15.470 -17.882 1.00 43.23 H new ATOM 0 HG1 THR A 46 24.988 16.230 -19.963 1.00 31.24 H new ATOM 0 HG21 THR A 46 25.623 15.133 -17.633 1.00 53.34 H new ATOM 0 HG22 THR A 46 24.749 13.585 -17.719 1.00 53.34 H new ATOM 0 HG23 THR A 46 25.640 14.184 -19.138 1.00 53.34 H new ATOM 754 N LYS A 47 22.111 15.984 -21.201 1.00 2.10 N ATOM 755 CA LYS A 47 21.105 16.825 -21.838 1.00 41.15 C ATOM 756 C LYS A 47 19.968 15.980 -22.404 1.00 63.11 C ATOM 757 O LYS A 47 18.819 16.420 -22.453 1.00 65.44 O ATOM 758 CB LYS A 47 21.740 17.658 -22.955 1.00 33.14 C ATOM 759 CG LYS A 47 21.580 17.046 -24.336 1.00 3.24 C ATOM 760 CD LYS A 47 22.622 17.579 -25.305 1.00 61.21 C ATOM 761 CE LYS A 47 22.029 17.815 -26.686 1.00 4.43 C ATOM 762 NZ LYS A 47 23.035 18.372 -27.633 1.00 73.30 N ATOM 0 H LYS A 47 23.059 16.121 -21.553 1.00 2.10 H new ATOM 0 HA LYS A 47 20.695 17.494 -21.081 1.00 41.15 H new ATOM 0 HB2 LYS A 47 21.294 18.653 -22.954 1.00 33.14 H new ATOM 0 HB3 LYS A 47 22.802 17.785 -22.744 1.00 33.14 H new ATOM 0 HG2 LYS A 47 21.667 15.962 -24.267 1.00 3.24 H new ATOM 0 HG3 LYS A 47 20.582 17.262 -24.718 1.00 3.24 H new ATOM 0 HD2 LYS A 47 23.035 18.512 -24.921 1.00 61.21 H new ATOM 0 HD3 LYS A 47 23.448 16.872 -25.378 1.00 61.21 H new ATOM 0 HE2 LYS A 47 21.640 16.876 -27.080 1.00 4.43 H new ATOM 0 HE3 LYS A 47 21.186 18.501 -26.607 1.00 4.43 H new ATOM 0 HZ1 LYS A 47 22.593 18.519 -28.563 1.00 73.30 H new ATOM 0 HZ2 LYS A 47 23.388 19.281 -27.270 1.00 73.30 H new ATOM 0 HZ3 LYS A 47 23.828 17.706 -27.728 1.00 73.30 H new ATOM 776 N VAL A 48 20.296 14.764 -22.829 1.00 31.42 N ATOM 777 CA VAL A 48 19.302 13.856 -23.388 1.00 72.34 C ATOM 778 C VAL A 48 18.804 12.870 -22.337 1.00 42.02 C ATOM 779 O VAL A 48 18.370 11.765 -22.664 1.00 62.30 O ATOM 780 CB VAL A 48 19.870 13.070 -24.585 1.00 71.20 C ATOM 781 CG1 VAL A 48 18.746 12.428 -25.385 1.00 3.23 C ATOM 782 CG2 VAL A 48 20.712 13.979 -25.468 1.00 31.14 C ATOM 0 H VAL A 48 21.242 14.385 -22.797 1.00 31.42 H new ATOM 0 HA VAL A 48 18.469 14.471 -23.728 1.00 72.34 H new ATOM 0 HB VAL A 48 20.512 12.276 -24.204 1.00 71.20 H new ATOM 0 HG11 VAL A 48 19.167 11.877 -26.226 1.00 3.23 H new ATOM 0 HG12 VAL A 48 18.189 11.743 -24.745 1.00 3.23 H new ATOM 0 HG13 VAL A 48 18.076 13.203 -25.757 1.00 3.23 H new ATOM 0 HG21 VAL A 48 21.105 13.407 -26.309 1.00 31.14 H new ATOM 0 HG22 VAL A 48 20.095 14.796 -25.842 1.00 31.14 H new ATOM 0 HG23 VAL A 48 21.540 14.386 -24.887 1.00 31.14 H new ATOM 792 N CYS A 49 18.870 13.277 -21.075 1.00 15.44 N ATOM 793 CA CYS A 49 18.426 12.430 -19.974 1.00 34.33 C ATOM 794 C CYS A 49 19.253 11.151 -19.904 1.00 64.45 C ATOM 795 O CYS A 49 19.935 10.771 -20.857 1.00 30.32 O ATOM 796 CB CYS A 49 16.944 12.085 -20.134 1.00 22.25 C ATOM 797 SG CYS A 49 15.841 13.071 -19.095 1.00 35.34 S ATOM 0 H CYS A 49 19.227 14.189 -20.788 1.00 15.44 H new ATOM 0 HA CYS A 49 18.565 12.982 -19.045 1.00 34.33 H new ATOM 0 HB2 CYS A 49 16.661 12.221 -21.178 1.00 22.25 H new ATOM 0 HB3 CYS A 49 16.800 11.030 -19.900 1.00 22.25 H new ATOM 0 HG CYS A 49 14.610 12.708 -19.302 1.00 35.34 H new ATOM 803 N PRO A 50 19.196 10.470 -18.750 1.00 73.12 N ATOM 804 CA PRO A 50 19.935 9.224 -18.528 1.00 60.43 C ATOM 805 C PRO A 50 19.381 8.066 -19.352 1.00 14.31 C ATOM 806 O PRO A 50 18.925 7.064 -18.803 1.00 22.10 O ATOM 807 CB PRO A 50 19.741 8.957 -17.033 1.00 51.45 C ATOM 808 CG PRO A 50 18.469 9.651 -16.687 1.00 75.43 C ATOM 809 CD PRO A 50 18.404 10.864 -17.573 1.00 11.21 C ATOM 0 HA PRO A 50 20.979 9.312 -18.827 1.00 60.43 H new ATOM 0 HB2 PRO A 50 19.678 7.889 -16.826 1.00 51.45 H new ATOM 0 HB3 PRO A 50 20.576 9.346 -16.450 1.00 51.45 H new ATOM 0 HG2 PRO A 50 17.611 9.000 -16.854 1.00 75.43 H new ATOM 0 HG3 PRO A 50 18.453 9.935 -15.635 1.00 75.43 H new ATOM 0 HD2 PRO A 50 17.377 11.109 -17.844 1.00 11.21 H new ATOM 0 HD3 PRO A 50 18.823 11.743 -17.083 1.00 11.21 H new ATOM 817 N ASN A 51 19.423 8.212 -20.672 1.00 71.03 N ATOM 818 CA ASN A 51 18.924 7.178 -21.572 1.00 23.23 C ATOM 819 C ASN A 51 17.418 6.996 -21.410 1.00 41.52 C ATOM 820 O ASN A 51 16.888 7.076 -20.302 1.00 3.42 O ATOM 821 CB ASN A 51 19.640 5.852 -21.305 1.00 44.32 C ATOM 822 CG ASN A 51 20.100 5.176 -22.583 1.00 14.14 C ATOM 823 OD1 ASN A 51 19.736 4.033 -22.858 1.00 23.50 O ATOM 824 ND2 ASN A 51 20.903 5.882 -23.370 1.00 11.23 N ATOM 0 H ASN A 51 19.797 9.036 -21.143 1.00 71.03 H new ATOM 0 HA ASN A 51 19.126 7.494 -22.595 1.00 23.23 H new ATOM 0 HB2 ASN A 51 20.501 6.030 -20.661 1.00 44.32 H new ATOM 0 HB3 ASN A 51 18.971 5.183 -20.764 1.00 44.32 H new ATOM 0 HD21 ASN A 51 21.244 5.480 -24.243 1.00 11.23 H new ATOM 0 HD22 ASN A 51 21.179 6.827 -23.102 1.00 11.23 H new ATOM 831 N ARG A 52 16.734 6.751 -22.523 1.00 45.43 N ATOM 832 CA ARG A 52 15.289 6.559 -22.506 1.00 4.24 C ATOM 833 C ARG A 52 14.914 5.206 -23.102 1.00 74.04 C ATOM 834 O ARG A 52 13.834 5.047 -23.673 1.00 61.54 O ATOM 835 CB ARG A 52 14.595 7.681 -23.280 1.00 72.31 C ATOM 836 CG ARG A 52 15.073 9.072 -22.898 1.00 20.24 C ATOM 837 CD ARG A 52 15.689 9.795 -24.085 1.00 54.40 C ATOM 838 NE ARG A 52 15.366 11.220 -24.085 1.00 72.34 N ATOM 839 CZ ARG A 52 15.440 11.990 -25.165 1.00 64.22 C ATOM 840 NH1 ARG A 52 15.824 11.475 -26.325 1.00 43.33 N ATOM 841 NH2 ARG A 52 15.130 13.277 -25.086 1.00 1.51 N ATOM 0 H ARG A 52 17.158 6.681 -23.448 1.00 45.43 H new ATOM 0 HA ARG A 52 14.956 6.584 -21.468 1.00 4.24 H new ATOM 0 HB2 ARG A 52 14.759 7.530 -24.347 1.00 72.31 H new ATOM 0 HB3 ARG A 52 13.520 7.616 -23.111 1.00 72.31 H new ATOM 0 HG2 ARG A 52 14.235 9.653 -22.512 1.00 20.24 H new ATOM 0 HG3 ARG A 52 15.806 8.998 -22.095 1.00 20.24 H new ATOM 0 HD2 ARG A 52 16.771 9.669 -24.065 1.00 54.40 H new ATOM 0 HD3 ARG A 52 15.332 9.342 -25.010 1.00 54.40 H new ATOM 0 HE ARG A 52 15.067 11.647 -23.208 1.00 72.34 H new ATOM 0 HH11 ARG A 52 16.063 10.486 -26.389 1.00 43.33 H new ATOM 0 HH12 ARG A 52 15.880 12.068 -27.153 1.00 43.33 H new ATOM 0 HH21 ARG A 52 14.834 13.677 -24.195 1.00 1.51 H new ATOM 0 HH22 ARG A 52 15.187 13.867 -25.916 1.00 1.51 H new ATOM 855 N CYS A 53 15.811 4.236 -22.967 1.00 33.14 N ATOM 856 CA CYS A 53 15.574 2.896 -23.493 1.00 42.55 C ATOM 857 C CYS A 53 14.795 2.049 -22.494 1.00 34.35 C ATOM 858 O CYS A 53 13.599 1.809 -22.666 1.00 44.14 O ATOM 859 CB CYS A 53 16.902 2.217 -23.831 1.00 31.31 C ATOM 860 SG CYS A 53 16.742 0.480 -24.309 1.00 52.43 S ATOM 0 H CYS A 53 16.709 4.352 -22.498 1.00 33.14 H new ATOM 0 HA CYS A 53 14.980 2.989 -24.402 1.00 42.55 H new ATOM 0 HB2 CYS A 53 17.381 2.764 -24.643 1.00 31.31 H new ATOM 0 HB3 CYS A 53 17.563 2.286 -22.967 1.00 31.31 H new ATOM 0 HG CYS A 53 17.255 0.306 -25.491 1.00 52.43 H new ATOM 866 N ASP A 54 15.479 1.596 -21.449 1.00 4.51 N ATOM 867 CA ASP A 54 14.852 0.774 -20.421 1.00 15.40 C ATOM 868 C ASP A 54 15.866 0.365 -19.358 1.00 62.51 C ATOM 869 O ASP A 54 15.875 0.905 -18.251 1.00 51.34 O ATOM 870 CB ASP A 54 14.220 -0.470 -21.048 1.00 2.32 C ATOM 871 CG ASP A 54 12.708 -0.381 -21.114 1.00 2.12 C ATOM 872 OD1 ASP A 54 12.102 0.132 -20.150 1.00 72.03 O ATOM 873 OD2 ASP A 54 12.131 -0.825 -22.129 1.00 21.14 O ATOM 0 H ASP A 54 16.469 1.785 -21.292 1.00 4.51 H new ATOM 0 HA ASP A 54 14.072 1.366 -19.943 1.00 15.40 H new ATOM 0 HB2 ASP A 54 14.617 -0.608 -22.054 1.00 2.32 H new ATOM 0 HB3 ASP A 54 14.504 -1.349 -20.470 1.00 2.32 H new ATOM 878 N LEU A 55 16.719 -0.595 -19.701 1.00 1.53 N ATOM 879 CA LEU A 55 17.738 -1.078 -18.776 1.00 21.44 C ATOM 880 C LEU A 55 18.704 0.039 -18.396 1.00 41.52 C ATOM 881 O LEU A 55 19.429 -0.063 -17.407 1.00 44.43 O ATOM 882 CB LEU A 55 18.508 -2.244 -19.399 1.00 4.14 C ATOM 883 CG LEU A 55 18.779 -2.143 -20.900 1.00 61.42 C ATOM 884 CD1 LEU A 55 19.481 -0.835 -21.230 1.00 33.03 C ATOM 885 CD2 LEU A 55 19.608 -3.329 -21.373 1.00 55.03 C ATOM 0 H LEU A 55 16.725 -1.054 -20.612 1.00 1.53 H new ATOM 0 HA LEU A 55 17.238 -1.422 -17.871 1.00 21.44 H new ATOM 0 HB2 LEU A 55 19.463 -2.339 -18.883 1.00 4.14 H new ATOM 0 HB3 LEU A 55 17.952 -3.162 -19.211 1.00 4.14 H new ATOM 0 HG LEU A 55 17.823 -2.160 -21.424 1.00 61.42 H new ATOM 0 HD11 LEU A 55 19.665 -0.782 -22.303 1.00 33.03 H new ATOM 0 HD12 LEU A 55 18.852 0.002 -20.928 1.00 33.03 H new ATOM 0 HD13 LEU A 55 20.430 -0.787 -20.696 1.00 33.03 H new ATOM 0 HD21 LEU A 55 19.791 -3.241 -22.444 1.00 55.03 H new ATOM 0 HD22 LEU A 55 20.560 -3.343 -20.842 1.00 55.03 H new ATOM 0 HD23 LEU A 55 19.067 -4.254 -21.173 1.00 55.03 H new ATOM 897 N ALA A 56 18.706 1.107 -19.188 1.00 21.20 N ATOM 898 CA ALA A 56 19.579 2.246 -18.933 1.00 23.33 C ATOM 899 C ALA A 56 18.887 3.282 -18.054 1.00 2.10 C ATOM 900 O ALA A 56 19.519 3.918 -17.209 1.00 62.43 O ATOM 901 CB ALA A 56 20.023 2.875 -20.245 1.00 10.21 C ATOM 0 H ALA A 56 18.113 1.207 -20.012 1.00 21.20 H new ATOM 0 HA ALA A 56 20.459 1.886 -18.400 1.00 23.33 H new ATOM 0 HB1 ALA A 56 20.674 3.724 -20.039 1.00 10.21 H new ATOM 0 HB2 ALA A 56 20.565 2.137 -20.837 1.00 10.21 H new ATOM 0 HB3 ALA A 56 19.148 3.215 -20.800 1.00 10.21 H new ATOM 907 N THR A 57 17.584 3.449 -18.258 1.00 41.22 N ATOM 908 CA THR A 57 16.806 4.410 -17.486 1.00 65.10 C ATOM 909 C THR A 57 16.713 3.992 -16.023 1.00 53.10 C ATOM 910 O THR A 57 16.714 4.835 -15.126 1.00 34.51 O ATOM 911 CB THR A 57 15.384 4.568 -18.055 1.00 51.12 C ATOM 912 OG1 THR A 57 15.447 4.958 -19.432 1.00 24.34 O ATOM 913 CG2 THR A 57 14.597 5.603 -17.266 1.00 2.44 C ATOM 0 H THR A 57 17.045 2.931 -18.952 1.00 41.22 H new ATOM 0 HA THR A 57 17.325 5.366 -17.556 1.00 65.10 H new ATOM 0 HB THR A 57 14.875 3.607 -17.973 1.00 51.12 H new ATOM 0 HG1 THR A 57 16.140 5.641 -19.547 1.00 24.34 H new ATOM 0 HG21 THR A 57 13.596 5.697 -17.687 1.00 2.44 H new ATOM 0 HG22 THR A 57 14.525 5.289 -16.225 1.00 2.44 H new ATOM 0 HG23 THR A 57 15.105 6.566 -17.320 1.00 2.44 H new ATOM 921 N ALA A 58 16.633 2.686 -15.789 1.00 55.33 N ATOM 922 CA ALA A 58 16.541 2.157 -14.434 1.00 60.03 C ATOM 923 C ALA A 58 17.918 2.072 -13.784 1.00 73.20 C ATOM 924 O ALA A 58 18.108 2.514 -12.652 1.00 1.43 O ATOM 925 CB ALA A 58 15.875 0.789 -14.446 1.00 22.11 C ATOM 0 H ALA A 58 16.630 1.975 -16.520 1.00 55.33 H new ATOM 0 HA ALA A 58 15.931 2.840 -13.843 1.00 60.03 H new ATOM 0 HB1 ALA A 58 15.813 0.406 -13.428 1.00 22.11 H new ATOM 0 HB2 ALA A 58 14.872 0.876 -14.863 1.00 22.11 H new ATOM 0 HB3 ALA A 58 16.463 0.103 -15.056 1.00 22.11 H new ATOM 931 N ALA A 59 18.874 1.500 -14.508 1.00 24.54 N ATOM 932 CA ALA A 59 20.234 1.358 -14.001 1.00 72.31 C ATOM 933 C ALA A 59 20.811 2.708 -13.591 1.00 15.51 C ATOM 934 O ALA A 59 21.601 2.797 -12.651 1.00 40.12 O ATOM 935 CB ALA A 59 21.121 0.699 -15.047 1.00 73.32 C ATOM 0 H ALA A 59 18.732 1.127 -15.447 1.00 24.54 H new ATOM 0 HA ALA A 59 20.201 0.723 -13.116 1.00 72.31 H new ATOM 0 HB1 ALA A 59 22.133 0.599 -14.655 1.00 73.32 H new ATOM 0 HB2 ALA A 59 20.727 -0.288 -15.289 1.00 73.32 H new ATOM 0 HB3 ALA A 59 21.139 1.313 -15.947 1.00 73.32 H new ATOM 941 N ASP A 60 20.411 3.757 -14.301 1.00 52.43 N ATOM 942 CA ASP A 60 20.888 5.104 -14.011 1.00 10.44 C ATOM 943 C ASP A 60 20.207 5.665 -12.766 1.00 1.30 C ATOM 944 O ASP A 60 20.863 6.223 -11.886 1.00 31.43 O ATOM 945 CB ASP A 60 20.636 6.027 -15.204 1.00 74.44 C ATOM 946 CG ASP A 60 21.808 6.064 -16.165 1.00 2.43 C ATOM 947 OD1 ASP A 60 21.859 5.208 -17.072 1.00 41.32 O ATOM 948 OD2 ASP A 60 22.675 6.950 -16.008 1.00 64.43 O ATOM 0 H ASP A 60 19.757 3.700 -15.082 1.00 52.43 H new ATOM 0 HA ASP A 60 21.961 5.050 -13.825 1.00 10.44 H new ATOM 0 HB2 ASP A 60 19.745 5.694 -15.735 1.00 74.44 H new ATOM 0 HB3 ASP A 60 20.434 7.035 -14.843 1.00 74.44 H new ATOM 953 N ARG A 61 18.888 5.515 -12.701 1.00 23.24 N ATOM 954 CA ARG A 61 18.118 6.008 -11.565 1.00 44.31 C ATOM 955 C ARG A 61 18.686 5.478 -10.252 1.00 3.43 C ATOM 956 O ARG A 61 18.730 6.192 -9.250 1.00 45.33 O ATOM 957 CB ARG A 61 16.651 5.599 -11.700 1.00 54.04 C ATOM 958 CG ARG A 61 15.702 6.776 -11.861 1.00 5.11 C ATOM 959 CD ARG A 61 15.867 7.443 -13.217 1.00 43.44 C ATOM 960 NE ARG A 61 16.702 8.639 -13.141 1.00 43.23 N ATOM 961 CZ ARG A 61 16.287 9.794 -12.633 1.00 4.04 C ATOM 962 NH1 ARG A 61 15.055 9.908 -12.157 1.00 51.23 N ATOM 963 NH2 ARG A 61 17.106 10.838 -12.598 1.00 62.43 N ATOM 0 H ARG A 61 18.330 5.056 -13.421 1.00 23.24 H new ATOM 0 HA ARG A 61 18.186 7.096 -11.557 1.00 44.31 H new ATOM 0 HB2 ARG A 61 16.545 4.938 -12.560 1.00 54.04 H new ATOM 0 HB3 ARG A 61 16.360 5.026 -10.819 1.00 54.04 H new ATOM 0 HG2 ARG A 61 14.674 6.434 -11.745 1.00 5.11 H new ATOM 0 HG3 ARG A 61 15.887 7.504 -11.071 1.00 5.11 H new ATOM 0 HD2 ARG A 61 16.310 6.735 -13.917 1.00 43.44 H new ATOM 0 HD3 ARG A 61 14.887 7.710 -13.611 1.00 43.44 H new ATOM 0 HE ARG A 61 17.656 8.584 -13.498 1.00 43.23 H new ATOM 0 HH11 ARG A 61 14.423 9.108 -12.180 1.00 51.23 H new ATOM 0 HH12 ARG A 61 14.739 10.796 -11.767 1.00 51.23 H new ATOM 0 HH21 ARG A 61 18.055 10.754 -12.962 1.00 62.43 H new ATOM 0 HH22 ARG A 61 16.786 11.724 -12.208 1.00 62.43 H new ATOM 977 N ALA A 62 19.119 4.222 -10.264 1.00 61.13 N ATOM 978 CA ALA A 62 19.685 3.597 -9.075 1.00 43.13 C ATOM 979 C ALA A 62 21.144 4.000 -8.885 1.00 73.32 C ATOM 980 O ALA A 62 21.554 4.384 -7.790 1.00 72.33 O ATOM 981 CB ALA A 62 19.561 2.083 -9.165 1.00 11.34 C ATOM 0 H ALA A 62 19.089 3.617 -11.084 1.00 61.13 H new ATOM 0 HA ALA A 62 19.123 3.946 -8.209 1.00 43.13 H new ATOM 0 HB1 ALA A 62 19.988 1.629 -8.271 1.00 11.34 H new ATOM 0 HB2 ALA A 62 18.509 1.808 -9.245 1.00 11.34 H new ATOM 0 HB3 ALA A 62 20.097 1.726 -10.044 1.00 11.34 H new ATOM 987 N ALA A 63 21.923 3.908 -9.958 1.00 54.52 N ATOM 988 CA ALA A 63 23.335 4.265 -9.909 1.00 62.43 C ATOM 989 C ALA A 63 23.522 5.705 -9.445 1.00 45.01 C ATOM 990 O ALA A 63 24.559 6.057 -8.883 1.00 4.45 O ATOM 991 CB ALA A 63 23.979 4.060 -11.273 1.00 33.53 C ATOM 0 H ALA A 63 21.600 3.589 -10.871 1.00 54.52 H new ATOM 0 HA ALA A 63 23.824 3.612 -9.186 1.00 62.43 H new ATOM 0 HB1 ALA A 63 25.034 4.331 -11.222 1.00 33.53 H new ATOM 0 HB2 ALA A 63 23.886 3.014 -11.566 1.00 33.53 H new ATOM 0 HB3 ALA A 63 23.479 4.688 -12.010 1.00 33.53 H new ATOM 997 N LYS A 64 22.513 6.535 -9.685 1.00 32.13 N ATOM 998 CA LYS A 64 22.565 7.938 -9.291 1.00 60.20 C ATOM 999 C LYS A 64 22.668 8.074 -7.775 1.00 51.13 C ATOM 1000 O LYS A 64 23.027 9.132 -7.260 1.00 51.24 O ATOM 1001 CB LYS A 64 21.325 8.677 -9.797 1.00 55.42 C ATOM 1002 CG LYS A 64 21.377 9.011 -11.278 1.00 61.42 C ATOM 1003 CD LYS A 64 21.442 10.511 -11.510 1.00 72.22 C ATOM 1004 CE LYS A 64 22.848 11.049 -11.291 1.00 74.44 C ATOM 1005 NZ LYS A 64 23.103 12.277 -12.094 1.00 31.30 N ATOM 0 H LYS A 64 21.648 6.260 -10.151 1.00 32.13 H new ATOM 0 HA LYS A 64 23.454 8.383 -9.739 1.00 60.20 H new ATOM 0 HB2 LYS A 64 20.444 8.066 -9.602 1.00 55.42 H new ATOM 0 HB3 LYS A 64 21.205 9.600 -9.229 1.00 55.42 H new ATOM 0 HG2 LYS A 64 22.247 8.534 -11.729 1.00 61.42 H new ATOM 0 HG3 LYS A 64 20.497 8.603 -11.775 1.00 61.42 H new ATOM 0 HD2 LYS A 64 21.119 10.737 -12.526 1.00 72.22 H new ATOM 0 HD3 LYS A 64 20.749 11.015 -10.836 1.00 72.22 H new ATOM 0 HE2 LYS A 64 22.992 11.270 -10.233 1.00 74.44 H new ATOM 0 HE3 LYS A 64 23.576 10.283 -11.558 1.00 74.44 H new ATOM 0 HZ1 LYS A 64 24.071 12.613 -11.917 1.00 31.30 H new ATOM 0 HZ2 LYS A 64 22.991 12.060 -13.105 1.00 31.30 H new ATOM 0 HZ3 LYS A 64 22.425 13.017 -11.821 1.00 31.30 H new ATOM 1019 N GLY A 65 22.351 6.995 -7.066 1.00 4.25 N ATOM 1020 CA GLY A 65 22.416 7.016 -5.616 1.00 22.41 C ATOM 1021 C GLY A 65 21.085 6.682 -4.971 1.00 64.13 C ATOM 1022 O GLY A 65 20.884 6.930 -3.783 1.00 24.31 O ATOM 0 H GLY A 65 22.051 6.107 -7.469 1.00 4.25 H new ATOM 0 HA2 GLY A 65 23.169 6.303 -5.279 1.00 22.41 H new ATOM 0 HA3 GLY A 65 22.740 8.002 -5.284 1.00 22.41 H new ATOM 1026 N ALA A 66 20.173 6.119 -5.758 1.00 4.44 N ATOM 1027 CA ALA A 66 18.855 5.751 -5.256 1.00 42.23 C ATOM 1028 C ALA A 66 18.196 6.921 -4.534 1.00 52.43 C ATOM 1029 O ALA A 66 17.977 6.873 -3.324 1.00 34.53 O ATOM 1030 CB ALA A 66 18.960 4.548 -4.330 1.00 53.53 C ATOM 0 H ALA A 66 20.323 5.908 -6.745 1.00 4.44 H new ATOM 0 HA ALA A 66 18.230 5.486 -6.109 1.00 42.23 H new ATOM 0 HB1 ALA A 66 17.968 4.284 -3.962 1.00 53.53 H new ATOM 0 HB2 ALA A 66 19.381 3.704 -4.876 1.00 53.53 H new ATOM 0 HB3 ALA A 66 19.606 4.793 -3.487 1.00 53.53 H new ATOM 1036 N TYR A 67 17.883 7.972 -5.284 1.00 54.21 N ATOM 1037 CA TYR A 67 17.251 9.157 -4.714 1.00 60.55 C ATOM 1038 C TYR A 67 16.028 8.776 -3.886 1.00 10.35 C ATOM 1039 O TYR A 67 14.970 8.461 -4.428 1.00 32.21 O ATOM 1040 CB TYR A 67 16.847 10.128 -5.824 1.00 53.34 C ATOM 1041 CG TYR A 67 17.051 11.582 -5.461 1.00 34.43 C ATOM 1042 CD1 TYR A 67 18.264 12.215 -5.703 1.00 35.01 C ATOM 1043 CD2 TYR A 67 16.031 12.321 -4.874 1.00 43.21 C ATOM 1044 CE1 TYR A 67 18.455 13.542 -5.372 1.00 12.53 C ATOM 1045 CE2 TYR A 67 16.213 13.649 -4.541 1.00 1.51 C ATOM 1046 CZ TYR A 67 17.427 14.256 -4.791 1.00 74.55 C ATOM 1047 OH TYR A 67 17.612 15.578 -4.460 1.00 1.13 O ATOM 0 H TYR A 67 18.056 8.028 -6.288 1.00 54.21 H new ATOM 0 HA TYR A 67 17.973 9.644 -4.059 1.00 60.55 H new ATOM 0 HB2 TYR A 67 17.424 9.902 -6.721 1.00 53.34 H new ATOM 0 HB3 TYR A 67 15.798 9.968 -6.071 1.00 53.34 H new ATOM 0 HD1 TYR A 67 19.071 11.660 -6.158 1.00 35.01 H new ATOM 0 HD2 TYR A 67 15.080 11.849 -4.675 1.00 43.21 H new ATOM 0 HE1 TYR A 67 19.404 14.019 -5.567 1.00 12.53 H new ATOM 0 HE2 TYR A 67 15.409 14.210 -4.087 1.00 1.51 H new ATOM 0 HH TYR A 67 16.790 15.934 -4.062 1.00 1.13 H new ATOM 1057 N GLY A 68 16.182 8.810 -2.565 1.00 62.32 N ATOM 1058 CA GLY A 68 15.083 8.467 -1.681 1.00 45.22 C ATOM 1059 C GLY A 68 14.006 9.533 -1.655 1.00 43.33 C ATOM 1060 O GLY A 68 13.855 10.296 -2.610 1.00 1.32 O ATOM 0 H GLY A 68 17.048 9.069 -2.092 1.00 62.32 H new ATOM 0 HA2 GLY A 68 14.646 7.521 -2.000 1.00 45.22 H new ATOM 0 HA3 GLY A 68 15.466 8.317 -0.672 1.00 45.22 H new ATOM 1064 N TYR A 69 13.255 9.586 -0.561 1.00 74.14 N ATOM 1065 CA TYR A 69 12.183 10.564 -0.417 1.00 33.20 C ATOM 1066 C TYR A 69 11.188 10.456 -1.568 1.00 74.53 C ATOM 1067 O TYR A 69 11.325 11.132 -2.588 1.00 32.21 O ATOM 1068 CB TYR A 69 12.760 11.979 -0.358 1.00 53.22 C ATOM 1069 CG TYR A 69 11.880 12.962 0.381 1.00 31.54 C ATOM 1070 CD1 TYR A 69 11.533 12.750 1.710 1.00 11.20 C ATOM 1071 CD2 TYR A 69 11.396 14.102 -0.248 1.00 64.14 C ATOM 1072 CE1 TYR A 69 10.729 13.645 2.389 1.00 33.32 C ATOM 1073 CE2 TYR A 69 10.593 15.003 0.423 1.00 32.34 C ATOM 1074 CZ TYR A 69 10.261 14.769 1.742 1.00 44.42 C ATOM 1075 OH TYR A 69 9.461 15.664 2.415 1.00 23.34 O ATOM 0 H TYR A 69 13.369 8.964 0.239 1.00 74.14 H new ATOM 0 HA TYR A 69 11.657 10.354 0.514 1.00 33.20 H new ATOM 0 HB2 TYR A 69 13.737 11.944 0.125 1.00 53.22 H new ATOM 0 HB3 TYR A 69 12.920 12.340 -1.374 1.00 53.22 H new ATOM 0 HD1 TYR A 69 11.898 11.871 2.220 1.00 11.20 H new ATOM 0 HD2 TYR A 69 11.652 14.287 -1.281 1.00 64.14 H new ATOM 0 HE1 TYR A 69 10.468 13.465 3.422 1.00 33.32 H new ATOM 0 HE2 TYR A 69 10.227 15.885 -0.081 1.00 32.34 H new ATOM 0 HH TYR A 69 9.219 16.401 1.816 1.00 23.34 H new ATOM 1085 N ASP A 70 10.186 9.600 -1.397 1.00 14.41 N ATOM 1086 CA ASP A 70 9.165 9.403 -2.420 1.00 1.42 C ATOM 1087 C ASP A 70 7.784 9.258 -1.789 1.00 31.24 C ATOM 1088 O ASP A 70 7.545 8.346 -0.996 1.00 51.42 O ATOM 1089 CB ASP A 70 9.488 8.168 -3.261 1.00 71.51 C ATOM 1090 CG ASP A 70 9.286 8.408 -4.744 1.00 43.13 C ATOM 1091 OD1 ASP A 70 8.315 9.105 -5.106 1.00 41.31 O ATOM 1092 OD2 ASP A 70 10.100 7.900 -5.543 1.00 61.03 O ATOM 0 H ASP A 70 10.059 9.032 -0.560 1.00 14.41 H new ATOM 0 HA ASP A 70 9.158 10.281 -3.066 1.00 1.42 H new ATOM 0 HB2 ASP A 70 10.521 7.870 -3.082 1.00 71.51 H new ATOM 0 HB3 ASP A 70 8.857 7.339 -2.941 1.00 71.51 H new ATOM 1097 N VAL A 71 6.878 10.163 -2.144 1.00 72.14 N ATOM 1098 CA VAL A 71 5.520 10.136 -1.613 1.00 63.51 C ATOM 1099 C VAL A 71 4.831 8.815 -1.935 1.00 74.33 C ATOM 1100 O VAL A 71 3.909 8.398 -1.235 1.00 15.33 O ATOM 1101 CB VAL A 71 4.675 11.294 -2.174 1.00 55.11 C ATOM 1102 CG1 VAL A 71 4.439 11.110 -3.665 1.00 73.25 C ATOM 1103 CG2 VAL A 71 3.354 11.400 -1.426 1.00 60.13 C ATOM 0 H VAL A 71 7.060 10.925 -2.798 1.00 72.14 H new ATOM 0 HA VAL A 71 5.600 10.246 -0.532 1.00 63.51 H new ATOM 0 HB VAL A 71 5.224 12.224 -2.030 1.00 55.11 H new ATOM 0 HG11 VAL A 71 3.840 11.938 -4.043 1.00 73.25 H new ATOM 0 HG12 VAL A 71 5.397 11.088 -4.185 1.00 73.25 H new ATOM 0 HG13 VAL A 71 3.911 10.172 -3.837 1.00 73.25 H new ATOM 0 HG21 VAL A 71 2.769 12.224 -1.835 1.00 60.13 H new ATOM 0 HG22 VAL A 71 2.797 10.469 -1.537 1.00 60.13 H new ATOM 0 HG23 VAL A 71 3.548 11.583 -0.369 1.00 60.13 H new ATOM 1113 N GLN A 72 5.284 8.161 -3.000 1.00 24.33 N ATOM 1114 CA GLN A 72 4.710 6.886 -3.415 1.00 1.42 C ATOM 1115 C GLN A 72 5.443 6.329 -4.631 1.00 2.24 C ATOM 1116 O GLN A 72 4.819 5.880 -5.593 1.00 23.52 O ATOM 1117 CB GLN A 72 3.223 7.052 -3.733 1.00 2.41 C ATOM 1118 CG GLN A 72 2.375 5.863 -3.314 1.00 72.40 C ATOM 1119 CD GLN A 72 1.312 6.232 -2.298 1.00 40.32 C ATOM 1120 OE1 GLN A 72 0.116 6.167 -2.582 1.00 73.14 O ATOM 1121 NE2 GLN A 72 1.744 6.624 -1.105 1.00 31.30 N ATOM 0 H GLN A 72 6.046 8.493 -3.591 1.00 24.33 H new ATOM 0 HA GLN A 72 4.822 6.181 -2.592 1.00 1.42 H new ATOM 0 HB2 GLN A 72 2.851 7.947 -3.234 1.00 2.41 H new ATOM 0 HB3 GLN A 72 3.105 7.212 -4.805 1.00 2.41 H new ATOM 0 HG2 GLN A 72 1.897 5.435 -4.195 1.00 72.40 H new ATOM 0 HG3 GLN A 72 3.020 5.091 -2.895 1.00 72.40 H new ATOM 0 HE21 GLN A 72 2.745 6.663 -0.913 1.00 31.30 H new ATOM 0 HE22 GLN A 72 1.075 6.886 -0.381 1.00 31.30 H new ATOM 1130 N LEU A 73 6.770 6.362 -4.581 1.00 43.23 N ATOM 1131 CA LEU A 73 7.589 5.861 -5.679 1.00 64.43 C ATOM 1132 C LEU A 73 7.154 6.472 -7.007 1.00 73.11 C ATOM 1133 O LEU A 73 7.132 5.797 -8.037 1.00 44.11 O ATOM 1134 CB LEU A 73 7.500 4.335 -5.753 1.00 54.32 C ATOM 1135 CG LEU A 73 7.880 3.578 -4.480 1.00 41.14 C ATOM 1136 CD1 LEU A 73 9.097 4.213 -3.825 1.00 70.13 C ATOM 1137 CD2 LEU A 73 6.708 3.542 -3.511 1.00 10.24 C ATOM 0 H LEU A 73 7.302 6.730 -3.792 1.00 43.23 H new ATOM 0 HA LEU A 73 8.623 6.150 -5.489 1.00 64.43 H new ATOM 0 HB2 LEU A 73 6.479 4.063 -6.022 1.00 54.32 H new ATOM 0 HB3 LEU A 73 8.145 3.992 -6.562 1.00 54.32 H new ATOM 0 HG LEU A 73 8.132 2.553 -4.751 1.00 41.14 H new ATOM 0 HD11 LEU A 73 9.353 3.661 -2.921 1.00 70.13 H new ATOM 0 HD12 LEU A 73 9.939 4.186 -4.517 1.00 70.13 H new ATOM 0 HD13 LEU A 73 8.873 5.248 -3.567 1.00 70.13 H new ATOM 0 HD21 LEU A 73 6.997 2.999 -2.611 1.00 10.24 H new ATOM 0 HD22 LEU A 73 6.424 4.560 -3.245 1.00 10.24 H new ATOM 0 HD23 LEU A 73 5.862 3.041 -3.981 1.00 10.24 H new ATOM 1149 N THR A 74 6.808 7.755 -6.977 1.00 4.40 N ATOM 1150 CA THR A 74 6.374 8.459 -8.177 1.00 64.45 C ATOM 1151 C THR A 74 7.553 8.753 -9.099 1.00 32.43 C ATOM 1152 O THR A 74 7.375 9.002 -10.291 1.00 43.45 O ATOM 1153 CB THR A 74 5.667 9.782 -7.829 1.00 23.12 C ATOM 1154 OG1 THR A 74 4.591 9.537 -6.917 1.00 31.32 O ATOM 1155 CG2 THR A 74 5.132 10.456 -9.083 1.00 44.40 C ATOM 0 H THR A 74 6.820 8.328 -6.133 1.00 4.40 H new ATOM 0 HA THR A 74 5.670 7.804 -8.689 1.00 64.45 H new ATOM 0 HB THR A 74 6.395 10.445 -7.362 1.00 23.12 H new ATOM 0 HG1 THR A 74 4.148 10.383 -6.699 1.00 31.32 H new ATOM 0 HG21 THR A 74 4.637 11.388 -8.812 1.00 44.40 H new ATOM 0 HG22 THR A 74 5.957 10.668 -9.763 1.00 44.40 H new ATOM 0 HG23 THR A 74 4.418 9.795 -9.575 1.00 44.40 H new ATOM 1163 N THR A 75 8.758 8.721 -8.539 1.00 22.13 N ATOM 1164 CA THR A 75 9.966 8.984 -9.310 1.00 4.50 C ATOM 1165 C THR A 75 10.191 7.907 -10.365 1.00 2.31 C ATOM 1166 O THR A 75 10.418 8.210 -11.537 1.00 73.34 O ATOM 1167 CB THR A 75 11.207 9.063 -8.401 1.00 3.43 C ATOM 1168 OG1 THR A 75 11.470 7.782 -7.818 1.00 62.03 O ATOM 1169 CG2 THR A 75 11.007 10.095 -7.301 1.00 22.35 C ATOM 0 H THR A 75 8.923 8.515 -7.554 1.00 22.13 H new ATOM 0 HA THR A 75 9.823 9.946 -9.802 1.00 4.50 H new ATOM 0 HB THR A 75 12.058 9.365 -9.011 1.00 3.43 H new ATOM 0 HG1 THR A 75 10.886 7.649 -7.043 1.00 62.03 H new ATOM 0 HG21 THR A 75 11.896 10.133 -6.672 1.00 22.35 H new ATOM 0 HG22 THR A 75 10.836 11.075 -7.748 1.00 22.35 H new ATOM 0 HG23 THR A 75 10.145 9.818 -6.694 1.00 22.35 H new ATOM 1177 N LEU A 76 10.127 6.650 -9.942 1.00 72.54 N ATOM 1178 CA LEU A 76 10.323 5.526 -10.852 1.00 33.11 C ATOM 1179 C LEU A 76 9.090 5.310 -11.724 1.00 31.21 C ATOM 1180 O LEU A 76 9.197 4.893 -12.877 1.00 61.14 O ATOM 1181 CB LEU A 76 10.632 4.253 -10.062 1.00 63.01 C ATOM 1182 CG LEU A 76 12.031 3.667 -10.255 1.00 62.35 C ATOM 1183 CD1 LEU A 76 12.666 3.346 -8.911 1.00 71.23 C ATOM 1184 CD2 LEU A 76 11.972 2.423 -11.130 1.00 31.31 C ATOM 0 H LEU A 76 9.941 6.383 -8.975 1.00 72.54 H new ATOM 0 HA LEU A 76 11.168 5.758 -11.500 1.00 33.11 H new ATOM 0 HB2 LEU A 76 10.491 4.464 -9.002 1.00 63.01 H new ATOM 0 HB3 LEU A 76 9.900 3.493 -10.336 1.00 63.01 H new ATOM 0 HG LEU A 76 12.649 4.411 -10.757 1.00 62.35 H new ATOM 0 HD11 LEU A 76 13.661 2.930 -9.069 1.00 71.23 H new ATOM 0 HD12 LEU A 76 12.744 4.257 -8.318 1.00 71.23 H new ATOM 0 HD13 LEU A 76 12.049 2.620 -8.381 1.00 71.23 H new ATOM 0 HD21 LEU A 76 12.977 2.019 -11.257 1.00 31.31 H new ATOM 0 HD22 LEU A 76 11.337 1.674 -10.656 1.00 31.31 H new ATOM 0 HD23 LEU A 76 11.560 2.683 -12.105 1.00 31.31 H new ATOM 1196 N LYS A 77 7.919 5.598 -11.166 1.00 1.12 N ATOM 1197 CA LYS A 77 6.665 5.439 -11.892 1.00 51.34 C ATOM 1198 C LYS A 77 6.533 6.493 -12.987 1.00 40.21 C ATOM 1199 O LYS A 77 6.063 6.203 -14.087 1.00 21.14 O ATOM 1200 CB LYS A 77 5.479 5.537 -10.930 1.00 74.55 C ATOM 1201 CG LYS A 77 4.450 4.435 -11.120 1.00 21.02 C ATOM 1202 CD LYS A 77 5.016 3.074 -10.751 1.00 65.04 C ATOM 1203 CE LYS A 77 5.324 2.982 -9.265 1.00 5.33 C ATOM 1204 NZ LYS A 77 6.785 3.082 -8.994 1.00 24.42 N ATOM 0 H LYS A 77 7.813 5.943 -10.212 1.00 1.12 H new ATOM 0 HA LYS A 77 6.666 4.454 -12.358 1.00 51.34 H new ATOM 0 HB2 LYS A 77 5.849 5.504 -9.905 1.00 74.55 H new ATOM 0 HB3 LYS A 77 4.993 6.504 -11.063 1.00 74.55 H new ATOM 0 HG2 LYS A 77 3.574 4.644 -10.506 1.00 21.02 H new ATOM 0 HG3 LYS A 77 4.117 4.422 -12.158 1.00 21.02 H new ATOM 0 HD2 LYS A 77 4.303 2.296 -11.025 1.00 65.04 H new ATOM 0 HD3 LYS A 77 5.925 2.889 -11.324 1.00 65.04 H new ATOM 0 HE2 LYS A 77 4.801 3.779 -8.736 1.00 5.33 H new ATOM 0 HE3 LYS A 77 4.946 2.038 -8.874 1.00 5.33 H new ATOM 0 HZ1 LYS A 77 6.960 2.947 -7.978 1.00 24.42 H new ATOM 0 HZ2 LYS A 77 7.289 2.348 -9.532 1.00 24.42 H new ATOM 0 HZ3 LYS A 77 7.128 4.020 -9.283 1.00 24.42 H new ATOM 1218 N GLU A 78 6.952 7.716 -12.678 1.00 42.54 N ATOM 1219 CA GLU A 78 6.881 8.812 -13.637 1.00 53.55 C ATOM 1220 C GLU A 78 7.988 8.695 -14.681 1.00 52.22 C ATOM 1221 O GLU A 78 7.882 9.243 -15.779 1.00 35.24 O ATOM 1222 CB GLU A 78 6.985 10.158 -12.917 1.00 11.14 C ATOM 1223 CG GLU A 78 7.008 11.352 -13.856 1.00 72.13 C ATOM 1224 CD GLU A 78 6.436 12.605 -13.222 1.00 73.30 C ATOM 1225 OE1 GLU A 78 6.389 12.670 -11.976 1.00 23.34 O ATOM 1226 OE2 GLU A 78 6.034 13.520 -13.971 1.00 64.51 O ATOM 0 H GLU A 78 7.344 7.973 -11.772 1.00 42.54 H new ATOM 0 HA GLU A 78 5.918 8.753 -14.145 1.00 53.55 H new ATOM 0 HB2 GLU A 78 6.142 10.261 -12.233 1.00 11.14 H new ATOM 0 HB3 GLU A 78 7.890 10.167 -12.310 1.00 11.14 H new ATOM 0 HG2 GLU A 78 8.034 11.544 -14.168 1.00 72.13 H new ATOM 0 HG3 GLU A 78 6.440 11.113 -14.755 1.00 72.13 H new ATOM 1233 N ASP A 79 9.050 7.978 -14.330 1.00 54.04 N ATOM 1234 CA ASP A 79 10.177 7.788 -15.236 1.00 32.31 C ATOM 1235 C ASP A 79 9.865 6.714 -16.274 1.00 54.51 C ATOM 1236 O ASP A 79 10.088 6.910 -17.469 1.00 73.22 O ATOM 1237 CB ASP A 79 11.431 7.404 -14.449 1.00 42.54 C ATOM 1238 CG ASP A 79 12.136 8.610 -13.859 1.00 55.33 C ATOM 1239 OD1 ASP A 79 12.120 9.681 -14.503 1.00 31.32 O ATOM 1240 OD2 ASP A 79 12.702 8.484 -12.754 1.00 14.04 O ATOM 0 H ASP A 79 9.154 7.519 -13.425 1.00 54.04 H new ATOM 0 HA ASP A 79 10.357 8.729 -15.756 1.00 32.31 H new ATOM 0 HB2 ASP A 79 11.157 6.718 -13.647 1.00 42.54 H new ATOM 0 HB3 ASP A 79 12.118 6.870 -15.105 1.00 42.54 H new ATOM 1245 N ILE A 80 9.349 5.581 -15.810 1.00 12.54 N ATOM 1246 CA ILE A 80 9.006 4.478 -16.698 1.00 64.20 C ATOM 1247 C ILE A 80 7.942 4.895 -17.708 1.00 23.33 C ATOM 1248 O ILE A 80 8.001 4.518 -18.878 1.00 62.22 O ATOM 1249 CB ILE A 80 8.499 3.257 -15.909 1.00 32.51 C ATOM 1250 CG1 ILE A 80 8.117 2.126 -16.866 1.00 64.25 C ATOM 1251 CG2 ILE A 80 7.312 3.644 -15.039 1.00 24.12 C ATOM 1252 CD1 ILE A 80 9.250 1.690 -17.769 1.00 44.41 C ATOM 0 H ILE A 80 9.159 5.403 -14.824 1.00 12.54 H new ATOM 0 HA ILE A 80 9.918 4.204 -17.228 1.00 64.20 H new ATOM 0 HB ILE A 80 9.301 2.904 -15.261 1.00 32.51 H new ATOM 0 HG12 ILE A 80 7.776 1.269 -16.285 1.00 64.25 H new ATOM 0 HG13 ILE A 80 7.277 2.449 -17.481 1.00 64.25 H new ATOM 0 HG21 ILE A 80 6.965 2.770 -14.487 1.00 24.12 H new ATOM 0 HG22 ILE A 80 7.614 4.420 -14.336 1.00 24.12 H new ATOM 0 HG23 ILE A 80 6.506 4.019 -15.669 1.00 24.12 H new ATOM 0 HD11 ILE A 80 8.907 0.886 -18.420 1.00 44.41 H new ATOM 0 HD12 ILE A 80 9.577 2.534 -18.376 1.00 44.41 H new ATOM 0 HD13 ILE A 80 10.083 1.336 -17.162 1.00 44.41 H new ATOM 1264 N ARG A 81 6.971 5.676 -17.247 1.00 1.11 N ATOM 1265 CA ARG A 81 5.894 6.145 -18.110 1.00 14.22 C ATOM 1266 C ARG A 81 6.400 7.203 -19.086 1.00 23.11 C ATOM 1267 O ARG A 81 5.904 7.316 -20.208 1.00 3.53 O ATOM 1268 CB ARG A 81 4.751 6.717 -17.269 1.00 53.42 C ATOM 1269 CG ARG A 81 5.009 8.130 -16.770 1.00 65.52 C ATOM 1270 CD ARG A 81 4.379 9.168 -17.685 1.00 20.10 C ATOM 1271 NE ARG A 81 2.932 9.001 -17.787 1.00 72.54 N ATOM 1272 CZ ARG A 81 2.122 9.912 -18.314 1.00 41.33 C ATOM 1273 NH1 ARG A 81 2.616 11.050 -18.784 1.00 75.44 N ATOM 1274 NH2 ARG A 81 0.816 9.687 -18.372 1.00 73.02 N ATOM 0 H ARG A 81 6.908 5.997 -16.281 1.00 1.11 H new ATOM 0 HA ARG A 81 5.525 5.294 -18.683 1.00 14.22 H new ATOM 0 HB2 ARG A 81 3.837 6.712 -17.863 1.00 53.42 H new ATOM 0 HB3 ARG A 81 4.579 6.064 -16.413 1.00 53.42 H new ATOM 0 HG2 ARG A 81 4.608 8.240 -15.763 1.00 65.52 H new ATOM 0 HG3 ARG A 81 6.083 8.304 -16.706 1.00 65.52 H new ATOM 0 HD2 ARG A 81 4.603 10.166 -17.309 1.00 20.10 H new ATOM 0 HD3 ARG A 81 4.823 9.094 -18.678 1.00 20.10 H new ATOM 0 HE ARG A 81 2.521 8.137 -17.434 1.00 72.54 H new ATOM 0 HH11 ARG A 81 3.620 11.227 -18.741 1.00 75.44 H new ATOM 0 HH12 ARG A 81 1.992 11.748 -19.188 1.00 75.44 H new ATOM 0 HH21 ARG A 81 0.433 8.813 -18.012 1.00 73.02 H new ATOM 0 HH22 ARG A 81 0.195 10.388 -18.777 1.00 73.02 H new ATOM 1288 N LEU A 82 7.390 7.975 -18.652 1.00 2.22 N ATOM 1289 CA LEU A 82 7.964 9.025 -19.487 1.00 24.42 C ATOM 1290 C LEU A 82 8.745 8.427 -20.653 1.00 22.33 C ATOM 1291 O LEU A 82 8.738 8.966 -21.759 1.00 2.33 O ATOM 1292 CB LEU A 82 8.879 9.924 -18.653 1.00 62.41 C ATOM 1293 CG LEU A 82 9.387 11.190 -19.344 1.00 33.21 C ATOM 1294 CD1 LEU A 82 10.521 10.858 -20.301 1.00 22.23 C ATOM 1295 CD2 LEU A 82 8.252 11.887 -20.081 1.00 21.25 C ATOM 0 H LEU A 82 7.812 7.894 -17.727 1.00 2.22 H new ATOM 0 HA LEU A 82 7.146 9.623 -19.890 1.00 24.42 H new ATOM 0 HB2 LEU A 82 8.343 10.217 -17.750 1.00 62.41 H new ATOM 0 HB3 LEU A 82 9.741 9.337 -18.335 1.00 62.41 H new ATOM 0 HG LEU A 82 9.770 11.868 -18.581 1.00 33.21 H new ATOM 0 HD11 LEU A 82 10.869 11.771 -20.783 1.00 22.23 H new ATOM 0 HD12 LEU A 82 11.343 10.404 -19.748 1.00 22.23 H new ATOM 0 HD13 LEU A 82 10.165 10.161 -21.059 1.00 22.23 H new ATOM 0 HD21 LEU A 82 8.632 12.786 -20.567 1.00 21.25 H new ATOM 0 HD22 LEU A 82 7.840 11.215 -20.833 1.00 21.25 H new ATOM 0 HD23 LEU A 82 7.471 12.160 -19.371 1.00 21.25 H new ATOM 1307 N MET A 83 9.416 7.308 -20.397 1.00 52.14 N ATOM 1308 CA MET A 83 10.199 6.635 -21.427 1.00 73.12 C ATOM 1309 C MET A 83 9.289 6.020 -22.486 1.00 44.25 C ATOM 1310 O MET A 83 9.450 6.275 -23.680 1.00 54.12 O ATOM 1311 CB MET A 83 11.078 5.551 -20.802 1.00 24.40 C ATOM 1312 CG MET A 83 12.473 6.034 -20.439 1.00 1.01 C ATOM 1313 SD MET A 83 12.449 7.477 -19.357 1.00 74.45 S ATOM 1314 CE MET A 83 14.154 8.012 -19.468 1.00 63.22 C ATOM 0 H MET A 83 9.433 6.849 -19.486 1.00 52.14 H new ATOM 0 HA MET A 83 10.836 7.377 -21.907 1.00 73.12 H new ATOM 0 HB2 MET A 83 10.589 5.171 -19.905 1.00 24.40 H new ATOM 0 HB3 MET A 83 11.161 4.716 -21.498 1.00 24.40 H new ATOM 0 HG2 MET A 83 13.017 5.226 -19.949 1.00 1.01 H new ATOM 0 HG3 MET A 83 13.018 6.278 -21.351 1.00 1.01 H new ATOM 0 HE1 MET A 83 14.440 8.512 -18.542 1.00 63.22 H new ATOM 0 HE2 MET A 83 14.797 7.147 -19.627 1.00 63.22 H new ATOM 0 HE3 MET A 83 14.265 8.704 -20.303 1.00 63.22 H new ATOM 1324 N VAL A 84 8.335 5.209 -22.042 1.00 73.11 N ATOM 1325 CA VAL A 84 7.399 4.558 -22.952 1.00 44.51 C ATOM 1326 C VAL A 84 6.683 5.581 -23.827 1.00 64.25 C ATOM 1327 O VAL A 84 6.388 5.317 -24.992 1.00 42.22 O ATOM 1328 CB VAL A 84 6.351 3.733 -22.183 1.00 54.03 C ATOM 1329 CG1 VAL A 84 5.597 4.612 -21.197 1.00 53.44 C ATOM 1330 CG2 VAL A 84 5.390 3.058 -23.151 1.00 43.52 C ATOM 0 H VAL A 84 8.189 4.987 -21.057 1.00 73.11 H new ATOM 0 HA VAL A 84 7.984 3.890 -23.584 1.00 44.51 H new ATOM 0 HB VAL A 84 6.868 2.957 -21.619 1.00 54.03 H new ATOM 0 HG11 VAL A 84 4.861 4.011 -20.663 1.00 53.44 H new ATOM 0 HG12 VAL A 84 6.299 5.044 -20.484 1.00 53.44 H new ATOM 0 HG13 VAL A 84 5.090 5.412 -21.737 1.00 53.44 H new ATOM 0 HG21 VAL A 84 4.656 2.479 -22.591 1.00 43.52 H new ATOM 0 HG22 VAL A 84 4.878 3.816 -23.744 1.00 43.52 H new ATOM 0 HG23 VAL A 84 5.947 2.395 -23.813 1.00 43.52 H new ATOM 1340 N ASN A 85 6.407 6.750 -23.258 1.00 24.51 N ATOM 1341 CA ASN A 85 5.725 7.813 -23.987 1.00 25.13 C ATOM 1342 C ASN A 85 6.540 8.249 -25.201 1.00 11.23 C ATOM 1343 O ASN A 85 6.033 8.283 -26.321 1.00 62.42 O ATOM 1344 CB ASN A 85 5.477 9.011 -23.068 1.00 72.10 C ATOM 1345 CG ASN A 85 4.158 8.907 -22.326 1.00 24.40 C ATOM 1346 OD1 ASN A 85 4.169 9.264 -21.047 1.00 42.31 O flip ATOM 1347 ND2 ASN A 85 3.142 8.509 -22.896 1.00 45.42 N flip ATOM 0 H ASN A 85 6.645 6.985 -22.294 1.00 24.51 H new ATOM 0 HA ASN A 85 4.767 7.426 -24.335 1.00 25.13 H new ATOM 0 HB2 ASN A 85 6.291 9.087 -22.347 1.00 72.10 H new ATOM 0 HB3 ASN A 85 5.487 9.927 -23.659 1.00 72.10 H new ATOM 0 HD21 ASN A 85 3.180 8.245 -23.881 1.00 45.42 H new ATOM 0 HD22 ASN A 85 2.262 8.443 -22.384 1.00 45.42 H new ATOM 1354 N ASN A 86 7.806 8.582 -24.969 1.00 14.22 N ATOM 1355 CA ASN A 86 8.691 9.017 -26.043 1.00 71.53 C ATOM 1356 C ASN A 86 9.118 7.834 -26.908 1.00 14.11 C ATOM 1357 O ASN A 86 9.556 8.010 -28.045 1.00 72.14 O ATOM 1358 CB ASN A 86 9.925 9.712 -25.466 1.00 2.04 C ATOM 1359 CG ASN A 86 10.526 10.718 -26.429 1.00 32.23 C ATOM 1360 OD1 ASN A 86 9.820 11.309 -27.246 1.00 64.12 O ATOM 1361 ND2 ASN A 86 11.836 10.916 -26.336 1.00 54.00 N ATOM 0 H ASN A 86 8.242 8.559 -24.047 1.00 14.22 H new ATOM 0 HA ASN A 86 8.144 9.723 -26.667 1.00 71.53 H new ATOM 0 HB2 ASN A 86 9.654 10.218 -24.539 1.00 2.04 H new ATOM 0 HB3 ASN A 86 10.675 8.963 -25.213 1.00 2.04 H new ATOM 0 HD21 ASN A 86 12.297 11.581 -26.957 1.00 54.00 H new ATOM 0 HD22 ASN A 86 12.381 10.403 -25.643 1.00 54.00 H new ATOM 1368 N CYS A 87 8.986 6.631 -26.361 1.00 60.30 N ATOM 1369 CA CYS A 87 9.358 5.418 -27.082 1.00 1.51 C ATOM 1370 C CYS A 87 8.534 5.270 -28.357 1.00 24.30 C ATOM 1371 O CYS A 87 9.073 5.307 -29.464 1.00 23.15 O ATOM 1372 CB CYS A 87 9.166 4.191 -26.190 1.00 63.23 C ATOM 1373 SG CYS A 87 10.570 3.051 -26.192 1.00 32.21 S ATOM 0 H CYS A 87 8.624 6.469 -25.421 1.00 60.30 H new ATOM 0 HA CYS A 87 10.410 5.496 -27.358 1.00 1.51 H new ATOM 0 HB2 CYS A 87 8.983 4.523 -25.168 1.00 63.23 H new ATOM 0 HB3 CYS A 87 8.275 3.654 -26.516 1.00 63.23 H new ATOM 0 HG CYS A 87 10.315 2.047 -25.407 1.00 32.21 H new ATOM 1379 N ILE A 88 7.227 5.100 -28.194 1.00 32.32 N ATOM 1380 CA ILE A 88 6.329 4.945 -29.332 1.00 23.42 C ATOM 1381 C ILE A 88 6.142 6.267 -30.069 1.00 23.54 C ATOM 1382 O ILE A 88 5.921 6.289 -31.280 1.00 61.22 O ATOM 1383 CB ILE A 88 4.951 4.415 -28.894 1.00 22.52 C ATOM 1384 CG1 ILE A 88 4.231 5.454 -28.033 1.00 54.32 C ATOM 1385 CG2 ILE A 88 5.104 3.105 -28.135 1.00 22.12 C ATOM 1386 CD1 ILE A 88 3.217 6.275 -28.799 1.00 43.44 C ATOM 0 H ILE A 88 6.766 5.066 -27.285 1.00 32.32 H new ATOM 0 HA ILE A 88 6.791 4.220 -30.002 1.00 23.42 H new ATOM 0 HB ILE A 88 4.350 4.229 -29.784 1.00 22.52 H new ATOM 0 HG12 ILE A 88 3.728 4.946 -27.210 1.00 54.32 H new ATOM 0 HG13 ILE A 88 4.970 6.123 -27.592 1.00 54.32 H new ATOM 0 HG21 ILE A 88 4.121 2.743 -27.832 1.00 22.12 H new ATOM 0 HG22 ILE A 88 5.581 2.365 -28.778 1.00 22.12 H new ATOM 0 HG23 ILE A 88 5.720 3.267 -27.250 1.00 22.12 H new ATOM 0 HD11 ILE A 88 2.745 6.991 -28.126 1.00 43.44 H new ATOM 0 HD12 ILE A 88 3.717 6.811 -29.606 1.00 43.44 H new ATOM 0 HD13 ILE A 88 2.457 5.616 -29.218 1.00 43.44 H new ATOM 1398 N LEU A 89 6.234 7.367 -29.330 1.00 63.03 N ATOM 1399 CA LEU A 89 6.077 8.695 -29.914 1.00 22.15 C ATOM 1400 C LEU A 89 7.255 9.034 -30.822 1.00 20.43 C ATOM 1401 O LEU A 89 7.109 9.111 -32.042 1.00 25.12 O ATOM 1402 CB LEU A 89 5.951 9.747 -28.810 1.00 33.52 C ATOM 1403 CG LEU A 89 5.735 11.187 -29.276 1.00 62.44 C ATOM 1404 CD1 LEU A 89 4.477 11.768 -28.650 1.00 61.13 C ATOM 1405 CD2 LEU A 89 6.946 12.044 -28.938 1.00 63.33 C ATOM 0 H LEU A 89 6.416 7.366 -28.326 1.00 63.03 H new ATOM 0 HA LEU A 89 5.167 8.695 -30.515 1.00 22.15 H new ATOM 0 HB2 LEU A 89 5.120 9.467 -28.163 1.00 33.52 H new ATOM 0 HB3 LEU A 89 6.854 9.715 -28.201 1.00 33.52 H new ATOM 0 HG LEU A 89 5.608 11.183 -30.359 1.00 62.44 H new ATOM 0 HD11 LEU A 89 4.340 12.793 -28.993 1.00 61.13 H new ATOM 0 HD12 LEU A 89 3.615 11.169 -28.943 1.00 61.13 H new ATOM 0 HD13 LEU A 89 4.573 11.759 -27.564 1.00 61.13 H new ATOM 0 HD21 LEU A 89 6.775 13.066 -29.277 1.00 63.33 H new ATOM 0 HD22 LEU A 89 7.104 12.041 -27.860 1.00 63.33 H new ATOM 0 HD23 LEU A 89 7.828 11.640 -29.435 1.00 63.33 H new ATOM 1417 N PHE A 90 8.422 9.233 -30.219 1.00 24.53 N ATOM 1418 CA PHE A 90 9.626 9.562 -30.973 1.00 62.50 C ATOM 1419 C PHE A 90 9.914 8.499 -32.030 1.00 35.35 C ATOM 1420 O PHE A 90 9.928 8.786 -33.226 1.00 24.43 O ATOM 1421 CB PHE A 90 10.824 9.696 -30.030 1.00 53.11 C ATOM 1422 CG PHE A 90 11.892 10.618 -30.545 1.00 73.03 C ATOM 1423 CD1 PHE A 90 12.479 10.398 -31.781 1.00 34.40 C ATOM 1424 CD2 PHE A 90 12.308 11.705 -29.794 1.00 45.22 C ATOM 1425 CE1 PHE A 90 13.462 11.244 -32.257 1.00 21.11 C ATOM 1426 CE2 PHE A 90 13.291 12.555 -30.265 1.00 44.32 C ATOM 1427 CZ PHE A 90 13.868 12.325 -31.499 1.00 21.23 C ATOM 0 H PHE A 90 8.560 9.172 -29.210 1.00 24.53 H new ATOM 0 HA PHE A 90 9.460 10.515 -31.476 1.00 62.50 H new ATOM 0 HB2 PHE A 90 10.476 10.060 -29.063 1.00 53.11 H new ATOM 0 HB3 PHE A 90 11.257 8.710 -29.863 1.00 53.11 H new ATOM 0 HD1 PHE A 90 12.164 9.555 -32.379 1.00 34.40 H new ATOM 0 HD2 PHE A 90 11.859 11.891 -28.829 1.00 45.22 H new ATOM 0 HE1 PHE A 90 13.913 11.060 -33.221 1.00 21.11 H new ATOM 0 HE2 PHE A 90 13.608 13.398 -29.669 1.00 44.32 H new ATOM 0 HZ PHE A 90 14.635 12.989 -31.870 1.00 21.23 H new ATOM 1437 N ASN A 91 10.142 7.270 -31.577 1.00 72.13 N ATOM 1438 CA ASN A 91 10.430 6.164 -32.483 1.00 20.53 C ATOM 1439 C ASN A 91 10.675 4.874 -31.705 1.00 71.12 C ATOM 1440 O ASN A 91 11.711 4.712 -31.062 1.00 31.22 O ATOM 1441 CB ASN A 91 11.649 6.490 -33.348 1.00 71.32 C ATOM 1442 CG ASN A 91 11.328 6.469 -34.830 1.00 72.02 C ATOM 1443 OD1 ASN A 91 11.679 7.392 -35.566 1.00 23.52 O ATOM 1444 ND2 ASN A 91 10.656 5.413 -35.275 1.00 43.32 N ATOM 0 H ASN A 91 10.133 7.015 -30.589 1.00 72.13 H new ATOM 0 HA ASN A 91 9.563 6.020 -33.128 1.00 20.53 H new ATOM 0 HB2 ASN A 91 12.032 7.474 -33.076 1.00 71.32 H new ATOM 0 HB3 ASN A 91 12.441 5.771 -33.140 1.00 71.32 H new ATOM 0 HD21 ASN A 91 10.411 5.344 -36.263 1.00 43.32 H new ATOM 0 HD22 ASN A 91 10.385 4.671 -34.629 1.00 43.32 H new ATOM 1451 N GLY A 92 9.713 3.958 -31.770 1.00 41.13 N ATOM 1452 CA GLY A 92 9.843 2.694 -31.069 1.00 3.43 C ATOM 1453 C GLY A 92 8.915 1.629 -31.617 1.00 21.32 C ATOM 1454 O GLY A 92 9.359 0.690 -32.278 1.00 14.13 O ATOM 0 H GLY A 92 8.846 4.069 -32.296 1.00 41.13 H new ATOM 0 HA2 GLY A 92 10.873 2.346 -31.142 1.00 3.43 H new ATOM 0 HA3 GLY A 92 9.632 2.846 -30.010 1.00 3.43 H new ATOM 1458 N ALA A 93 7.623 1.772 -31.341 1.00 1.45 N ATOM 1459 CA ALA A 93 6.630 0.814 -31.811 1.00 3.41 C ATOM 1460 C ALA A 93 5.987 1.284 -33.111 1.00 43.14 C ATOM 1461 O ALA A 93 6.148 0.654 -34.156 1.00 50.01 O ATOM 1462 CB ALA A 93 5.567 0.590 -30.745 1.00 65.25 C ATOM 0 H ALA A 93 7.239 2.543 -30.794 1.00 1.45 H new ATOM 0 HA ALA A 93 7.137 -0.131 -32.007 1.00 3.41 H new ATOM 0 HB1 ALA A 93 4.832 -0.128 -31.109 1.00 65.25 H new ATOM 0 HB2 ALA A 93 6.035 0.202 -29.840 1.00 65.25 H new ATOM 0 HB3 ALA A 93 5.072 1.535 -30.521 1.00 65.25 H new ATOM 1468 N GLU A 94 5.259 2.394 -33.039 1.00 72.32 N ATOM 1469 CA GLU A 94 4.591 2.946 -34.212 1.00 34.32 C ATOM 1470 C GLU A 94 3.657 1.916 -34.841 1.00 73.20 C ATOM 1471 O GLU A 94 3.322 2.005 -36.021 1.00 74.04 O ATOM 1472 CB GLU A 94 5.622 3.412 -35.242 1.00 32.23 C ATOM 1473 CG GLU A 94 5.248 4.714 -35.931 1.00 24.43 C ATOM 1474 CD GLU A 94 5.496 5.928 -35.057 1.00 63.00 C ATOM 1475 OE1 GLU A 94 6.668 6.178 -34.706 1.00 22.32 O ATOM 1476 OE2 GLU A 94 4.517 6.629 -34.725 1.00 23.22 O ATOM 0 H GLU A 94 5.117 2.928 -32.182 1.00 72.32 H new ATOM 0 HA GLU A 94 3.997 3.802 -33.891 1.00 34.32 H new ATOM 0 HB2 GLU A 94 6.586 3.536 -34.748 1.00 32.23 H new ATOM 0 HB3 GLU A 94 5.747 2.635 -35.996 1.00 32.23 H new ATOM 0 HG2 GLU A 94 5.822 4.811 -36.853 1.00 24.43 H new ATOM 0 HG3 GLU A 94 4.195 4.683 -36.213 1.00 24.43 H new ATOM 1483 N GLY A 95 3.240 0.937 -34.043 1.00 4.21 N ATOM 1484 CA GLY A 95 2.350 -0.096 -34.538 1.00 62.25 C ATOM 1485 C GLY A 95 2.246 -1.275 -33.591 1.00 14.32 C ATOM 1486 O GLY A 95 1.239 -1.982 -33.578 1.00 72.25 O ATOM 0 H GLY A 95 3.503 0.842 -33.062 1.00 4.21 H new ATOM 0 HA2 GLY A 95 1.358 0.328 -34.695 1.00 62.25 H new ATOM 0 HA3 GLY A 95 2.706 -0.443 -35.508 1.00 62.25 H new ATOM 1490 N ALA A 96 3.289 -1.487 -32.796 1.00 22.21 N ATOM 1491 CA ALA A 96 3.310 -2.588 -31.841 1.00 1.04 C ATOM 1492 C ALA A 96 3.428 -2.072 -30.411 1.00 10.34 C ATOM 1493 O ALA A 96 4.320 -2.477 -29.665 1.00 64.15 O ATOM 1494 CB ALA A 96 4.455 -3.539 -32.156 1.00 71.14 C ATOM 0 H ALA A 96 4.131 -0.911 -32.794 1.00 22.21 H new ATOM 0 HA ALA A 96 2.368 -3.129 -31.928 1.00 1.04 H new ATOM 0 HB1 ALA A 96 4.458 -4.356 -31.435 1.00 71.14 H new ATOM 0 HB2 ALA A 96 4.327 -3.942 -33.161 1.00 71.14 H new ATOM 0 HB3 ALA A 96 5.401 -3.001 -32.099 1.00 71.14 H new ATOM 1500 N TYR A 97 2.523 -1.175 -30.034 1.00 61.10 N ATOM 1501 CA TYR A 97 2.528 -0.601 -28.694 1.00 11.12 C ATOM 1502 C TYR A 97 2.564 -1.696 -27.632 1.00 55.01 C ATOM 1503 O TYR A 97 3.090 -1.498 -26.538 1.00 10.14 O ATOM 1504 CB TYR A 97 1.296 0.282 -28.490 1.00 53.32 C ATOM 1505 CG TYR A 97 -0.008 -0.483 -28.515 1.00 54.42 C ATOM 1506 CD1 TYR A 97 -0.516 -1.066 -27.361 1.00 31.21 C ATOM 1507 CD2 TYR A 97 -0.732 -0.622 -29.693 1.00 32.52 C ATOM 1508 CE1 TYR A 97 -1.707 -1.767 -27.379 1.00 2.41 C ATOM 1509 CE2 TYR A 97 -1.924 -1.320 -29.720 1.00 14.32 C ATOM 1510 CZ TYR A 97 -2.407 -1.890 -28.561 1.00 34.14 C ATOM 1511 OH TYR A 97 -3.594 -2.587 -28.584 1.00 1.33 O ATOM 0 H TYR A 97 1.777 -0.830 -30.638 1.00 61.10 H new ATOM 0 HA TYR A 97 3.425 0.009 -28.591 1.00 11.12 H new ATOM 0 HB2 TYR A 97 1.385 0.801 -27.535 1.00 53.32 H new ATOM 0 HB3 TYR A 97 1.274 1.046 -29.267 1.00 53.32 H new ATOM 0 HD1 TYR A 97 0.029 -0.970 -26.434 1.00 31.21 H new ATOM 0 HD2 TYR A 97 -0.357 -0.177 -30.603 1.00 32.52 H new ATOM 0 HE1 TYR A 97 -2.087 -2.216 -26.473 1.00 2.41 H new ATOM 0 HE2 TYR A 97 -2.475 -1.419 -30.644 1.00 14.32 H new ATOM 0 HH TYR A 97 -3.961 -2.579 -29.493 1.00 1.33 H new ATOM 1521 N ALA A 98 2.000 -2.852 -27.965 1.00 74.41 N ATOM 1522 CA ALA A 98 1.968 -3.981 -27.043 1.00 5.32 C ATOM 1523 C ALA A 98 3.371 -4.334 -26.560 1.00 1.32 C ATOM 1524 O ALA A 98 3.543 -4.889 -25.474 1.00 72.05 O ATOM 1525 CB ALA A 98 1.317 -5.186 -27.705 1.00 43.10 C ATOM 0 H ALA A 98 1.559 -3.032 -28.867 1.00 74.41 H new ATOM 0 HA ALA A 98 1.374 -3.693 -26.175 1.00 5.32 H new ATOM 0 HB1 ALA A 98 1.300 -6.021 -27.005 1.00 43.10 H new ATOM 0 HB2 ALA A 98 0.297 -4.935 -27.995 1.00 43.10 H new ATOM 0 HB3 ALA A 98 1.887 -5.467 -28.591 1.00 43.10 H new ATOM 1531 N ASP A 99 4.371 -4.009 -27.372 1.00 54.12 N ATOM 1532 CA ASP A 99 5.759 -4.292 -27.027 1.00 41.42 C ATOM 1533 C ASP A 99 6.203 -3.454 -25.832 1.00 64.11 C ATOM 1534 O ASP A 99 6.976 -3.915 -24.992 1.00 13.51 O ATOM 1535 CB ASP A 99 6.670 -4.018 -28.225 1.00 3.23 C ATOM 1536 CG ASP A 99 6.452 -5.003 -29.356 1.00 34.11 C ATOM 1537 OD1 ASP A 99 5.847 -6.067 -29.107 1.00 52.21 O ATOM 1538 OD2 ASP A 99 6.886 -4.711 -30.490 1.00 60.10 O ATOM 0 H ASP A 99 4.246 -3.549 -28.274 1.00 54.12 H new ATOM 0 HA ASP A 99 5.834 -5.345 -26.757 1.00 41.42 H new ATOM 0 HB2 ASP A 99 6.492 -3.006 -28.589 1.00 3.23 H new ATOM 0 HB3 ASP A 99 7.711 -4.063 -27.904 1.00 3.23 H new ATOM 1543 N ALA A 100 5.711 -2.222 -25.764 1.00 11.41 N ATOM 1544 CA ALA A 100 6.056 -1.320 -24.672 1.00 24.33 C ATOM 1545 C ALA A 100 5.233 -1.627 -23.425 1.00 53.05 C ATOM 1546 O ALA A 100 5.649 -1.329 -22.306 1.00 71.43 O ATOM 1547 CB ALA A 100 5.855 0.126 -25.097 1.00 55.43 C ATOM 0 H ALA A 100 5.072 -1.825 -26.453 1.00 11.41 H new ATOM 0 HA ALA A 100 7.107 -1.472 -24.428 1.00 24.33 H new ATOM 0 HB1 ALA A 100 6.117 0.788 -24.271 1.00 55.43 H new ATOM 0 HB2 ALA A 100 6.492 0.345 -25.954 1.00 55.43 H new ATOM 0 HB3 ALA A 100 4.812 0.283 -25.371 1.00 55.43 H new ATOM 1553 N ALA A 101 4.062 -2.223 -23.627 1.00 41.14 N ATOM 1554 CA ALA A 101 3.181 -2.571 -22.520 1.00 11.23 C ATOM 1555 C ALA A 101 3.753 -3.725 -21.704 1.00 64.35 C ATOM 1556 O ALA A 101 3.554 -3.800 -20.492 1.00 33.40 O ATOM 1557 CB ALA A 101 1.795 -2.925 -23.039 1.00 2.22 C ATOM 0 H ALA A 101 3.702 -2.475 -24.548 1.00 41.14 H new ATOM 0 HA ALA A 101 3.101 -1.703 -21.866 1.00 11.23 H new ATOM 0 HB1 ALA A 101 1.148 -3.183 -22.201 1.00 2.22 H new ATOM 0 HB2 ALA A 101 1.377 -2.071 -23.571 1.00 2.22 H new ATOM 0 HB3 ALA A 101 1.867 -3.775 -23.717 1.00 2.22 H new ATOM 1563 N ARG A 102 4.465 -4.623 -22.378 1.00 31.42 N ATOM 1564 CA ARG A 102 5.064 -5.776 -21.716 1.00 5.55 C ATOM 1565 C ARG A 102 5.988 -5.333 -20.585 1.00 2.44 C ATOM 1566 O ARG A 102 5.865 -5.796 -19.450 1.00 5.30 O ATOM 1567 CB ARG A 102 5.844 -6.621 -22.724 1.00 24.43 C ATOM 1568 CG ARG A 102 5.807 -8.112 -22.426 1.00 41.55 C ATOM 1569 CD ARG A 102 6.982 -8.536 -21.560 1.00 22.33 C ATOM 1570 NE ARG A 102 8.191 -8.760 -22.348 1.00 1.20 N ATOM 1571 CZ ARG A 102 8.379 -9.825 -23.119 1.00 23.10 C ATOM 1572 NH1 ARG A 102 7.442 -10.759 -23.205 1.00 61.01 N ATOM 1573 NH2 ARG A 102 9.507 -9.957 -23.806 1.00 74.42 N ATOM 0 H ARG A 102 4.641 -4.574 -23.382 1.00 31.42 H new ATOM 0 HA ARG A 102 4.261 -6.378 -21.292 1.00 5.55 H new ATOM 0 HB2 ARG A 102 5.439 -6.448 -23.721 1.00 24.43 H new ATOM 0 HB3 ARG A 102 6.882 -6.288 -22.739 1.00 24.43 H new ATOM 0 HG2 ARG A 102 4.873 -8.360 -21.921 1.00 41.55 H new ATOM 0 HG3 ARG A 102 5.822 -8.672 -23.361 1.00 41.55 H new ATOM 0 HD2 ARG A 102 7.175 -7.769 -20.810 1.00 22.33 H new ATOM 0 HD3 ARG A 102 6.725 -9.449 -21.023 1.00 22.33 H new ATOM 0 HE ARG A 102 8.932 -8.060 -22.304 1.00 1.20 H new ATOM 0 HH11 ARG A 102 6.574 -10.661 -22.678 1.00 61.01 H new ATOM 0 HH12 ARG A 102 7.589 -11.576 -23.798 1.00 61.01 H new ATOM 0 HH21 ARG A 102 10.230 -9.240 -23.742 1.00 74.42 H new ATOM 0 HH22 ARG A 102 9.651 -10.775 -24.398 1.00 74.42 H new ATOM 1587 N THR A 103 6.914 -4.433 -20.902 1.00 2.15 N ATOM 1588 CA THR A 103 7.860 -3.929 -19.914 1.00 14.43 C ATOM 1589 C THR A 103 7.150 -3.109 -18.842 1.00 43.52 C ATOM 1590 O THR A 103 7.549 -3.113 -17.677 1.00 73.33 O ATOM 1591 CB THR A 103 8.949 -3.061 -20.571 1.00 3.51 C ATOM 1592 OG1 THR A 103 9.822 -2.527 -19.568 1.00 74.23 O ATOM 1593 CG2 THR A 103 8.328 -1.923 -21.367 1.00 11.10 C ATOM 0 H THR A 103 7.029 -4.038 -21.835 1.00 2.15 H new ATOM 0 HA THR A 103 8.328 -4.798 -19.452 1.00 14.43 H new ATOM 0 HB THR A 103 9.521 -3.690 -21.253 1.00 3.51 H new ATOM 0 HG1 THR A 103 10.512 -1.977 -19.994 1.00 74.23 H new ATOM 0 HG21 THR A 103 9.117 -1.324 -21.822 1.00 11.10 H new ATOM 0 HG22 THR A 103 7.688 -2.333 -22.148 1.00 11.10 H new ATOM 0 HG23 THR A 103 7.734 -1.296 -20.702 1.00 11.10 H new ATOM 1601 N PHE A 104 6.096 -2.405 -19.243 1.00 64.20 N ATOM 1602 CA PHE A 104 5.331 -1.579 -18.316 1.00 60.43 C ATOM 1603 C PHE A 104 4.835 -2.406 -17.133 1.00 43.03 C ATOM 1604 O PHE A 104 5.119 -2.088 -15.979 1.00 65.21 O ATOM 1605 CB PHE A 104 4.144 -0.934 -19.035 1.00 63.53 C ATOM 1606 CG PHE A 104 3.239 -0.160 -18.121 1.00 53.43 C ATOM 1607 CD1 PHE A 104 3.576 1.120 -17.712 1.00 5.33 C ATOM 1608 CD2 PHE A 104 2.050 -0.711 -17.672 1.00 54.20 C ATOM 1609 CE1 PHE A 104 2.745 1.835 -16.870 1.00 43.11 C ATOM 1610 CE2 PHE A 104 1.214 -0.001 -16.830 1.00 41.45 C ATOM 1611 CZ PHE A 104 1.562 1.274 -16.430 1.00 1.51 C ATOM 0 H PHE A 104 5.752 -2.390 -20.203 1.00 64.20 H new ATOM 0 HA PHE A 104 5.988 -0.795 -17.939 1.00 60.43 H new ATOM 0 HB2 PHE A 104 4.519 -0.268 -19.812 1.00 63.53 H new ATOM 0 HB3 PHE A 104 3.565 -1.712 -19.533 1.00 63.53 H new ATOM 0 HD1 PHE A 104 4.499 1.564 -18.055 1.00 5.33 H new ATOM 0 HD2 PHE A 104 1.773 -1.707 -17.983 1.00 54.20 H new ATOM 0 HE1 PHE A 104 3.020 2.831 -16.557 1.00 43.11 H new ATOM 0 HE2 PHE A 104 0.291 -0.443 -16.486 1.00 41.45 H new ATOM 0 HZ PHE A 104 0.910 1.832 -15.774 1.00 1.51 H new ATOM 1621 N GLU A 105 4.092 -3.467 -17.431 1.00 22.43 N ATOM 1622 CA GLU A 105 3.556 -4.339 -16.392 1.00 13.32 C ATOM 1623 C GLU A 105 4.675 -4.890 -15.512 1.00 54.25 C ATOM 1624 O GLU A 105 4.541 -4.964 -14.291 1.00 34.12 O ATOM 1625 CB GLU A 105 2.769 -5.492 -17.018 1.00 64.23 C ATOM 1626 CG GLU A 105 1.334 -5.133 -17.365 1.00 3.01 C ATOM 1627 CD GLU A 105 0.905 -5.681 -18.712 1.00 32.21 C ATOM 1628 OE1 GLU A 105 0.394 -6.820 -18.754 1.00 43.13 O ATOM 1629 OE2 GLU A 105 1.079 -4.970 -19.724 1.00 23.31 O ATOM 0 H GLU A 105 3.848 -3.743 -18.382 1.00 22.43 H new ATOM 0 HA GLU A 105 2.885 -3.748 -15.768 1.00 13.32 H new ATOM 0 HB2 GLU A 105 3.281 -5.821 -17.922 1.00 64.23 H new ATOM 0 HB3 GLU A 105 2.767 -6.336 -16.328 1.00 64.23 H new ATOM 0 HG2 GLU A 105 0.670 -5.519 -16.592 1.00 3.01 H new ATOM 0 HG3 GLU A 105 1.225 -4.048 -17.367 1.00 3.01 H new ATOM 1636 N LYS A 106 5.779 -5.276 -16.143 1.00 14.11 N ATOM 1637 CA LYS A 106 6.922 -5.820 -15.420 1.00 43.14 C ATOM 1638 C LYS A 106 7.455 -4.812 -14.407 1.00 31.33 C ATOM 1639 O LYS A 106 7.792 -5.171 -13.278 1.00 63.03 O ATOM 1640 CB LYS A 106 8.032 -6.209 -16.400 1.00 30.44 C ATOM 1641 CG LYS A 106 8.362 -7.692 -16.387 1.00 11.03 C ATOM 1642 CD LYS A 106 7.158 -8.535 -16.773 1.00 12.42 C ATOM 1643 CE LYS A 106 7.550 -9.981 -17.031 1.00 33.42 C ATOM 1644 NZ LYS A 106 8.497 -10.104 -18.173 1.00 72.23 N ATOM 0 H LYS A 106 5.906 -5.222 -17.154 1.00 14.11 H new ATOM 0 HA LYS A 106 6.591 -6.709 -14.882 1.00 43.14 H new ATOM 0 HB2 LYS A 106 7.733 -5.921 -17.408 1.00 30.44 H new ATOM 0 HB3 LYS A 106 8.932 -5.643 -16.160 1.00 30.44 H new ATOM 0 HG2 LYS A 106 9.182 -7.889 -17.078 1.00 11.03 H new ATOM 0 HG3 LYS A 106 8.706 -7.980 -15.394 1.00 11.03 H new ATOM 0 HD2 LYS A 106 6.414 -8.495 -15.977 1.00 12.42 H new ATOM 0 HD3 LYS A 106 6.692 -8.118 -17.666 1.00 12.42 H new ATOM 0 HE2 LYS A 106 8.007 -10.399 -16.134 1.00 33.42 H new ATOM 0 HE3 LYS A 106 6.655 -10.569 -17.236 1.00 33.42 H new ATOM 0 HZ1 LYS A 106 8.467 -11.074 -18.546 1.00 72.23 H new ATOM 0 HZ2 LYS A 106 8.225 -9.437 -18.923 1.00 72.23 H new ATOM 0 HZ3 LYS A 106 9.461 -9.887 -17.849 1.00 72.23 H new ATOM 1658 N PHE A 107 7.526 -3.550 -14.816 1.00 5.13 N ATOM 1659 CA PHE A 107 8.018 -2.490 -13.943 1.00 35.14 C ATOM 1660 C PHE A 107 7.224 -2.448 -12.640 1.00 5.43 C ATOM 1661 O PHE A 107 7.798 -2.377 -11.553 1.00 43.14 O ATOM 1662 CB PHE A 107 7.931 -1.136 -14.650 1.00 73.21 C ATOM 1663 CG PHE A 107 9.248 -0.655 -15.188 1.00 20.30 C ATOM 1664 CD1 PHE A 107 9.868 -1.319 -16.235 1.00 13.23 C ATOM 1665 CD2 PHE A 107 9.866 0.460 -14.647 1.00 45.54 C ATOM 1666 CE1 PHE A 107 11.080 -0.879 -16.731 1.00 3.21 C ATOM 1667 CE2 PHE A 107 11.079 0.905 -15.140 1.00 11.43 C ATOM 1668 CZ PHE A 107 11.686 0.235 -16.184 1.00 0.34 C ATOM 0 H PHE A 107 7.249 -3.236 -15.746 1.00 5.13 H new ATOM 0 HA PHE A 107 9.061 -2.702 -13.707 1.00 35.14 H new ATOM 0 HB2 PHE A 107 7.217 -1.209 -15.471 1.00 73.21 H new ATOM 0 HB3 PHE A 107 7.540 -0.395 -13.952 1.00 73.21 H new ATOM 0 HD1 PHE A 107 9.398 -2.190 -16.668 1.00 13.23 H new ATOM 0 HD2 PHE A 107 9.395 0.988 -13.831 1.00 45.54 H new ATOM 0 HE1 PHE A 107 11.553 -1.406 -17.546 1.00 3.21 H new ATOM 0 HE2 PHE A 107 11.551 1.776 -14.709 1.00 11.43 H new ATOM 0 HZ PHE A 107 12.633 0.581 -16.572 1.00 0.34 H new ATOM 1678 N ALA A 108 5.901 -2.491 -12.758 1.00 4.43 N ATOM 1679 CA ALA A 108 5.029 -2.458 -11.590 1.00 71.55 C ATOM 1680 C ALA A 108 5.329 -3.620 -10.649 1.00 10.32 C ATOM 1681 O ALA A 108 5.303 -3.464 -9.428 1.00 43.33 O ATOM 1682 CB ALA A 108 3.570 -2.489 -12.021 1.00 70.11 C ATOM 0 H ALA A 108 5.410 -2.549 -13.650 1.00 4.43 H new ATOM 0 HA ALA A 108 5.218 -1.530 -11.051 1.00 71.55 H new ATOM 0 HB1 ALA A 108 2.930 -2.464 -11.139 1.00 70.11 H new ATOM 0 HB2 ALA A 108 3.358 -1.623 -12.649 1.00 70.11 H new ATOM 0 HB3 ALA A 108 3.376 -3.402 -12.584 1.00 70.11 H new ATOM 1688 N MET A 109 5.612 -4.784 -11.224 1.00 5.22 N ATOM 1689 CA MET A 109 5.918 -5.971 -10.434 1.00 72.45 C ATOM 1690 C MET A 109 7.132 -5.734 -9.543 1.00 5.02 C ATOM 1691 O MET A 109 7.119 -6.065 -8.358 1.00 61.21 O ATOM 1692 CB MET A 109 6.171 -7.169 -11.352 1.00 54.14 C ATOM 1693 CG MET A 109 6.171 -8.503 -10.624 1.00 65.32 C ATOM 1694 SD MET A 109 4.979 -9.669 -11.310 1.00 22.33 S ATOM 1695 CE MET A 109 3.612 -9.465 -10.170 1.00 64.12 C ATOM 0 H MET A 109 5.636 -4.931 -12.233 1.00 5.22 H new ATOM 0 HA MET A 109 5.059 -6.184 -9.798 1.00 72.45 H new ATOM 0 HB2 MET A 109 5.407 -7.189 -12.129 1.00 54.14 H new ATOM 0 HB3 MET A 109 7.131 -7.037 -11.852 1.00 54.14 H new ATOM 0 HG2 MET A 109 7.169 -8.939 -10.672 1.00 65.32 H new ATOM 0 HG3 MET A 109 5.946 -8.337 -9.570 1.00 65.32 H new ATOM 0 HE1 MET A 109 2.793 -10.123 -10.462 1.00 64.12 H new ATOM 0 HE2 MET A 109 3.939 -9.718 -9.161 1.00 64.12 H new ATOM 0 HE3 MET A 109 3.271 -8.430 -10.192 1.00 64.12 H new ATOM 1705 N GLY A 110 8.182 -5.158 -10.121 1.00 23.10 N ATOM 1706 CA GLY A 110 9.390 -4.887 -9.364 1.00 2.03 C ATOM 1707 C GLY A 110 9.134 -3.998 -8.163 1.00 45.42 C ATOM 1708 O GLY A 110 9.658 -4.243 -7.076 1.00 73.10 O ATOM 0 H GLY A 110 8.217 -4.874 -11.100 1.00 23.10 H new ATOM 0 HA2 GLY A 110 9.824 -5.829 -9.029 1.00 2.03 H new ATOM 0 HA3 GLY A 110 10.124 -4.411 -10.015 1.00 2.03 H new ATOM 1712 N LYS A 111 8.329 -2.959 -8.359 1.00 34.51 N ATOM 1713 CA LYS A 111 8.004 -2.029 -7.284 1.00 51.03 C ATOM 1714 C LYS A 111 7.458 -2.771 -6.068 1.00 43.04 C ATOM 1715 O LYS A 111 7.881 -2.525 -4.938 1.00 41.24 O ATOM 1716 CB LYS A 111 6.982 -0.997 -7.767 1.00 34.44 C ATOM 1717 CG LYS A 111 6.736 0.125 -6.774 1.00 13.43 C ATOM 1718 CD LYS A 111 5.510 -0.146 -5.917 1.00 42.03 C ATOM 1719 CE LYS A 111 5.244 0.995 -4.948 1.00 11.33 C ATOM 1720 NZ LYS A 111 3.821 1.030 -4.509 1.00 24.33 N ATOM 0 H LYS A 111 7.889 -2.740 -9.253 1.00 34.51 H new ATOM 0 HA LYS A 111 8.920 -1.515 -6.992 1.00 51.03 H new ATOM 0 HB2 LYS A 111 7.327 -0.569 -8.708 1.00 34.44 H new ATOM 0 HB3 LYS A 111 6.038 -1.502 -7.974 1.00 34.44 H new ATOM 0 HG2 LYS A 111 7.610 0.243 -6.133 1.00 13.43 H new ATOM 0 HG3 LYS A 111 6.605 1.065 -7.311 1.00 13.43 H new ATOM 0 HD2 LYS A 111 4.641 -0.290 -6.559 1.00 42.03 H new ATOM 0 HD3 LYS A 111 5.652 -1.072 -5.360 1.00 42.03 H new ATOM 0 HE2 LYS A 111 5.890 0.890 -4.077 1.00 11.33 H new ATOM 0 HE3 LYS A 111 5.501 1.942 -5.423 1.00 11.33 H new ATOM 0 HZ1 LYS A 111 3.657 1.879 -3.931 1.00 24.33 H new ATOM 0 HZ2 LYS A 111 3.201 1.054 -5.343 1.00 24.33 H new ATOM 0 HZ3 LYS A 111 3.611 0.182 -3.945 1.00 24.33 H new ATOM 1734 N ILE A 112 6.519 -3.680 -6.308 1.00 3.00 N ATOM 1735 CA ILE A 112 5.919 -4.459 -5.232 1.00 73.03 C ATOM 1736 C ILE A 112 6.985 -5.176 -4.411 1.00 62.03 C ATOM 1737 O ILE A 112 6.977 -5.121 -3.181 1.00 63.44 O ATOM 1738 CB ILE A 112 4.922 -5.499 -5.779 1.00 4.44 C ATOM 1739 CG1 ILE A 112 3.827 -4.808 -6.594 1.00 31.13 C ATOM 1740 CG2 ILE A 112 4.315 -6.301 -4.638 1.00 0.25 C ATOM 1741 CD1 ILE A 112 2.998 -5.763 -7.423 1.00 71.52 C ATOM 0 H ILE A 112 6.158 -3.895 -7.237 1.00 3.00 H new ATOM 0 HA ILE A 112 5.385 -3.756 -4.593 1.00 73.03 H new ATOM 0 HB ILE A 112 5.458 -6.185 -6.435 1.00 4.44 H new ATOM 0 HG12 ILE A 112 3.170 -4.263 -5.916 1.00 31.13 H new ATOM 0 HG13 ILE A 112 4.286 -4.071 -7.253 1.00 31.13 H new ATOM 0 HG21 ILE A 112 3.613 -7.031 -5.040 1.00 0.25 H new ATOM 0 HG22 ILE A 112 5.106 -6.819 -4.096 1.00 0.25 H new ATOM 0 HG23 ILE A 112 3.790 -5.628 -3.959 1.00 0.25 H new ATOM 0 HD11 ILE A 112 2.242 -5.204 -7.974 1.00 71.52 H new ATOM 0 HD12 ILE A 112 3.644 -6.290 -8.126 1.00 71.52 H new ATOM 0 HD13 ILE A 112 2.510 -6.484 -6.768 1.00 71.52 H new ATOM 1753 N ASP A 113 7.902 -5.846 -5.100 1.00 25.32 N ATOM 1754 CA ASP A 113 8.978 -6.572 -4.435 1.00 24.22 C ATOM 1755 C ASP A 113 9.737 -5.661 -3.475 1.00 52.31 C ATOM 1756 O ASP A 113 10.103 -6.070 -2.374 1.00 11.23 O ATOM 1757 CB ASP A 113 9.941 -7.159 -5.468 1.00 70.32 C ATOM 1758 CG ASP A 113 9.386 -8.402 -6.136 1.00 52.23 C ATOM 1759 OD1 ASP A 113 8.241 -8.347 -6.633 1.00 5.12 O ATOM 1760 OD2 ASP A 113 10.095 -9.429 -6.162 1.00 23.51 O ATOM 0 H ASP A 113 7.922 -5.902 -6.118 1.00 25.32 H new ATOM 0 HA ASP A 113 8.533 -7.385 -3.861 1.00 24.22 H new ATOM 0 HB2 ASP A 113 10.157 -6.408 -6.227 1.00 70.32 H new ATOM 0 HB3 ASP A 113 10.886 -7.402 -4.982 1.00 70.32 H new ATOM 1765 N ALA A 114 9.970 -4.424 -3.902 1.00 10.24 N ATOM 1766 CA ALA A 114 10.684 -3.454 -3.080 1.00 72.21 C ATOM 1767 C ALA A 114 9.930 -3.171 -1.785 1.00 22.51 C ATOM 1768 O ALA A 114 10.526 -3.109 -0.709 1.00 62.43 O ATOM 1769 CB ALA A 114 10.904 -2.165 -3.857 1.00 3.30 C ATOM 0 H ALA A 114 9.675 -4.070 -4.812 1.00 10.24 H new ATOM 0 HA ALA A 114 11.653 -3.879 -2.820 1.00 72.21 H new ATOM 0 HB1 ALA A 114 11.438 -1.450 -3.231 1.00 3.30 H new ATOM 0 HB2 ALA A 114 11.491 -2.375 -4.751 1.00 3.30 H new ATOM 0 HB3 ALA A 114 9.940 -1.746 -4.146 1.00 3.30 H new ATOM 1775 N TYR A 115 8.618 -3.000 -1.895 1.00 74.22 N ATOM 1776 CA TYR A 115 7.783 -2.721 -0.733 1.00 10.32 C ATOM 1777 C TYR A 115 8.023 -3.747 0.370 1.00 70.52 C ATOM 1778 O TYR A 115 8.200 -3.393 1.536 1.00 41.34 O ATOM 1779 CB TYR A 115 6.305 -2.717 -1.129 1.00 5.13 C ATOM 1780 CG TYR A 115 5.362 -2.672 0.052 1.00 23.43 C ATOM 1781 CD1 TYR A 115 5.631 -1.865 1.151 1.00 52.34 C ATOM 1782 CD2 TYR A 115 4.203 -3.438 0.070 1.00 24.54 C ATOM 1783 CE1 TYR A 115 4.772 -1.821 2.232 1.00 25.22 C ATOM 1784 CE2 TYR A 115 3.339 -3.400 1.147 1.00 74.20 C ATOM 1785 CZ TYR A 115 3.628 -2.590 2.225 1.00 35.34 C ATOM 1786 OH TYR A 115 2.769 -2.550 3.300 1.00 23.44 O ATOM 0 H TYR A 115 8.109 -3.050 -2.778 1.00 74.22 H new ATOM 0 HA TYR A 115 8.053 -1.736 -0.352 1.00 10.32 H new ATOM 0 HB2 TYR A 115 6.112 -1.857 -1.771 1.00 5.13 H new ATOM 0 HB3 TYR A 115 6.093 -3.609 -1.719 1.00 5.13 H new ATOM 0 HD1 TYR A 115 6.527 -1.262 1.160 1.00 52.34 H new ATOM 0 HD2 TYR A 115 3.974 -4.074 -0.772 1.00 24.54 H new ATOM 0 HE1 TYR A 115 4.995 -1.188 3.078 1.00 25.22 H new ATOM 0 HE2 TYR A 115 2.442 -4.001 1.145 1.00 74.20 H new ATOM 0 HH TYR A 115 2.011 -3.149 3.136 1.00 23.44 H new ATOM 1796 N ILE A 116 8.028 -5.021 -0.008 1.00 72.31 N ATOM 1797 CA ILE A 116 8.248 -6.100 0.947 1.00 32.11 C ATOM 1798 C ILE A 116 9.622 -5.987 1.598 1.00 42.51 C ATOM 1799 O ILE A 116 9.787 -6.287 2.780 1.00 3.21 O ATOM 1800 CB ILE A 116 8.123 -7.481 0.276 1.00 55.41 C ATOM 1801 CG1 ILE A 116 6.743 -7.636 -0.367 1.00 51.12 C ATOM 1802 CG2 ILE A 116 8.367 -8.587 1.291 1.00 64.21 C ATOM 1803 CD1 ILE A 116 6.612 -8.876 -1.224 1.00 52.41 C ATOM 0 H ILE A 116 7.882 -5.331 -0.969 1.00 72.31 H new ATOM 0 HA ILE A 116 7.477 -6.005 1.712 1.00 32.11 H new ATOM 0 HB ILE A 116 8.879 -7.559 -0.506 1.00 55.41 H new ATOM 0 HG12 ILE A 116 5.987 -7.665 0.417 1.00 51.12 H new ATOM 0 HG13 ILE A 116 6.535 -6.758 -0.978 1.00 51.12 H new ATOM 0 HG21 ILE A 116 8.275 -9.557 0.802 1.00 64.21 H new ATOM 0 HG22 ILE A 116 9.369 -8.484 1.707 1.00 64.21 H new ATOM 0 HG23 ILE A 116 7.632 -8.514 2.092 1.00 64.21 H new ATOM 0 HD11 ILE A 116 5.609 -8.921 -1.648 1.00 52.41 H new ATOM 0 HD12 ILE A 116 7.345 -8.840 -2.030 1.00 52.41 H new ATOM 0 HD13 ILE A 116 6.788 -9.761 -0.613 1.00 52.41 H new ATOM 1815 N SER A 117 10.606 -5.549 0.818 1.00 32.21 N ATOM 1816 CA SER A 117 11.967 -5.397 1.318 1.00 63.34 C ATOM 1817 C SER A 117 12.035 -4.313 2.388 1.00 2.35 C ATOM 1818 O SER A 117 12.716 -4.469 3.402 1.00 52.22 O ATOM 1819 CB SER A 117 12.919 -5.057 0.170 1.00 43.45 C ATOM 1820 OG SER A 117 13.427 -6.232 -0.438 1.00 10.11 O ATOM 0 H SER A 117 10.486 -5.293 -0.162 1.00 32.21 H new ATOM 0 HA SER A 117 12.271 -6.343 1.765 1.00 63.34 H new ATOM 0 HB2 SER A 117 12.396 -4.456 -0.574 1.00 43.45 H new ATOM 0 HB3 SER A 117 13.745 -4.452 0.545 1.00 43.45 H new ATOM 0 HG SER A 117 14.031 -5.987 -1.170 1.00 10.11 H new ATOM 1826 N GLN A 118 11.324 -3.214 2.155 1.00 65.10 N ATOM 1827 CA GLN A 118 11.304 -2.103 3.099 1.00 44.12 C ATOM 1828 C GLN A 118 9.940 -1.982 3.769 1.00 73.51 C ATOM 1829 O GLN A 118 9.169 -1.069 3.473 1.00 71.23 O ATOM 1830 CB GLN A 118 11.653 -0.795 2.387 1.00 43.13 C ATOM 1831 CG GLN A 118 10.813 -0.534 1.147 1.00 15.14 C ATOM 1832 CD GLN A 118 11.650 -0.400 -0.109 1.00 25.31 C ATOM 1833 OE1 GLN A 118 11.465 0.528 -0.897 1.00 21.51 O ATOM 1834 NE2 GLN A 118 12.580 -1.329 -0.303 1.00 13.05 N ATOM 0 H GLN A 118 10.755 -3.069 1.321 1.00 65.10 H new ATOM 0 HA GLN A 118 12.050 -2.300 3.869 1.00 44.12 H new ATOM 0 HB2 GLN A 118 11.525 0.034 3.084 1.00 43.13 H new ATOM 0 HB3 GLN A 118 12.706 -0.814 2.105 1.00 43.13 H new ATOM 0 HG2 GLN A 118 10.100 -1.348 1.018 1.00 15.14 H new ATOM 0 HG3 GLN A 118 10.233 0.378 1.291 1.00 15.14 H new ATOM 0 HE21 GLN A 118 12.699 -2.081 0.376 1.00 13.05 H new ATOM 0 HE22 GLN A 118 13.175 -1.290 -1.131 1.00 13.05 H new ATOM 1843 N LYS A 119 9.646 -2.910 4.674 1.00 64.34 N ATOM 1844 CA LYS A 119 8.375 -2.909 5.387 1.00 10.24 C ATOM 1845 C LYS A 119 8.594 -2.743 6.888 1.00 74.21 C ATOM 1846 O LYS A 119 7.660 -2.445 7.632 1.00 13.43 O ATOM 1847 CB LYS A 119 7.611 -4.206 5.113 1.00 52.13 C ATOM 1848 CG LYS A 119 6.137 -4.132 5.473 1.00 1.31 C ATOM 1849 CD LYS A 119 5.698 -5.344 6.276 1.00 32.34 C ATOM 1850 CE LYS A 119 4.302 -5.157 6.850 1.00 13.33 C ATOM 1851 NZ LYS A 119 4.110 -5.931 8.108 1.00 62.23 N ATOM 0 H LYS A 119 10.272 -3.673 4.931 1.00 64.34 H new ATOM 0 HA LYS A 119 7.786 -2.065 5.027 1.00 10.24 H new ATOM 0 HB2 LYS A 119 7.706 -4.457 4.057 1.00 52.13 H new ATOM 0 HB3 LYS A 119 8.074 -5.016 5.676 1.00 52.13 H new ATOM 0 HG2 LYS A 119 5.947 -3.225 6.048 1.00 1.31 H new ATOM 0 HG3 LYS A 119 5.542 -4.063 4.562 1.00 1.31 H new ATOM 0 HD2 LYS A 119 5.715 -6.229 5.640 1.00 32.34 H new ATOM 0 HD3 LYS A 119 6.405 -5.520 7.087 1.00 32.34 H new ATOM 0 HE2 LYS A 119 4.128 -4.099 7.045 1.00 13.33 H new ATOM 0 HE3 LYS A 119 3.562 -5.471 6.114 1.00 13.33 H new ATOM 0 HZ1 LYS A 119 3.146 -5.777 8.467 1.00 62.23 H new ATOM 0 HZ2 LYS A 119 4.250 -6.944 7.917 1.00 62.23 H new ATOM 0 HZ3 LYS A 119 4.799 -5.614 8.819 1.00 62.23 H new ATOM 1865 N VAL A 120 9.834 -2.938 7.326 1.00 54.22 N ATOM 1866 CA VAL A 120 10.175 -2.807 8.737 1.00 22.42 C ATOM 1867 C VAL A 120 10.043 -1.362 9.203 1.00 13.14 C ATOM 1868 O VAL A 120 9.847 -1.096 10.388 1.00 34.35 O ATOM 1869 CB VAL A 120 11.609 -3.295 9.015 1.00 65.41 C ATOM 1870 CG1 VAL A 120 12.615 -2.482 8.214 1.00 31.01 C ATOM 1871 CG2 VAL A 120 11.917 -3.224 10.503 1.00 45.41 C ATOM 0 H VAL A 120 10.619 -3.187 6.724 1.00 54.22 H new ATOM 0 HA VAL A 120 9.473 -3.430 9.291 1.00 22.42 H new ATOM 0 HB VAL A 120 11.687 -4.336 8.701 1.00 65.41 H new ATOM 0 HG11 VAL A 120 13.623 -2.841 8.424 1.00 31.01 H new ATOM 0 HG12 VAL A 120 12.405 -2.590 7.150 1.00 31.01 H new ATOM 0 HG13 VAL A 120 12.539 -1.431 8.494 1.00 31.01 H new ATOM 0 HG21 VAL A 120 12.934 -3.573 10.681 1.00 45.41 H new ATOM 0 HG22 VAL A 120 11.821 -2.194 10.846 1.00 45.41 H new ATOM 0 HG23 VAL A 120 11.216 -3.855 11.050 1.00 45.41 H new ATOM 1881 N GLY A 121 10.151 -0.430 8.261 1.00 11.45 N ATOM 1882 CA GLY A 121 10.040 0.978 8.595 1.00 2.42 C ATOM 1883 C GLY A 121 10.508 1.880 7.470 1.00 60.53 C ATOM 1884 O GLY A 121 11.246 2.837 7.698 1.00 51.23 O ATOM 0 H GLY A 121 10.313 -0.625 7.273 1.00 11.45 H new ATOM 0 HA2 GLY A 121 9.002 1.210 8.835 1.00 2.42 H new ATOM 0 HA3 GLY A 121 10.628 1.183 9.490 1.00 2.42 H new ATOM 1888 N GLY A 122 10.079 1.571 6.249 1.00 11.55 N ATOM 1889 CA GLY A 122 10.470 2.369 5.102 1.00 1.31 C ATOM 1890 C GLY A 122 9.290 2.746 4.228 1.00 21.23 C ATOM 1891 O GLY A 122 9.155 3.899 3.818 1.00 15.55 O ATOM 0 H GLY A 122 9.468 0.783 6.035 1.00 11.55 H new ATOM 0 HA2 GLY A 122 10.967 3.276 5.447 1.00 1.31 H new ATOM 0 HA3 GLY A 122 11.196 1.814 4.508 1.00 1.31 H new ATOM 1895 N LEU A 123 8.435 1.771 3.940 1.00 13.22 N ATOM 1896 CA LEU A 123 7.260 2.006 3.107 1.00 21.53 C ATOM 1897 C LEU A 123 5.977 1.745 3.890 1.00 51.51 C ATOM 1898 O LEU A 123 4.900 2.194 3.500 1.00 74.03 O ATOM 1899 CB LEU A 123 7.304 1.112 1.866 1.00 1.14 C ATOM 1900 CG LEU A 123 7.600 1.817 0.542 1.00 32.00 C ATOM 1901 CD1 LEU A 123 8.912 2.581 0.625 1.00 1.04 C ATOM 1902 CD2 LEU A 123 7.637 0.812 -0.600 1.00 42.12 C ATOM 0 H LEU A 123 8.533 0.811 4.270 1.00 13.22 H new ATOM 0 HA LEU A 123 7.268 3.051 2.796 1.00 21.53 H new ATOM 0 HB2 LEU A 123 8.061 0.344 2.023 1.00 1.14 H new ATOM 0 HB3 LEU A 123 6.345 0.601 1.776 1.00 1.14 H new ATOM 0 HG LEU A 123 6.800 2.531 0.346 1.00 32.00 H new ATOM 0 HD11 LEU A 123 9.106 3.076 -0.327 1.00 1.04 H new ATOM 0 HD12 LEU A 123 8.849 3.328 1.416 1.00 1.04 H new ATOM 0 HD13 LEU A 123 9.724 1.887 0.845 1.00 1.04 H new ATOM 0 HD21 LEU A 123 7.849 1.331 -1.535 1.00 42.12 H new ATOM 0 HD22 LEU A 123 8.416 0.074 -0.410 1.00 42.12 H new ATOM 0 HD23 LEU A 123 6.672 0.310 -0.674 1.00 42.12 H new ATOM 1914 N GLU A 124 6.102 1.020 4.997 1.00 74.02 N ATOM 1915 CA GLU A 124 4.951 0.702 5.835 1.00 42.14 C ATOM 1916 C GLU A 124 3.878 -0.027 5.031 1.00 20.03 C ATOM 1917 O GLU A 124 2.844 0.548 4.694 1.00 34.23 O ATOM 1918 CB GLU A 124 4.368 1.979 6.444 1.00 22.45 C ATOM 1919 CG GLU A 124 3.251 1.721 7.442 1.00 42.40 C ATOM 1920 CD GLU A 124 2.407 2.954 7.704 1.00 65.13 C ATOM 1921 OE1 GLU A 124 1.773 3.452 6.751 1.00 52.41 O ATOM 1922 OE2 GLU A 124 2.382 3.420 8.862 1.00 21.53 O ATOM 0 H GLU A 124 6.987 0.642 5.334 1.00 74.02 H new ATOM 0 HA GLU A 124 5.288 0.046 6.638 1.00 42.14 H new ATOM 0 HB2 GLU A 124 5.166 2.533 6.939 1.00 22.45 H new ATOM 0 HB3 GLU A 124 3.989 2.614 5.643 1.00 22.45 H new ATOM 0 HG2 GLU A 124 2.612 0.921 7.068 1.00 42.40 H new ATOM 0 HG3 GLU A 124 3.681 1.373 8.381 1.00 42.40 H new TER 1929 GLU A 124