USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=24 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 51 ASN : amide:sc= -2.72! C(o=-3.1!,f=-5.7!) USER MOD Set 1.2: A 53 CYS SG : rot 155:sc= -0.345 USER MOD Set 2.1: A 27 ASN : amide:sc= -1.4 K(o=-2.1,f=1.8) USER MOD Set 2.2: A 32 GLN : amide:sc= -0.728 K(o=-2.1,f=1.8) USER MOD Set 3.1: A 2 SER OG : rot 130:sc= 0.23 USER MOD Set 3.2: A 111 LYS NZ :NH3+ 180:sc= 0.254 (180deg=-0.146) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.43) USER MOD Single : A 4 ASN : amide:sc= 0.0975 K(o=0.098,f=-3.6!) USER MOD Single : A 6 GLN : amide:sc= -2.28 K(o=-2.3,f=-4) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -111:sc= -1.44 (180deg=-6.83!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -69:sc= 0.529 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.198 USER MOD Single : A 37 GLN : amide:sc= -0.0579 K(o=-0.058,f=-1.1) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0261 USER MOD Single : A 45 TYR OH : rot 39:sc= 1.24 USER MOD Single : A 46 THR OG1 : rot -42:sc= 1.2 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.159 USER MOD Single : A 57 THR OG1 : rot -101:sc= 0.309 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= -1.92 K(o=-1.9,f=-0.33) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -85:sc= 0.804 USER MOD Single : A 77 LYS NZ :NH3+ -151:sc= 0.306 (180deg=-1.01) USER MOD Single : A 83 MET CE :methyl -150:sc= -5.13! (180deg=-7.02!) USER MOD Single : A 85 ASN : amide:sc= -0.539 K(o=-0.54,f=-1.1) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.22) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot -70:sc= 0.429 USER MOD Single : A 117 SER OG : rot 84:sc= 0.00734 USER MOD Single : A 118 GLN : amide:sc= -1.99 K(o=-2,f=-6.2!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.445 -0.030 -2.434 1.00 54.41 N ATOM 2 CA MET A 1 0.958 0.918 -1.438 1.00 43.53 C ATOM 3 C MET A 1 2.042 1.929 -1.075 1.00 72.02 C ATOM 4 O MET A 1 1.802 3.136 -1.072 1.00 15.33 O ATOM 5 CB MET A 1 0.493 0.178 -0.183 1.00 4.43 C ATOM 6 CG MET A 1 -1.005 0.273 0.059 1.00 65.54 C ATOM 7 SD MET A 1 -1.409 0.643 1.776 1.00 15.30 S ATOM 8 CE MET A 1 -1.755 -0.998 2.404 1.00 22.04 C ATOM 0 H1 MET A 1 0.691 -0.708 -2.666 1.00 54.41 H new ATOM 0 H2 MET A 1 1.725 0.483 -3.294 1.00 54.41 H new ATOM 0 H3 MET A 1 2.266 -0.542 -2.053 1.00 54.41 H new ATOM 0 HA MET A 1 0.113 1.456 -1.867 1.00 43.53 H new ATOM 0 HB2 MET A 1 0.773 -0.872 -0.266 1.00 4.43 H new ATOM 0 HB3 MET A 1 1.019 0.581 0.682 1.00 4.43 H new ATOM 0 HG2 MET A 1 -1.425 1.047 -0.584 1.00 65.54 H new ATOM 0 HG3 MET A 1 -1.476 -0.668 -0.226 1.00 65.54 H new ATOM 0 HE1 MET A 1 -2.022 -0.935 3.459 1.00 22.04 H new ATOM 0 HE2 MET A 1 -2.583 -1.434 1.846 1.00 22.04 H new ATOM 0 HE3 MET A 1 -0.871 -1.625 2.290 1.00 22.04 H new ATOM 18 N SER A 2 3.234 1.427 -0.770 1.00 3.51 N ATOM 19 CA SER A 2 4.353 2.287 -0.401 1.00 63.33 C ATOM 20 C SER A 2 3.958 3.243 0.720 1.00 54.14 C ATOM 21 O SER A 2 2.891 3.106 1.319 1.00 64.23 O ATOM 22 CB SER A 2 4.837 3.080 -1.617 1.00 33.11 C ATOM 23 OG SER A 2 4.298 2.553 -2.817 1.00 32.11 O ATOM 0 H SER A 2 3.450 0.430 -0.771 1.00 3.51 H new ATOM 0 HA SER A 2 5.164 1.652 -0.044 1.00 63.33 H new ATOM 0 HB2 SER A 2 4.547 4.125 -1.512 1.00 33.11 H new ATOM 0 HB3 SER A 2 5.926 3.055 -1.662 1.00 33.11 H new ATOM 0 HG SER A 2 3.903 3.278 -3.345 1.00 32.11 H new ATOM 29 N GLN A 3 4.825 4.211 0.996 1.00 11.44 N ATOM 30 CA GLN A 3 4.567 5.190 2.046 1.00 52.53 C ATOM 31 C GLN A 3 4.900 6.600 1.569 1.00 51.34 C ATOM 32 O GLN A 3 6.061 6.924 1.321 1.00 14.03 O ATOM 33 CB GLN A 3 5.382 4.856 3.296 1.00 42.40 C ATOM 34 CG GLN A 3 5.135 5.808 4.456 1.00 60.43 C ATOM 35 CD GLN A 3 3.668 6.151 4.627 1.00 63.34 C ATOM 36 OE1 GLN A 3 2.813 5.266 4.668 1.00 13.12 O ATOM 37 NE2 GLN A 3 3.370 7.441 4.727 1.00 34.31 N ATOM 0 H GLN A 3 5.712 4.339 0.508 1.00 11.44 H new ATOM 0 HA GLN A 3 3.506 5.150 2.292 1.00 52.53 H new ATOM 0 HB2 GLN A 3 5.145 3.841 3.613 1.00 42.40 H new ATOM 0 HB3 GLN A 3 6.442 4.872 3.043 1.00 42.40 H new ATOM 0 HG2 GLN A 3 5.509 5.358 5.376 1.00 60.43 H new ATOM 0 HG3 GLN A 3 5.702 6.725 4.296 1.00 60.43 H new ATOM 0 HE21 GLN A 3 4.112 8.140 4.688 1.00 34.31 H new ATOM 0 HE22 GLN A 3 2.400 7.733 4.843 1.00 34.31 H new ATOM 46 N ASN A 4 3.873 7.435 1.441 1.00 22.43 N ATOM 47 CA ASN A 4 4.057 8.810 0.993 1.00 42.13 C ATOM 48 C ASN A 4 4.747 9.645 2.067 1.00 23.01 C ATOM 49 O ASN A 4 4.094 10.357 2.830 1.00 75.14 O ATOM 50 CB ASN A 4 2.708 9.436 0.633 1.00 62.12 C ATOM 51 CG ASN A 4 1.680 9.266 1.734 1.00 11.44 C ATOM 52 OD1 ASN A 4 1.248 8.152 2.030 1.00 63.13 O ATOM 53 ND2 ASN A 4 1.282 10.375 2.348 1.00 23.10 N ATOM 0 H ASN A 4 2.905 7.183 1.641 1.00 22.43 H new ATOM 0 HA ASN A 4 4.691 8.795 0.107 1.00 42.13 H new ATOM 0 HB2 ASN A 4 2.846 10.498 0.429 1.00 62.12 H new ATOM 0 HB3 ASN A 4 2.333 8.982 -0.284 1.00 62.12 H new ATOM 0 HD21 ASN A 4 0.592 10.323 3.097 1.00 23.10 H new ATOM 0 HD22 ASN A 4 1.667 11.278 2.070 1.00 23.10 H new ATOM 60 N ARG A 5 6.072 9.553 2.121 1.00 60.44 N ATOM 61 CA ARG A 5 6.851 10.299 3.102 1.00 70.45 C ATOM 62 C ARG A 5 8.347 10.124 2.855 1.00 74.31 C ATOM 63 O ARG A 5 9.020 11.044 2.394 1.00 44.35 O ATOM 64 CB ARG A 5 6.500 9.840 4.518 1.00 11.52 C ATOM 65 CG ARG A 5 7.105 10.711 5.607 1.00 11.14 C ATOM 66 CD ARG A 5 7.207 9.962 6.927 1.00 54.21 C ATOM 67 NE ARG A 5 6.132 10.326 7.847 1.00 4.20 N ATOM 68 CZ ARG A 5 6.051 9.879 9.095 1.00 35.40 C ATOM 69 NH1 ARG A 5 6.975 9.055 9.569 1.00 31.14 N ATOM 70 NH2 ARG A 5 5.043 10.255 9.871 1.00 14.35 N ATOM 0 H ARG A 5 6.628 8.969 1.497 1.00 60.44 H new ATOM 0 HA ARG A 5 6.604 11.356 2.998 1.00 70.45 H new ATOM 0 HB2 ARG A 5 5.416 9.833 4.630 1.00 11.52 H new ATOM 0 HB3 ARG A 5 6.841 8.814 4.653 1.00 11.52 H new ATOM 0 HG2 ARG A 5 8.096 11.044 5.299 1.00 11.14 H new ATOM 0 HG3 ARG A 5 6.495 11.605 5.741 1.00 11.14 H new ATOM 0 HD2 ARG A 5 7.175 8.889 6.738 1.00 54.21 H new ATOM 0 HD3 ARG A 5 8.170 10.175 7.392 1.00 54.21 H new ATOM 0 HE ARG A 5 5.404 10.958 7.513 1.00 4.20 H new ATOM 0 HH11 ARG A 5 7.751 8.763 8.975 1.00 31.14 H new ATOM 0 HH12 ARG A 5 6.910 8.713 10.528 1.00 31.14 H new ATOM 0 HH21 ARG A 5 4.329 10.888 9.509 1.00 14.35 H new ATOM 0 HH22 ARG A 5 4.981 9.911 10.829 1.00 14.35 H new ATOM 84 N GLN A 6 8.858 8.937 3.166 1.00 34.11 N ATOM 85 CA GLN A 6 10.273 8.643 2.979 1.00 25.42 C ATOM 86 C GLN A 6 10.463 7.292 2.296 1.00 42.53 C ATOM 87 O GLN A 6 9.607 6.412 2.388 1.00 13.12 O ATOM 88 CB GLN A 6 11.000 8.653 4.325 1.00 22.12 C ATOM 89 CG GLN A 6 11.008 7.302 5.022 1.00 3.15 C ATOM 90 CD GLN A 6 9.614 6.747 5.237 1.00 52.45 C ATOM 91 OE1 GLN A 6 8.704 7.466 5.651 1.00 40.31 O ATOM 92 NE2 GLN A 6 9.438 5.462 4.954 1.00 20.23 N ATOM 0 H GLN A 6 8.313 8.164 3.548 1.00 34.11 H new ATOM 0 HA GLN A 6 10.697 9.417 2.339 1.00 25.42 H new ATOM 0 HB2 GLN A 6 12.029 8.979 4.171 1.00 22.12 H new ATOM 0 HB3 GLN A 6 10.528 9.387 4.978 1.00 22.12 H new ATOM 0 HG2 GLN A 6 11.589 6.595 4.429 1.00 3.15 H new ATOM 0 HG3 GLN A 6 11.509 7.398 5.985 1.00 3.15 H new ATOM 0 HE21 GLN A 6 10.220 4.903 4.613 1.00 20.23 H new ATOM 0 HE22 GLN A 6 8.521 5.034 5.077 1.00 20.23 H new ATOM 101 N LEU A 7 11.590 7.136 1.610 1.00 72.45 N ATOM 102 CA LEU A 7 11.892 5.892 0.909 1.00 4.15 C ATOM 103 C LEU A 7 13.098 5.195 1.533 1.00 15.41 C ATOM 104 O LEU A 7 14.194 5.755 1.585 1.00 14.11 O ATOM 105 CB LEU A 7 12.159 6.169 -0.571 1.00 51.11 C ATOM 106 CG LEU A 7 10.954 6.046 -1.504 1.00 40.05 C ATOM 107 CD1 LEU A 7 10.725 4.593 -1.891 1.00 52.35 C ATOM 108 CD2 LEU A 7 9.710 6.628 -0.849 1.00 61.01 C ATOM 0 H LEU A 7 12.309 7.854 1.524 1.00 72.45 H new ATOM 0 HA LEU A 7 11.028 5.234 0.999 1.00 4.15 H new ATOM 0 HB2 LEU A 7 12.564 7.177 -0.664 1.00 51.11 H new ATOM 0 HB3 LEU A 7 12.932 5.482 -0.915 1.00 51.11 H new ATOM 0 HG LEU A 7 11.162 6.614 -2.411 1.00 40.05 H new ATOM 0 HD11 LEU A 7 9.863 4.525 -2.555 1.00 52.35 H new ATOM 0 HD12 LEU A 7 11.608 4.209 -2.402 1.00 52.35 H new ATOM 0 HD13 LEU A 7 10.539 4.002 -0.994 1.00 52.35 H new ATOM 0 HD21 LEU A 7 8.863 6.532 -1.528 1.00 61.01 H new ATOM 0 HD22 LEU A 7 9.499 6.089 0.074 1.00 61.01 H new ATOM 0 HD23 LEU A 7 9.876 7.681 -0.624 1.00 61.01 H new ATOM 120 N LEU A 8 12.888 3.971 2.004 1.00 63.15 N ATOM 121 CA LEU A 8 13.958 3.196 2.622 1.00 62.40 C ATOM 122 C LEU A 8 15.190 3.155 1.724 1.00 63.33 C ATOM 123 O LEU A 8 16.225 3.741 2.044 1.00 34.44 O ATOM 124 CB LEU A 8 13.480 1.773 2.916 1.00 73.33 C ATOM 125 CG LEU A 8 14.365 0.946 3.849 1.00 13.23 C ATOM 126 CD1 LEU A 8 15.625 0.494 3.128 1.00 1.14 C ATOM 127 CD2 LEU A 8 14.718 1.745 5.095 1.00 2.32 C ATOM 0 H LEU A 8 11.987 3.494 1.970 1.00 63.15 H new ATOM 0 HA LEU A 8 14.230 3.682 3.559 1.00 62.40 H new ATOM 0 HB2 LEU A 8 12.482 1.829 3.350 1.00 73.33 H new ATOM 0 HB3 LEU A 8 13.387 1.240 1.970 1.00 73.33 H new ATOM 0 HG LEU A 8 13.809 0.060 4.155 1.00 13.23 H new ATOM 0 HD11 LEU A 8 16.242 -0.093 3.808 1.00 1.14 H new ATOM 0 HD12 LEU A 8 15.352 -0.116 2.267 1.00 1.14 H new ATOM 0 HD13 LEU A 8 16.185 1.367 2.792 1.00 1.14 H new ATOM 0 HD21 LEU A 8 15.348 1.141 5.748 1.00 2.32 H new ATOM 0 HD22 LEU A 8 15.255 2.649 4.808 1.00 2.32 H new ATOM 0 HD23 LEU A 8 13.804 2.018 5.623 1.00 2.32 H new ATOM 139 N TYR A 9 15.072 2.461 0.597 1.00 13.21 N ATOM 140 CA TYR A 9 16.176 2.344 -0.348 1.00 73.30 C ATOM 141 C TYR A 9 15.748 1.573 -1.593 1.00 34.31 C ATOM 142 O TYR A 9 16.097 0.408 -1.784 1.00 20.30 O ATOM 143 CB TYR A 9 17.368 1.648 0.312 1.00 75.24 C ATOM 144 CG TYR A 9 18.704 2.067 -0.257 1.00 3.20 C ATOM 145 CD1 TYR A 9 19.057 3.409 -0.339 1.00 74.44 C ATOM 146 CD2 TYR A 9 19.616 1.121 -0.711 1.00 14.51 C ATOM 147 CE1 TYR A 9 20.277 3.796 -0.859 1.00 15.00 C ATOM 148 CE2 TYR A 9 20.838 1.500 -1.231 1.00 24.34 C ATOM 149 CZ TYR A 9 21.164 2.838 -1.303 1.00 0.10 C ATOM 150 OH TYR A 9 22.381 3.220 -1.820 1.00 32.12 O ATOM 0 H TYR A 9 14.223 1.971 0.316 1.00 13.21 H new ATOM 0 HA TYR A 9 16.471 3.349 -0.649 1.00 73.30 H new ATOM 0 HB2 TYR A 9 17.355 1.860 1.381 1.00 75.24 H new ATOM 0 HB3 TYR A 9 17.257 0.570 0.199 1.00 75.24 H new ATOM 0 HD1 TYR A 9 18.366 4.162 0.010 1.00 74.44 H new ATOM 0 HD2 TYR A 9 19.365 0.072 -0.656 1.00 14.51 H new ATOM 0 HE1 TYR A 9 20.535 4.843 -0.917 1.00 15.00 H new ATOM 0 HE2 TYR A 9 21.535 0.752 -1.580 1.00 24.34 H new ATOM 0 HH TYR A 9 22.888 2.424 -2.086 1.00 32.12 H new ATOM 160 N PRO A 10 14.972 2.238 -2.462 1.00 1.01 N ATOM 161 CA PRO A 10 14.480 1.637 -3.705 1.00 34.53 C ATOM 162 C PRO A 10 15.594 1.411 -4.721 1.00 12.10 C ATOM 163 O PRO A 10 16.250 2.357 -5.157 1.00 53.31 O ATOM 164 CB PRO A 10 13.480 2.671 -4.228 1.00 1.23 C ATOM 165 CG PRO A 10 13.933 3.964 -3.643 1.00 15.43 C ATOM 166 CD PRO A 10 14.517 3.629 -2.298 1.00 71.14 C ATOM 0 HA PRO A 10 14.046 0.651 -3.537 1.00 34.53 H new ATOM 0 HB2 PRO A 10 13.481 2.707 -5.317 1.00 1.23 H new ATOM 0 HB3 PRO A 10 12.463 2.431 -3.918 1.00 1.23 H new ATOM 0 HG2 PRO A 10 14.675 4.443 -4.282 1.00 15.43 H new ATOM 0 HG3 PRO A 10 13.100 4.660 -3.544 1.00 15.43 H new ATOM 0 HD2 PRO A 10 15.341 4.294 -2.041 1.00 71.14 H new ATOM 0 HD3 PRO A 10 13.776 3.719 -1.504 1.00 71.14 H new ATOM 174 N ARG A 11 15.802 0.153 -5.094 1.00 62.24 N ATOM 175 CA ARG A 11 16.838 -0.196 -6.059 1.00 70.41 C ATOM 176 C ARG A 11 16.867 -1.702 -6.304 1.00 62.14 C ATOM 177 O ARG A 11 17.139 -2.154 -7.416 1.00 51.23 O ATOM 178 CB ARG A 11 18.206 0.277 -5.565 1.00 10.25 C ATOM 179 CG ARG A 11 18.462 -0.027 -4.098 1.00 30.15 C ATOM 180 CD ARG A 11 19.854 -0.599 -3.882 1.00 5.11 C ATOM 181 NE ARG A 11 19.876 -1.601 -2.820 1.00 62.42 N ATOM 182 CZ ARG A 11 20.985 -2.194 -2.392 1.00 20.23 C ATOM 183 NH1 ARG A 11 22.156 -1.886 -2.931 1.00 63.23 N ATOM 184 NH2 ARG A 11 20.924 -3.097 -1.421 1.00 54.20 N ATOM 0 H ARG A 11 15.267 -0.642 -4.743 1.00 62.24 H new ATOM 0 HA ARG A 11 16.606 0.304 -6.999 1.00 70.41 H new ATOM 0 HB2 ARG A 11 18.983 -0.195 -6.166 1.00 10.25 H new ATOM 0 HB3 ARG A 11 18.289 1.352 -5.724 1.00 10.25 H new ATOM 0 HG2 ARG A 11 18.347 0.884 -3.511 1.00 30.15 H new ATOM 0 HG3 ARG A 11 17.716 -0.735 -3.737 1.00 30.15 H new ATOM 0 HD2 ARG A 11 20.210 -1.047 -4.810 1.00 5.11 H new ATOM 0 HD3 ARG A 11 20.543 0.208 -3.633 1.00 5.11 H new ATOM 0 HE ARG A 11 18.991 -1.860 -2.383 1.00 62.42 H new ATOM 0 HH11 ARG A 11 22.207 -1.192 -3.677 1.00 63.23 H new ATOM 0 HH12 ARG A 11 23.006 -2.343 -2.600 1.00 63.23 H new ATOM 0 HH21 ARG A 11 20.025 -3.336 -1.003 1.00 54.20 H new ATOM 0 HH22 ARG A 11 21.776 -3.552 -1.093 1.00 54.20 H new ATOM 198 N GLU A 12 16.586 -2.473 -5.258 1.00 51.42 N ATOM 199 CA GLU A 12 16.582 -3.927 -5.361 1.00 34.22 C ATOM 200 C GLU A 12 15.688 -4.389 -6.508 1.00 61.04 C ATOM 201 O GLU A 12 15.919 -5.441 -7.103 1.00 45.15 O ATOM 202 CB GLU A 12 16.107 -4.552 -4.047 1.00 41.11 C ATOM 203 CG GLU A 12 16.988 -5.691 -3.562 1.00 35.30 C ATOM 204 CD GLU A 12 16.799 -5.987 -2.087 1.00 1.33 C ATOM 205 OE1 GLU A 12 15.646 -6.232 -1.674 1.00 1.21 O ATOM 206 OE2 GLU A 12 17.804 -5.973 -1.345 1.00 54.41 O ATOM 0 H GLU A 12 16.358 -2.115 -4.330 1.00 51.42 H new ATOM 0 HA GLU A 12 17.602 -4.254 -5.564 1.00 34.22 H new ATOM 0 HB2 GLU A 12 16.071 -3.779 -3.279 1.00 41.11 H new ATOM 0 HB3 GLU A 12 15.089 -4.921 -4.177 1.00 41.11 H new ATOM 0 HG2 GLU A 12 16.767 -6.588 -4.140 1.00 35.30 H new ATOM 0 HG3 GLU A 12 18.033 -5.442 -3.748 1.00 35.30 H new ATOM 213 N GLU A 13 14.666 -3.594 -6.812 1.00 24.41 N ATOM 214 CA GLU A 13 13.737 -3.923 -7.887 1.00 4.42 C ATOM 215 C GLU A 13 14.280 -3.458 -9.235 1.00 55.24 C ATOM 216 O GLU A 13 14.091 -4.122 -10.254 1.00 41.11 O ATOM 217 CB GLU A 13 12.373 -3.282 -7.625 1.00 12.30 C ATOM 218 CG GLU A 13 12.439 -1.781 -7.395 1.00 62.23 C ATOM 219 CD GLU A 13 11.791 -0.990 -8.515 1.00 62.31 C ATOM 220 OE1 GLU A 13 10.766 -1.458 -9.055 1.00 3.24 O ATOM 221 OE2 GLU A 13 12.308 0.095 -8.852 1.00 44.01 O ATOM 0 H GLU A 13 14.461 -2.719 -6.330 1.00 24.41 H new ATOM 0 HA GLU A 13 13.622 -5.006 -7.915 1.00 4.42 H new ATOM 0 HB2 GLU A 13 11.718 -3.483 -8.473 1.00 12.30 H new ATOM 0 HB3 GLU A 13 11.920 -3.755 -6.754 1.00 12.30 H new ATOM 0 HG2 GLU A 13 11.947 -1.540 -6.453 1.00 62.23 H new ATOM 0 HG3 GLU A 13 13.481 -1.478 -7.297 1.00 62.23 H new ATOM 228 N MET A 14 14.953 -2.312 -9.233 1.00 20.14 N ATOM 229 CA MET A 14 15.523 -1.758 -10.455 1.00 62.23 C ATOM 230 C MET A 14 16.345 -2.808 -11.196 1.00 60.31 C ATOM 231 O MET A 14 16.221 -2.965 -12.411 1.00 15.02 O ATOM 232 CB MET A 14 16.397 -0.545 -10.132 1.00 11.21 C ATOM 233 CG MET A 14 15.723 0.785 -10.426 1.00 54.42 C ATOM 234 SD MET A 14 15.040 1.560 -8.948 1.00 41.21 S ATOM 235 CE MET A 14 16.314 2.764 -8.578 1.00 31.43 C ATOM 0 H MET A 14 15.117 -1.749 -8.398 1.00 20.14 H new ATOM 0 HA MET A 14 14.702 -1.444 -11.099 1.00 62.23 H new ATOM 0 HB2 MET A 14 16.674 -0.577 -9.078 1.00 11.21 H new ATOM 0 HB3 MET A 14 17.321 -0.610 -10.707 1.00 11.21 H new ATOM 0 HG2 MET A 14 16.445 1.460 -10.885 1.00 54.42 H new ATOM 0 HG3 MET A 14 14.925 0.631 -11.152 1.00 54.42 H new ATOM 0 HE1 MET A 14 16.832 2.476 -7.663 1.00 31.43 H new ATOM 0 HE2 MET A 14 17.027 2.804 -9.401 1.00 31.43 H new ATOM 0 HE3 MET A 14 15.859 3.746 -8.444 1.00 31.43 H new ATOM 245 N VAL A 15 17.186 -3.525 -10.457 1.00 35.32 N ATOM 246 CA VAL A 15 18.027 -4.561 -11.044 1.00 23.12 C ATOM 247 C VAL A 15 17.185 -5.698 -11.611 1.00 33.12 C ATOM 248 O VAL A 15 17.577 -6.354 -12.576 1.00 2.31 O ATOM 249 CB VAL A 15 19.015 -5.135 -10.010 1.00 53.51 C ATOM 250 CG1 VAL A 15 20.044 -4.086 -9.616 1.00 31.32 C ATOM 251 CG2 VAL A 15 18.268 -5.647 -8.788 1.00 11.43 C ATOM 0 H VAL A 15 17.303 -3.407 -9.451 1.00 35.32 H new ATOM 0 HA VAL A 15 18.589 -4.092 -11.852 1.00 23.12 H new ATOM 0 HB VAL A 15 19.543 -5.974 -10.463 1.00 53.51 H new ATOM 0 HG11 VAL A 15 20.733 -4.509 -8.885 1.00 31.32 H new ATOM 0 HG12 VAL A 15 20.600 -3.772 -10.499 1.00 31.32 H new ATOM 0 HG13 VAL A 15 19.537 -3.225 -9.181 1.00 31.32 H new ATOM 0 HG21 VAL A 15 18.981 -6.049 -8.068 1.00 11.43 H new ATOM 0 HG22 VAL A 15 17.713 -4.828 -8.331 1.00 11.43 H new ATOM 0 HG23 VAL A 15 17.574 -6.432 -9.088 1.00 11.43 H new ATOM 261 N SER A 16 16.024 -5.926 -11.005 1.00 31.21 N ATOM 262 CA SER A 16 15.126 -6.987 -11.447 1.00 42.22 C ATOM 263 C SER A 16 14.737 -6.795 -12.910 1.00 4.41 C ATOM 264 O SER A 16 14.832 -7.721 -13.717 1.00 10.34 O ATOM 265 CB SER A 16 13.870 -7.018 -10.574 1.00 24.31 C ATOM 266 OG SER A 16 13.496 -8.350 -10.267 1.00 73.13 O ATOM 0 H SER A 16 15.683 -5.390 -10.207 1.00 31.21 H new ATOM 0 HA SER A 16 15.651 -7.937 -11.350 1.00 42.22 H new ATOM 0 HB2 SER A 16 14.050 -6.466 -9.652 1.00 24.31 H new ATOM 0 HB3 SER A 16 13.051 -6.517 -11.091 1.00 24.31 H new ATOM 0 HG SER A 16 12.692 -8.343 -9.707 1.00 73.13 H new ATOM 272 N LEU A 17 14.300 -5.586 -13.245 1.00 53.01 N ATOM 273 CA LEU A 17 13.896 -5.270 -14.611 1.00 10.01 C ATOM 274 C LEU A 17 15.039 -5.521 -15.589 1.00 23.53 C ATOM 275 O LEU A 17 14.953 -6.397 -16.449 1.00 72.44 O ATOM 276 CB LEU A 17 13.441 -3.813 -14.705 1.00 14.32 C ATOM 277 CG LEU A 17 12.304 -3.403 -13.768 1.00 74.01 C ATOM 278 CD1 LEU A 17 11.419 -4.598 -13.448 1.00 22.04 C ATOM 279 CD2 LEU A 17 12.859 -2.791 -12.491 1.00 4.34 C ATOM 0 H LEU A 17 14.216 -4.809 -12.590 1.00 53.01 H new ATOM 0 HA LEU A 17 13.064 -5.922 -14.877 1.00 10.01 H new ATOM 0 HB2 LEU A 17 14.299 -3.172 -14.505 1.00 14.32 H new ATOM 0 HB3 LEU A 17 13.129 -3.616 -15.731 1.00 14.32 H new ATOM 0 HG LEU A 17 11.697 -2.652 -14.272 1.00 74.01 H new ATOM 0 HD11 LEU A 17 10.616 -4.287 -12.780 1.00 22.04 H new ATOM 0 HD12 LEU A 17 10.992 -4.992 -14.370 1.00 22.04 H new ATOM 0 HD13 LEU A 17 12.014 -5.372 -12.964 1.00 22.04 H new ATOM 0 HD21 LEU A 17 12.035 -2.505 -11.837 1.00 4.34 H new ATOM 0 HD22 LEU A 17 13.490 -3.520 -11.983 1.00 4.34 H new ATOM 0 HD23 LEU A 17 13.450 -1.909 -12.737 1.00 4.34 H new ATOM 291 N VAL A 18 16.112 -4.748 -15.449 1.00 34.51 N ATOM 292 CA VAL A 18 17.274 -4.889 -16.317 1.00 62.45 C ATOM 293 C VAL A 18 17.729 -6.342 -16.395 1.00 61.43 C ATOM 294 O VAL A 18 18.237 -6.790 -17.423 1.00 70.25 O ATOM 295 CB VAL A 18 18.448 -4.021 -15.829 1.00 5.32 C ATOM 296 CG1 VAL A 18 18.951 -4.512 -14.480 1.00 64.21 C ATOM 297 CG2 VAL A 18 19.571 -4.016 -16.856 1.00 15.10 C ATOM 0 H VAL A 18 16.200 -4.018 -14.742 1.00 34.51 H new ATOM 0 HA VAL A 18 16.971 -4.552 -17.308 1.00 62.45 H new ATOM 0 HB VAL A 18 18.093 -2.997 -15.707 1.00 5.32 H new ATOM 0 HG11 VAL A 18 19.781 -3.886 -14.151 1.00 64.21 H new ATOM 0 HG12 VAL A 18 18.144 -4.458 -13.749 1.00 64.21 H new ATOM 0 HG13 VAL A 18 19.289 -5.544 -14.571 1.00 64.21 H new ATOM 0 HG21 VAL A 18 20.392 -3.397 -16.494 1.00 15.10 H new ATOM 0 HG22 VAL A 18 19.926 -5.035 -17.012 1.00 15.10 H new ATOM 0 HG23 VAL A 18 19.201 -3.612 -17.798 1.00 15.10 H new ATOM 307 N ARG A 19 17.543 -7.074 -15.302 1.00 30.33 N ATOM 308 CA ARG A 19 17.935 -8.477 -15.246 1.00 30.53 C ATOM 309 C ARG A 19 17.009 -9.335 -16.104 1.00 24.24 C ATOM 310 O ARG A 19 17.453 -10.271 -16.769 1.00 4.03 O ATOM 311 CB ARG A 19 17.916 -8.977 -13.800 1.00 0.11 C ATOM 312 CG ARG A 19 19.207 -8.705 -13.045 1.00 13.14 C ATOM 313 CD ARG A 19 20.213 -9.829 -13.238 1.00 14.13 C ATOM 314 NE ARG A 19 19.898 -10.993 -12.413 1.00 51.34 N ATOM 315 CZ ARG A 19 20.559 -12.143 -12.483 1.00 54.01 C ATOM 316 NH1 ARG A 19 21.565 -12.282 -13.334 1.00 64.45 N ATOM 317 NH2 ARG A 19 20.213 -13.157 -11.700 1.00 12.42 N ATOM 0 H ARG A 19 17.123 -6.719 -14.443 1.00 30.33 H new ATOM 0 HA ARG A 19 18.948 -8.561 -15.639 1.00 30.53 H new ATOM 0 HB2 ARG A 19 17.089 -8.503 -13.271 1.00 0.11 H new ATOM 0 HB3 ARG A 19 17.723 -10.050 -13.798 1.00 0.11 H new ATOM 0 HG2 ARG A 19 19.639 -7.765 -13.388 1.00 13.14 H new ATOM 0 HG3 ARG A 19 18.991 -8.587 -11.983 1.00 13.14 H new ATOM 0 HD2 ARG A 19 20.231 -10.123 -14.288 1.00 14.13 H new ATOM 0 HD3 ARG A 19 21.211 -9.469 -12.990 1.00 14.13 H new ATOM 0 HE ARG A 19 19.129 -10.918 -11.747 1.00 51.34 H new ATOM 0 HH11 ARG A 19 21.834 -11.505 -13.937 1.00 64.45 H new ATOM 0 HH12 ARG A 19 22.071 -13.166 -13.386 1.00 64.45 H new ATOM 0 HH21 ARG A 19 19.439 -13.054 -11.044 1.00 12.42 H new ATOM 0 HH22 ARG A 19 20.721 -14.040 -11.754 1.00 12.42 H new ATOM 331 N SER A 20 15.721 -9.009 -16.083 1.00 31.54 N ATOM 332 CA SER A 20 14.732 -9.752 -16.855 1.00 30.52 C ATOM 333 C SER A 20 15.049 -9.692 -18.346 1.00 4.42 C ATOM 334 O SER A 20 14.745 -10.620 -19.096 1.00 21.11 O ATOM 335 CB SER A 20 13.330 -9.197 -16.597 1.00 41.42 C ATOM 336 OG SER A 20 12.985 -8.217 -17.561 1.00 1.41 O ATOM 0 H SER A 20 15.338 -8.235 -15.540 1.00 31.54 H new ATOM 0 HA SER A 20 14.767 -10.794 -16.536 1.00 30.52 H new ATOM 0 HB2 SER A 20 12.603 -10.009 -16.623 1.00 41.42 H new ATOM 0 HB3 SER A 20 13.286 -8.761 -15.599 1.00 41.42 H new ATOM 0 HG SER A 20 13.533 -7.416 -17.424 1.00 1.41 H new ATOM 342 N LEU A 21 15.663 -8.592 -18.769 1.00 21.00 N ATOM 343 CA LEU A 21 16.023 -8.408 -20.171 1.00 10.03 C ATOM 344 C LEU A 21 17.520 -8.610 -20.379 1.00 44.15 C ATOM 345 O LEU A 21 18.304 -8.544 -19.432 1.00 72.00 O ATOM 346 CB LEU A 21 15.614 -7.012 -20.644 1.00 2.25 C ATOM 347 CG LEU A 21 16.428 -5.847 -20.079 1.00 41.00 C ATOM 348 CD1 LEU A 21 17.188 -5.139 -21.190 1.00 0.11 C ATOM 349 CD2 LEU A 21 15.522 -4.870 -19.344 1.00 22.24 C ATOM 0 H LEU A 21 15.922 -7.815 -18.162 1.00 21.00 H new ATOM 0 HA LEU A 21 15.489 -9.155 -20.759 1.00 10.03 H new ATOM 0 HB2 LEU A 21 15.683 -6.984 -21.731 1.00 2.25 H new ATOM 0 HB3 LEU A 21 14.566 -6.856 -20.387 1.00 2.25 H new ATOM 0 HG LEU A 21 17.152 -6.246 -19.368 1.00 41.00 H new ATOM 0 HD11 LEU A 21 17.761 -4.313 -20.769 1.00 0.11 H new ATOM 0 HD12 LEU A 21 17.866 -5.843 -21.673 1.00 0.11 H new ATOM 0 HD13 LEU A 21 16.482 -4.753 -21.925 1.00 0.11 H new ATOM 0 HD21 LEU A 21 16.118 -4.048 -18.949 1.00 22.24 H new ATOM 0 HD22 LEU A 21 14.775 -4.478 -20.034 1.00 22.24 H new ATOM 0 HD23 LEU A 21 15.023 -5.384 -18.522 1.00 22.24 H new ATOM 361 N ASP A 22 17.911 -8.854 -21.626 1.00 0.35 N ATOM 362 CA ASP A 22 19.315 -9.062 -21.960 1.00 2.23 C ATOM 363 C ASP A 22 19.486 -9.320 -23.454 1.00 12.44 C ATOM 364 O ASP A 22 20.099 -10.308 -23.857 1.00 3.22 O ATOM 365 CB ASP A 22 19.884 -10.234 -21.159 1.00 32.30 C ATOM 366 CG ASP A 22 21.313 -9.993 -20.714 1.00 51.32 C ATOM 367 OD1 ASP A 22 22.014 -9.198 -21.375 1.00 40.20 O ATOM 368 OD2 ASP A 22 21.730 -10.598 -19.705 1.00 11.22 O ATOM 0 H ASP A 22 17.275 -8.912 -22.421 1.00 0.35 H new ATOM 0 HA ASP A 22 19.862 -8.156 -21.701 1.00 2.23 H new ATOM 0 HB2 ASP A 22 19.259 -10.409 -20.283 1.00 32.30 H new ATOM 0 HB3 ASP A 22 19.843 -11.139 -21.766 1.00 32.30 H new ATOM 373 N ARG A 23 18.938 -8.425 -24.270 1.00 1.04 N ATOM 374 CA ARG A 23 19.028 -8.557 -25.719 1.00 33.02 C ATOM 375 C ARG A 23 19.647 -7.309 -26.341 1.00 63.21 C ATOM 376 O ARG A 23 18.995 -6.558 -27.066 1.00 12.53 O ATOM 377 CB ARG A 23 17.641 -8.803 -26.316 1.00 62.35 C ATOM 378 CG ARG A 23 16.558 -7.914 -25.729 1.00 32.04 C ATOM 379 CD ARG A 23 15.536 -8.724 -24.946 1.00 71.02 C ATOM 380 NE ARG A 23 16.171 -9.682 -24.044 1.00 52.55 N ATOM 381 CZ ARG A 23 15.494 -10.499 -23.246 1.00 31.21 C ATOM 382 NH1 ARG A 23 14.168 -10.476 -23.238 1.00 23.23 N ATOM 383 NH2 ARG A 23 16.143 -11.343 -22.454 1.00 2.23 N ATOM 0 H ARG A 23 18.427 -7.601 -23.952 1.00 1.04 H new ATOM 0 HA ARG A 23 19.669 -9.410 -25.943 1.00 33.02 H new ATOM 0 HB2 ARG A 23 17.685 -8.644 -27.393 1.00 62.35 H new ATOM 0 HB3 ARG A 23 17.367 -9.846 -26.159 1.00 62.35 H new ATOM 0 HG2 ARG A 23 17.012 -7.169 -25.075 1.00 32.04 H new ATOM 0 HG3 ARG A 23 16.057 -7.371 -26.531 1.00 32.04 H new ATOM 0 HD2 ARG A 23 14.903 -8.049 -24.370 1.00 71.02 H new ATOM 0 HD3 ARG A 23 14.886 -9.256 -25.641 1.00 71.02 H new ATOM 0 HE ARG A 23 17.190 -9.726 -24.026 1.00 52.55 H new ATOM 0 HH11 ARG A 23 13.665 -9.829 -23.846 1.00 23.23 H new ATOM 0 HH12 ARG A 23 13.651 -11.105 -22.624 1.00 23.23 H new ATOM 0 HH21 ARG A 23 17.163 -11.364 -22.458 1.00 2.23 H new ATOM 0 HH22 ARG A 23 15.622 -11.970 -21.841 1.00 2.23 H new ATOM 397 N PRO A 24 20.937 -7.082 -26.052 1.00 43.15 N ATOM 398 CA PRO A 24 21.673 -5.926 -26.573 1.00 63.15 C ATOM 399 C PRO A 24 21.925 -6.028 -28.074 1.00 4.21 C ATOM 400 O PRO A 24 22.950 -6.555 -28.505 1.00 64.12 O ATOM 401 CB PRO A 24 22.996 -5.972 -25.805 1.00 1.04 C ATOM 402 CG PRO A 24 23.164 -7.403 -25.425 1.00 1.32 C ATOM 403 CD PRO A 24 21.777 -7.936 -25.196 1.00 11.13 C ATOM 0 HA PRO A 24 21.119 -4.997 -26.440 1.00 63.15 H new ATOM 0 HB2 PRO A 24 23.825 -5.627 -26.423 1.00 1.04 H new ATOM 0 HB3 PRO A 24 22.965 -5.330 -24.925 1.00 1.04 H new ATOM 0 HG2 PRO A 24 23.671 -7.959 -26.214 1.00 1.32 H new ATOM 0 HG3 PRO A 24 23.772 -7.499 -24.526 1.00 1.32 H new ATOM 0 HD2 PRO A 24 21.699 -8.986 -25.476 1.00 11.13 H new ATOM 0 HD3 PRO A 24 21.487 -7.863 -24.148 1.00 11.13 H new ATOM 411 N GLN A 25 20.985 -5.520 -28.863 1.00 54.42 N ATOM 412 CA GLN A 25 21.106 -5.554 -30.316 1.00 22.21 C ATOM 413 C GLN A 25 21.988 -4.415 -30.816 1.00 5.14 C ATOM 414 O GLN A 25 22.924 -4.634 -31.585 1.00 14.23 O ATOM 415 CB GLN A 25 19.724 -5.468 -30.967 1.00 25.14 C ATOM 416 CG GLN A 25 19.003 -6.804 -31.041 1.00 12.00 C ATOM 417 CD GLN A 25 18.801 -7.279 -32.466 1.00 73.52 C ATOM 418 OE1 GLN A 25 17.671 -7.490 -32.908 1.00 71.51 O ATOM 419 NE2 GLN A 25 19.898 -7.451 -33.195 1.00 14.24 N ATOM 0 H GLN A 25 20.131 -5.080 -28.521 1.00 54.42 H new ATOM 0 HA GLN A 25 21.572 -6.499 -30.594 1.00 22.21 H new ATOM 0 HB2 GLN A 25 19.110 -4.764 -30.406 1.00 25.14 H new ATOM 0 HB3 GLN A 25 19.830 -5.066 -31.974 1.00 25.14 H new ATOM 0 HG2 GLN A 25 19.574 -7.552 -30.490 1.00 12.00 H new ATOM 0 HG3 GLN A 25 18.034 -6.717 -30.550 1.00 12.00 H new ATOM 0 HE21 GLN A 25 20.815 -7.264 -32.789 1.00 14.24 H new ATOM 0 HE22 GLN A 25 19.824 -7.770 -34.161 1.00 14.24 H new ATOM 428 N GLU A 26 21.684 -3.199 -30.373 1.00 54.11 N ATOM 429 CA GLU A 26 22.449 -2.026 -30.777 1.00 41.54 C ATOM 430 C GLU A 26 23.773 -1.953 -30.022 1.00 61.02 C ATOM 431 O GLU A 26 24.832 -1.769 -30.621 1.00 12.21 O ATOM 432 CB GLU A 26 21.639 -0.751 -30.532 1.00 32.03 C ATOM 433 CG GLU A 26 21.128 -0.100 -31.806 1.00 11.42 C ATOM 434 CD GLU A 26 22.035 1.011 -32.297 1.00 44.44 C ATOM 435 OE1 GLU A 26 21.915 2.145 -31.789 1.00 2.33 O ATOM 436 OE2 GLU A 26 22.866 0.746 -33.191 1.00 63.13 O ATOM 0 H GLU A 26 20.914 -3.001 -29.735 1.00 54.11 H new ATOM 0 HA GLU A 26 22.662 -2.113 -31.842 1.00 41.54 H new ATOM 0 HB2 GLU A 26 20.791 -0.987 -29.889 1.00 32.03 H new ATOM 0 HB3 GLU A 26 22.259 -0.035 -29.992 1.00 32.03 H new ATOM 0 HG2 GLU A 26 21.034 -0.857 -32.584 1.00 11.42 H new ATOM 0 HG3 GLU A 26 20.130 0.302 -31.629 1.00 11.42 H new ATOM 443 N ASN A 27 23.704 -2.099 -28.703 1.00 12.11 N ATOM 444 CA ASN A 27 24.896 -2.049 -27.865 1.00 3.03 C ATOM 445 C ASN A 27 25.709 -0.790 -28.150 1.00 43.10 C ATOM 446 O ASN A 27 26.868 -0.865 -28.556 1.00 22.32 O ATOM 447 CB ASN A 27 25.760 -3.291 -28.096 1.00 10.50 C ATOM 448 CG ASN A 27 26.687 -3.576 -26.930 1.00 14.41 C ATOM 449 OD1 ASN A 27 27.878 -3.268 -26.979 1.00 74.05 O ATOM 450 ND2 ASN A 27 26.142 -4.167 -25.873 1.00 3.23 N ATOM 0 H ASN A 27 22.835 -2.253 -28.191 1.00 12.11 H new ATOM 0 HA ASN A 27 24.576 -2.026 -26.823 1.00 3.03 H new ATOM 0 HB2 ASN A 27 25.114 -4.153 -28.262 1.00 10.50 H new ATOM 0 HB3 ASN A 27 26.351 -3.156 -29.002 1.00 10.50 H new ATOM 0 HD21 ASN A 27 26.715 -4.384 -25.058 1.00 3.23 H new ATOM 0 HD22 ASN A 27 25.150 -4.404 -25.876 1.00 3.23 H new ATOM 457 N GLY A 28 25.093 0.368 -27.934 1.00 15.11 N ATOM 458 CA GLY A 28 25.774 1.627 -28.172 1.00 54.24 C ATOM 459 C GLY A 28 25.050 2.805 -27.550 1.00 22.34 C ATOM 460 O GLY A 28 25.681 3.736 -27.048 1.00 23.02 O ATOM 0 H GLY A 28 24.134 0.457 -27.598 1.00 15.11 H new ATOM 0 HA2 GLY A 28 26.785 1.572 -27.768 1.00 54.24 H new ATOM 0 HA3 GLY A 28 25.868 1.788 -29.246 1.00 54.24 H new ATOM 464 N LEU A 29 23.723 2.766 -27.582 1.00 72.13 N ATOM 465 CA LEU A 29 22.912 3.839 -27.018 1.00 11.22 C ATOM 466 C LEU A 29 21.442 3.437 -26.957 1.00 71.21 C ATOM 467 O LEU A 29 20.736 3.767 -26.004 1.00 53.43 O ATOM 468 CB LEU A 29 23.069 5.115 -27.848 1.00 24.53 C ATOM 469 CG LEU A 29 22.692 6.421 -27.149 1.00 13.12 C ATOM 470 CD1 LEU A 29 23.458 7.589 -27.750 1.00 20.00 C ATOM 471 CD2 LEU A 29 21.192 6.661 -27.241 1.00 72.10 C ATOM 0 H LEU A 29 23.185 2.003 -27.993 1.00 72.13 H new ATOM 0 HA LEU A 29 23.260 4.028 -26.003 1.00 11.22 H new ATOM 0 HB2 LEU A 29 24.107 5.187 -28.174 1.00 24.53 H new ATOM 0 HB3 LEU A 29 22.459 5.018 -28.746 1.00 24.53 H new ATOM 0 HG LEU A 29 22.963 6.339 -26.096 1.00 13.12 H new ATOM 0 HD11 LEU A 29 23.176 8.510 -27.240 1.00 20.00 H new ATOM 0 HD12 LEU A 29 24.529 7.421 -27.632 1.00 20.00 H new ATOM 0 HD13 LEU A 29 23.219 7.674 -28.810 1.00 20.00 H new ATOM 0 HD21 LEU A 29 20.941 7.595 -26.738 1.00 72.10 H new ATOM 0 HD22 LEU A 29 20.897 6.722 -28.289 1.00 72.10 H new ATOM 0 HD23 LEU A 29 20.662 5.838 -26.762 1.00 72.10 H new ATOM 483 N PHE A 30 20.987 2.719 -27.979 1.00 45.32 N ATOM 484 CA PHE A 30 19.602 2.270 -28.042 1.00 15.12 C ATOM 485 C PHE A 30 19.319 1.227 -26.964 1.00 54.33 C ATOM 486 O PHE A 30 18.165 0.888 -26.702 1.00 20.25 O ATOM 487 CB PHE A 30 19.293 1.689 -29.423 1.00 64.02 C ATOM 488 CG PHE A 30 18.620 2.663 -30.347 1.00 12.32 C ATOM 489 CD1 PHE A 30 19.298 3.777 -30.814 1.00 51.51 C ATOM 490 CD2 PHE A 30 17.308 2.465 -30.747 1.00 41.21 C ATOM 491 CE1 PHE A 30 18.681 4.676 -31.664 1.00 61.14 C ATOM 492 CE2 PHE A 30 16.686 3.360 -31.597 1.00 64.15 C ATOM 493 CZ PHE A 30 17.373 4.467 -32.056 1.00 2.23 C ATOM 0 H PHE A 30 21.558 2.436 -28.775 1.00 45.32 H new ATOM 0 HA PHE A 30 18.959 3.132 -27.867 1.00 15.12 H new ATOM 0 HB2 PHE A 30 20.222 1.349 -29.881 1.00 64.02 H new ATOM 0 HB3 PHE A 30 18.656 0.813 -29.305 1.00 64.02 H new ATOM 0 HD1 PHE A 30 20.321 3.945 -30.511 1.00 51.51 H new ATOM 0 HD2 PHE A 30 16.766 1.602 -30.391 1.00 41.21 H new ATOM 0 HE1 PHE A 30 19.221 5.541 -32.021 1.00 61.14 H new ATOM 0 HE2 PHE A 30 15.663 3.194 -31.902 1.00 64.15 H new ATOM 0 HZ PHE A 30 16.889 5.168 -32.720 1.00 2.23 H new ATOM 503 N SER A 31 20.381 0.723 -26.344 1.00 74.33 N ATOM 504 CA SER A 31 20.248 -0.285 -25.298 1.00 50.33 C ATOM 505 C SER A 31 21.411 -0.202 -24.314 1.00 14.01 C ATOM 506 O SER A 31 21.760 -1.188 -23.666 1.00 71.32 O ATOM 507 CB SER A 31 20.185 -1.684 -25.914 1.00 15.03 C ATOM 508 OG SER A 31 19.553 -1.655 -27.182 1.00 65.12 O ATOM 0 H SER A 31 21.343 0.996 -26.547 1.00 74.33 H new ATOM 0 HA SER A 31 19.322 -0.092 -24.757 1.00 50.33 H new ATOM 0 HB2 SER A 31 21.193 -2.086 -26.016 1.00 15.03 H new ATOM 0 HB3 SER A 31 19.641 -2.354 -25.248 1.00 15.03 H new ATOM 0 HG SER A 31 19.527 -2.561 -27.555 1.00 65.12 H new ATOM 514 N GLN A 32 22.005 0.982 -24.208 1.00 50.11 N ATOM 515 CA GLN A 32 23.129 1.194 -23.304 1.00 12.15 C ATOM 516 C GLN A 32 23.273 2.671 -22.951 1.00 34.23 C ATOM 517 O GLN A 32 22.501 3.509 -23.418 1.00 62.21 O ATOM 518 CB GLN A 32 24.423 0.680 -23.936 1.00 5.14 C ATOM 519 CG GLN A 32 25.124 -0.385 -23.108 1.00 34.25 C ATOM 520 CD GLN A 32 25.288 -1.692 -23.857 1.00 64.53 C ATOM 521 OE1 GLN A 32 26.385 -2.248 -23.926 1.00 42.01 O ATOM 522 NE2 GLN A 32 24.196 -2.192 -24.424 1.00 44.34 N ATOM 0 H GLN A 32 21.727 1.809 -24.737 1.00 50.11 H new ATOM 0 HA GLN A 32 22.935 0.638 -22.387 1.00 12.15 H new ATOM 0 HB2 GLN A 32 24.199 0.273 -24.922 1.00 5.14 H new ATOM 0 HB3 GLN A 32 25.103 1.519 -24.085 1.00 5.14 H new ATOM 0 HG2 GLN A 32 26.105 -0.018 -22.806 1.00 34.25 H new ATOM 0 HG3 GLN A 32 24.556 -0.563 -22.195 1.00 34.25 H new ATOM 0 HE21 GLN A 32 23.307 -1.698 -24.342 1.00 44.34 H new ATOM 0 HE22 GLN A 32 24.246 -3.070 -24.941 1.00 44.34 H new ATOM 531 N ASP A 33 24.264 2.982 -22.123 1.00 42.44 N ATOM 532 CA ASP A 33 24.510 4.359 -21.708 1.00 73.42 C ATOM 533 C ASP A 33 25.674 4.962 -22.488 1.00 31.12 C ATOM 534 O ASP A 33 26.810 4.499 -22.384 1.00 41.52 O ATOM 535 CB ASP A 33 24.800 4.417 -20.208 1.00 12.04 C ATOM 536 CG ASP A 33 23.542 4.296 -19.370 1.00 22.53 C ATOM 537 OD1 ASP A 33 22.593 5.072 -19.607 1.00 60.15 O ATOM 538 OD2 ASP A 33 23.507 3.424 -18.477 1.00 33.52 O ATOM 0 H ASP A 33 24.910 2.300 -21.726 1.00 42.44 H new ATOM 0 HA ASP A 33 23.614 4.942 -21.920 1.00 73.42 H new ATOM 0 HB2 ASP A 33 25.488 3.615 -19.943 1.00 12.04 H new ATOM 0 HB3 ASP A 33 25.300 5.357 -19.974 1.00 12.04 H new ATOM 543 N VAL A 34 25.383 5.997 -23.270 1.00 31.05 N ATOM 544 CA VAL A 34 26.405 6.664 -24.067 1.00 22.10 C ATOM 545 C VAL A 34 27.549 7.160 -23.190 1.00 65.11 C ATOM 546 O VAL A 34 28.661 7.386 -23.670 1.00 62.21 O ATOM 547 CB VAL A 34 25.819 7.854 -24.849 1.00 10.41 C ATOM 548 CG1 VAL A 34 25.151 8.839 -23.901 1.00 40.02 C ATOM 549 CG2 VAL A 34 26.903 8.540 -25.666 1.00 43.32 C ATOM 0 H VAL A 34 24.448 6.392 -23.368 1.00 31.05 H new ATOM 0 HA VAL A 34 26.786 5.927 -24.774 1.00 22.10 H new ATOM 0 HB VAL A 34 25.062 7.477 -25.536 1.00 10.41 H new ATOM 0 HG11 VAL A 34 24.743 9.673 -24.471 1.00 40.02 H new ATOM 0 HG12 VAL A 34 24.346 8.338 -23.364 1.00 40.02 H new ATOM 0 HG13 VAL A 34 25.885 9.212 -23.187 1.00 40.02 H new ATOM 0 HG21 VAL A 34 26.471 9.379 -26.212 1.00 43.32 H new ATOM 0 HG22 VAL A 34 27.685 8.905 -25.000 1.00 43.32 H new ATOM 0 HG23 VAL A 34 27.331 7.829 -26.372 1.00 43.32 H new ATOM 559 N LEU A 35 27.271 7.327 -21.902 1.00 53.01 N ATOM 560 CA LEU A 35 28.277 7.796 -20.956 1.00 43.11 C ATOM 561 C LEU A 35 29.397 6.772 -20.800 1.00 33.14 C ATOM 562 O LEU A 35 30.515 7.113 -20.411 1.00 71.25 O ATOM 563 CB LEU A 35 27.635 8.079 -19.597 1.00 24.24 C ATOM 564 CG LEU A 35 28.559 8.663 -18.527 1.00 13.10 C ATOM 565 CD1 LEU A 35 29.339 7.557 -17.834 1.00 2.35 C ATOM 566 CD2 LEU A 35 29.506 9.684 -19.140 1.00 65.41 C ATOM 0 H LEU A 35 26.357 7.144 -21.489 1.00 53.01 H new ATOM 0 HA LEU A 35 28.706 8.719 -21.347 1.00 43.11 H new ATOM 0 HB2 LEU A 35 26.804 8.768 -19.747 1.00 24.24 H new ATOM 0 HB3 LEU A 35 27.213 7.149 -19.216 1.00 24.24 H new ATOM 0 HG LEU A 35 27.946 9.169 -17.781 1.00 13.10 H new ATOM 0 HD11 LEU A 35 29.991 7.991 -17.076 1.00 2.35 H new ATOM 0 HD12 LEU A 35 28.644 6.863 -17.361 1.00 2.35 H new ATOM 0 HD13 LEU A 35 29.942 7.022 -18.568 1.00 2.35 H new ATOM 0 HD21 LEU A 35 30.156 10.089 -18.364 1.00 65.41 H new ATOM 0 HD22 LEU A 35 30.113 9.203 -19.907 1.00 65.41 H new ATOM 0 HD23 LEU A 35 28.929 10.493 -19.588 1.00 65.41 H new ATOM 578 N LEU A 36 29.090 5.516 -21.106 1.00 15.33 N ATOM 579 CA LEU A 36 30.070 4.441 -21.002 1.00 4.55 C ATOM 580 C LEU A 36 30.772 4.213 -22.337 1.00 32.04 C ATOM 581 O LEU A 36 31.285 3.126 -22.600 1.00 60.02 O ATOM 582 CB LEU A 36 29.393 3.150 -20.540 1.00 65.54 C ATOM 583 CG LEU A 36 29.022 3.078 -19.059 1.00 0.32 C ATOM 584 CD1 LEU A 36 30.229 3.395 -18.190 1.00 3.30 C ATOM 585 CD2 LEU A 36 27.876 4.030 -18.750 1.00 54.20 C ATOM 0 H LEU A 36 28.170 5.217 -21.428 1.00 15.33 H new ATOM 0 HA LEU A 36 30.818 4.734 -20.266 1.00 4.55 H new ATOM 0 HB2 LEU A 36 28.486 3.009 -21.128 1.00 65.54 H new ATOM 0 HB3 LEU A 36 30.055 2.315 -20.769 1.00 65.54 H new ATOM 0 HG LEU A 36 28.696 2.062 -18.835 1.00 0.32 H new ATOM 0 HD11 LEU A 36 29.945 3.339 -17.139 1.00 3.30 H new ATOM 0 HD12 LEU A 36 31.021 2.674 -18.391 1.00 3.30 H new ATOM 0 HD13 LEU A 36 30.586 4.400 -18.416 1.00 3.30 H new ATOM 0 HD21 LEU A 36 27.625 3.966 -17.691 1.00 54.20 H new ATOM 0 HD22 LEU A 36 28.175 5.050 -18.991 1.00 54.20 H new ATOM 0 HD23 LEU A 36 27.005 3.757 -19.347 1.00 54.20 H new ATOM 597 N GLN A 37 30.791 5.245 -23.173 1.00 40.44 N ATOM 598 CA GLN A 37 31.431 5.157 -24.480 1.00 61.25 C ATOM 599 C GLN A 37 32.789 5.852 -24.470 1.00 74.10 C ATOM 600 O GLN A 37 33.832 5.200 -24.524 1.00 74.23 O ATOM 601 CB GLN A 37 30.535 5.778 -25.554 1.00 22.33 C ATOM 602 CG GLN A 37 29.133 5.191 -25.590 1.00 23.10 C ATOM 603 CD GLN A 37 29.127 3.716 -25.940 1.00 31.13 C ATOM 604 OE1 GLN A 37 30.071 3.205 -26.544 1.00 13.15 O ATOM 605 NE2 GLN A 37 28.060 3.022 -25.561 1.00 52.11 N ATOM 0 H GLN A 37 30.371 6.152 -22.969 1.00 40.44 H new ATOM 0 HA GLN A 37 31.585 4.103 -24.710 1.00 61.25 H new ATOM 0 HB2 GLN A 37 30.466 6.852 -25.381 1.00 22.33 H new ATOM 0 HB3 GLN A 37 31.002 5.641 -26.529 1.00 22.33 H new ATOM 0 HG2 GLN A 37 28.659 5.332 -24.619 1.00 23.10 H new ATOM 0 HG3 GLN A 37 28.534 5.736 -26.319 1.00 23.10 H new ATOM 0 HE21 GLN A 37 27.301 3.486 -25.062 1.00 52.11 H new ATOM 0 HE22 GLN A 37 28.000 2.025 -25.768 1.00 52.11 H new ATOM 614 N TYR A 38 32.768 7.178 -24.400 1.00 52.24 N ATOM 615 CA TYR A 38 33.997 7.962 -24.386 1.00 2.12 C ATOM 616 C TYR A 38 33.828 9.225 -23.546 1.00 23.40 C ATOM 617 O TYR A 38 32.767 9.849 -23.523 1.00 23.30 O ATOM 618 CB TYR A 38 34.406 8.336 -25.812 1.00 34.32 C ATOM 619 CG TYR A 38 35.811 7.909 -26.171 1.00 30.54 C ATOM 620 CD1 TYR A 38 36.143 6.564 -26.279 1.00 31.54 C ATOM 621 CD2 TYR A 38 36.807 8.849 -26.401 1.00 11.43 C ATOM 622 CE1 TYR A 38 37.426 6.168 -26.606 1.00 13.45 C ATOM 623 CE2 TYR A 38 38.092 8.463 -26.730 1.00 11.54 C ATOM 624 CZ TYR A 38 38.396 7.122 -26.831 1.00 4.04 C ATOM 625 OH TYR A 38 39.676 6.734 -27.157 1.00 34.55 O ATOM 0 H TYR A 38 31.913 7.733 -24.352 1.00 52.24 H new ATOM 0 HA TYR A 38 34.781 7.351 -23.939 1.00 2.12 H new ATOM 0 HB2 TYR A 38 33.707 7.880 -26.513 1.00 34.32 H new ATOM 0 HB3 TYR A 38 34.321 9.416 -25.934 1.00 34.32 H new ATOM 0 HD1 TYR A 38 35.385 5.815 -26.104 1.00 31.54 H new ATOM 0 HD2 TYR A 38 36.573 9.900 -26.321 1.00 11.43 H new ATOM 0 HE1 TYR A 38 37.667 5.118 -26.685 1.00 13.45 H new ATOM 0 HE2 TYR A 38 38.854 9.207 -26.907 1.00 11.54 H new ATOM 0 HH TYR A 38 40.236 7.528 -27.284 1.00 34.55 H new ATOM 635 N PRO A 39 34.900 9.611 -22.839 1.00 4.13 N ATOM 636 CA PRO A 39 34.898 10.803 -21.985 1.00 31.32 C ATOM 637 C PRO A 39 34.843 12.095 -22.793 1.00 31.32 C ATOM 638 O PRO A 39 35.851 12.783 -22.949 1.00 21.43 O ATOM 639 CB PRO A 39 36.225 10.700 -21.229 1.00 42.53 C ATOM 640 CG PRO A 39 37.104 9.888 -22.116 1.00 62.21 C ATOM 641 CD PRO A 39 36.198 8.915 -22.819 1.00 11.14 C ATOM 0 HA PRO A 39 34.024 10.838 -21.335 1.00 31.32 H new ATOM 0 HB2 PRO A 39 36.652 11.685 -21.043 1.00 42.53 H new ATOM 0 HB3 PRO A 39 36.092 10.222 -20.259 1.00 42.53 H new ATOM 0 HG2 PRO A 39 37.627 10.521 -22.832 1.00 62.21 H new ATOM 0 HG3 PRO A 39 37.865 9.364 -21.538 1.00 62.21 H new ATOM 0 HD2 PRO A 39 36.551 8.693 -23.826 1.00 11.14 H new ATOM 0 HD3 PRO A 39 36.137 7.966 -22.286 1.00 11.14 H new ATOM 649 N GLU A 40 33.659 12.418 -23.304 1.00 11.03 N ATOM 650 CA GLU A 40 33.474 13.628 -24.096 1.00 3.20 C ATOM 651 C GLU A 40 31.991 13.942 -24.272 1.00 44.21 C ATOM 652 O GLU A 40 31.581 15.103 -24.227 1.00 22.23 O ATOM 653 CB GLU A 40 34.140 13.475 -25.465 1.00 24.31 C ATOM 654 CG GLU A 40 33.684 12.243 -26.229 1.00 41.43 C ATOM 655 CD GLU A 40 34.747 11.715 -27.173 1.00 41.51 C ATOM 656 OE1 GLU A 40 35.829 12.334 -27.253 1.00 10.41 O ATOM 657 OE2 GLU A 40 34.497 10.684 -27.832 1.00 5.53 O ATOM 0 H GLU A 40 32.814 11.859 -23.184 1.00 11.03 H new ATOM 0 HA GLU A 40 33.942 14.455 -23.563 1.00 3.20 H new ATOM 0 HB2 GLU A 40 33.930 14.362 -26.063 1.00 24.31 H new ATOM 0 HB3 GLU A 40 35.221 13.430 -25.331 1.00 24.31 H new ATOM 0 HG2 GLU A 40 33.412 11.461 -25.520 1.00 41.43 H new ATOM 0 HG3 GLU A 40 32.786 12.484 -26.798 1.00 41.43 H new ATOM 664 N LEU A 41 31.192 12.900 -24.474 1.00 2.53 N ATOM 665 CA LEU A 41 29.754 13.064 -24.657 1.00 62.44 C ATOM 666 C LEU A 41 29.007 12.824 -23.349 1.00 44.21 C ATOM 667 O LEU A 41 27.834 12.455 -23.352 1.00 34.44 O ATOM 668 CB LEU A 41 29.245 12.101 -25.732 1.00 10.40 C ATOM 669 CG LEU A 41 29.698 10.647 -25.600 1.00 31.13 C ATOM 670 CD1 LEU A 41 31.058 10.450 -26.251 1.00 0.10 C ATOM 671 CD2 LEU A 41 29.740 10.233 -24.136 1.00 64.40 C ATOM 0 H LEU A 41 31.515 11.933 -24.515 1.00 2.53 H new ATOM 0 HA LEU A 41 29.568 14.089 -24.977 1.00 62.44 H new ATOM 0 HB2 LEU A 41 28.155 12.123 -25.724 1.00 10.40 H new ATOM 0 HB3 LEU A 41 29.565 12.473 -26.705 1.00 10.40 H new ATOM 0 HG LEU A 41 28.977 10.013 -26.116 1.00 31.13 H new ATOM 0 HD11 LEU A 41 31.364 9.409 -26.147 1.00 0.10 H new ATOM 0 HD12 LEU A 41 30.996 10.706 -27.309 1.00 0.10 H new ATOM 0 HD13 LEU A 41 31.791 11.094 -25.765 1.00 0.10 H new ATOM 0 HD21 LEU A 41 30.064 9.195 -24.061 1.00 64.40 H new ATOM 0 HD22 LEU A 41 30.440 10.872 -23.597 1.00 64.40 H new ATOM 0 HD23 LEU A 41 28.746 10.335 -23.700 1.00 64.40 H new ATOM 683 N ALA A 42 29.696 13.039 -22.233 1.00 11.41 N ATOM 684 CA ALA A 42 29.097 12.851 -20.918 1.00 13.25 C ATOM 685 C ALA A 42 28.161 14.004 -20.571 1.00 12.14 C ATOM 686 O ALA A 42 27.072 13.792 -20.037 1.00 43.23 O ATOM 687 CB ALA A 42 30.181 12.712 -19.859 1.00 34.11 C ATOM 0 H ALA A 42 30.669 13.343 -22.214 1.00 11.41 H new ATOM 0 HA ALA A 42 28.508 11.934 -20.942 1.00 13.25 H new ATOM 0 HB1 ALA A 42 29.719 12.572 -18.882 1.00 34.11 H new ATOM 0 HB2 ALA A 42 30.808 11.851 -20.091 1.00 34.11 H new ATOM 0 HB3 ALA A 42 30.794 13.613 -19.845 1.00 34.11 H new ATOM 693 N GLU A 43 28.593 15.224 -20.876 1.00 72.42 N ATOM 694 CA GLU A 43 27.793 16.410 -20.594 1.00 74.44 C ATOM 695 C GLU A 43 26.448 16.342 -21.312 1.00 74.41 C ATOM 696 O GLU A 43 25.398 16.558 -20.707 1.00 54.33 O ATOM 697 CB GLU A 43 28.546 17.672 -21.018 1.00 13.52 C ATOM 698 CG GLU A 43 29.019 18.520 -19.849 1.00 30.34 C ATOM 699 CD GLU A 43 30.075 19.531 -20.251 1.00 11.04 C ATOM 700 OE1 GLU A 43 30.994 19.158 -21.010 1.00 54.42 O ATOM 701 OE2 GLU A 43 29.983 20.694 -19.806 1.00 51.21 O ATOM 0 H GLU A 43 29.492 15.417 -21.318 1.00 72.42 H new ATOM 0 HA GLU A 43 27.611 16.447 -19.520 1.00 74.44 H new ATOM 0 HB2 GLU A 43 29.408 17.385 -21.620 1.00 13.52 H new ATOM 0 HB3 GLU A 43 27.898 18.275 -21.655 1.00 13.52 H new ATOM 0 HG2 GLU A 43 28.166 19.043 -19.416 1.00 30.34 H new ATOM 0 HG3 GLU A 43 29.421 17.869 -19.072 1.00 30.34 H new ATOM 708 N SER A 44 26.488 16.040 -22.606 1.00 25.31 N ATOM 709 CA SER A 44 25.274 15.947 -23.408 1.00 2.30 C ATOM 710 C SER A 44 24.363 14.840 -22.888 1.00 74.10 C ATOM 711 O SER A 44 23.142 14.996 -22.840 1.00 43.22 O ATOM 712 CB SER A 44 25.625 15.688 -24.874 1.00 51.35 C ATOM 713 OG SER A 44 25.439 14.324 -25.210 1.00 50.10 O ATOM 0 H SER A 44 27.349 15.856 -23.121 1.00 25.31 H new ATOM 0 HA SER A 44 24.743 16.896 -23.331 1.00 2.30 H new ATOM 0 HB2 SER A 44 25.003 16.312 -25.516 1.00 51.35 H new ATOM 0 HB3 SER A 44 26.661 15.973 -25.059 1.00 51.35 H new ATOM 0 HG SER A 44 25.668 14.185 -26.153 1.00 50.10 H new ATOM 719 N TYR A 45 24.964 13.721 -22.500 1.00 1.14 N ATOM 720 CA TYR A 45 24.208 12.586 -21.985 1.00 72.43 C ATOM 721 C TYR A 45 23.245 13.025 -20.886 1.00 41.13 C ATOM 722 O TYR A 45 22.121 12.531 -20.794 1.00 54.44 O ATOM 723 CB TYR A 45 25.158 11.514 -21.448 1.00 1.32 C ATOM 724 CG TYR A 45 24.462 10.429 -20.658 1.00 24.03 C ATOM 725 CD1 TYR A 45 23.530 9.593 -21.259 1.00 53.35 C ATOM 726 CD2 TYR A 45 24.739 10.239 -19.309 1.00 73.43 C ATOM 727 CE1 TYR A 45 22.891 8.601 -20.541 1.00 43.11 C ATOM 728 CE2 TYR A 45 24.106 9.248 -18.583 1.00 62.14 C ATOM 729 CZ TYR A 45 23.183 8.432 -19.204 1.00 10.13 C ATOM 730 OH TYR A 45 22.550 7.444 -18.485 1.00 21.20 O ATOM 0 H TYR A 45 25.973 13.576 -22.532 1.00 1.14 H new ATOM 0 HA TYR A 45 23.626 12.168 -22.806 1.00 72.43 H new ATOM 0 HB2 TYR A 45 25.689 11.059 -22.284 1.00 1.32 H new ATOM 0 HB3 TYR A 45 25.908 11.989 -20.815 1.00 1.32 H new ATOM 0 HD1 TYR A 45 23.301 9.721 -22.307 1.00 53.35 H new ATOM 0 HD2 TYR A 45 25.461 10.876 -18.820 1.00 73.43 H new ATOM 0 HE1 TYR A 45 22.167 7.962 -21.024 1.00 43.11 H new ATOM 0 HE2 TYR A 45 24.333 9.113 -17.536 1.00 62.14 H new ATOM 0 HH TYR A 45 22.456 6.643 -19.042 1.00 21.20 H new ATOM 740 N THR A 46 23.695 13.958 -20.053 1.00 52.41 N ATOM 741 CA THR A 46 22.876 14.466 -18.960 1.00 34.44 C ATOM 742 C THR A 46 21.755 15.358 -19.480 1.00 73.13 C ATOM 743 O THR A 46 20.637 15.335 -18.963 1.00 65.25 O ATOM 744 CB THR A 46 23.721 15.261 -17.947 1.00 33.35 C ATOM 745 OG1 THR A 46 24.056 16.543 -18.488 1.00 43.11 O ATOM 746 CG2 THR A 46 24.993 14.505 -17.592 1.00 52.52 C ATOM 0 H THR A 46 24.623 14.377 -20.115 1.00 52.41 H new ATOM 0 HA THR A 46 22.444 13.599 -18.461 1.00 34.44 H new ATOM 0 HB THR A 46 23.132 15.394 -17.040 1.00 33.35 H new ATOM 0 HG1 THR A 46 24.310 16.445 -19.429 1.00 43.11 H new ATOM 0 HG21 THR A 46 25.574 15.086 -16.875 1.00 52.52 H new ATOM 0 HG22 THR A 46 24.733 13.542 -17.153 1.00 52.52 H new ATOM 0 HG23 THR A 46 25.585 14.345 -18.493 1.00 52.52 H new ATOM 754 N LYS A 47 22.059 16.144 -20.507 1.00 63.14 N ATOM 755 CA LYS A 47 21.077 17.043 -21.101 1.00 1.53 C ATOM 756 C LYS A 47 19.902 16.261 -21.679 1.00 44.22 C ATOM 757 O LYS A 47 18.833 16.819 -21.926 1.00 1.22 O ATOM 758 CB LYS A 47 21.728 17.891 -22.196 1.00 12.41 C ATOM 759 CG LYS A 47 20.737 18.731 -22.984 1.00 64.02 C ATOM 760 CD LYS A 47 20.240 17.995 -24.217 1.00 13.20 C ATOM 761 CE LYS A 47 18.767 18.276 -24.477 1.00 25.52 C ATOM 762 NZ LYS A 47 18.510 18.612 -25.905 1.00 24.35 N ATOM 0 H LYS A 47 22.979 16.177 -20.946 1.00 63.14 H new ATOM 0 HA LYS A 47 20.702 17.700 -20.316 1.00 1.53 H new ATOM 0 HB2 LYS A 47 22.469 18.549 -21.742 1.00 12.41 H new ATOM 0 HB3 LYS A 47 22.262 17.235 -22.883 1.00 12.41 H new ATOM 0 HG2 LYS A 47 19.891 18.990 -22.348 1.00 64.02 H new ATOM 0 HG3 LYS A 47 21.209 19.667 -23.283 1.00 64.02 H new ATOM 0 HD2 LYS A 47 20.828 18.297 -25.084 1.00 13.20 H new ATOM 0 HD3 LYS A 47 20.390 16.923 -24.088 1.00 13.20 H new ATOM 0 HE2 LYS A 47 18.176 17.404 -24.197 1.00 25.52 H new ATOM 0 HE3 LYS A 47 18.437 19.101 -23.845 1.00 25.52 H new ATOM 0 HZ1 LYS A 47 17.496 18.797 -26.041 1.00 24.35 H new ATOM 0 HZ2 LYS A 47 19.054 19.459 -26.166 1.00 24.35 H new ATOM 0 HZ3 LYS A 47 18.801 17.815 -26.507 1.00 24.35 H new ATOM 776 N VAL A 48 20.108 14.965 -21.893 1.00 12.35 N ATOM 777 CA VAL A 48 19.065 14.106 -22.439 1.00 73.25 C ATOM 778 C VAL A 48 18.633 13.052 -21.426 1.00 12.45 C ATOM 779 O VAL A 48 18.211 11.956 -21.796 1.00 24.14 O ATOM 780 CB VAL A 48 19.535 13.402 -23.726 1.00 61.41 C ATOM 781 CG1 VAL A 48 18.346 12.860 -24.504 1.00 55.00 C ATOM 782 CG2 VAL A 48 20.355 14.353 -24.584 1.00 64.01 C ATOM 0 H VAL A 48 20.988 14.488 -21.696 1.00 12.35 H new ATOM 0 HA VAL A 48 18.217 14.749 -22.673 1.00 73.25 H new ATOM 0 HB VAL A 48 20.170 12.561 -23.448 1.00 61.41 H new ATOM 0 HG11 VAL A 48 18.698 12.366 -25.410 1.00 55.00 H new ATOM 0 HG12 VAL A 48 17.804 12.143 -23.887 1.00 55.00 H new ATOM 0 HG13 VAL A 48 17.682 13.682 -24.773 1.00 55.00 H new ATOM 0 HG21 VAL A 48 20.679 13.839 -25.489 1.00 64.01 H new ATOM 0 HG22 VAL A 48 19.746 15.216 -24.855 1.00 64.01 H new ATOM 0 HG23 VAL A 48 21.229 14.687 -24.024 1.00 64.01 H new ATOM 792 N CYS A 49 18.740 13.392 -20.146 1.00 12.31 N ATOM 793 CA CYS A 49 18.360 12.475 -19.077 1.00 3.31 C ATOM 794 C CYS A 49 19.224 11.218 -19.107 1.00 14.32 C ATOM 795 O CYS A 49 19.874 10.906 -20.104 1.00 72.45 O ATOM 796 CB CYS A 49 16.884 12.097 -19.201 1.00 55.52 C ATOM 797 SG CYS A 49 15.789 13.028 -18.104 1.00 14.21 S ATOM 0 H CYS A 49 19.087 14.295 -19.823 1.00 12.31 H new ATOM 0 HA CYS A 49 18.519 12.981 -18.125 1.00 3.31 H new ATOM 0 HB2 CYS A 49 16.566 12.252 -20.232 1.00 55.52 H new ATOM 0 HB3 CYS A 49 16.773 11.033 -18.990 1.00 55.52 H new ATOM 0 HG CYS A 49 14.562 12.639 -18.284 1.00 14.21 H new ATOM 803 N PRO A 50 19.233 10.480 -17.987 1.00 71.22 N ATOM 804 CA PRO A 50 20.013 9.246 -17.859 1.00 64.45 C ATOM 805 C PRO A 50 19.455 8.115 -18.717 1.00 41.23 C ATOM 806 O PRO A 50 18.999 7.097 -18.199 1.00 1.23 O ATOM 807 CB PRO A 50 19.890 8.900 -16.373 1.00 40.14 C ATOM 808 CG PRO A 50 18.616 9.539 -15.940 1.00 73.14 C ATOM 809 CD PRO A 50 18.482 10.793 -16.760 1.00 32.41 C ATOM 0 HA PRO A 50 21.041 9.378 -18.196 1.00 64.45 H new ATOM 0 HB2 PRO A 50 19.864 7.821 -16.218 1.00 40.14 H new ATOM 0 HB3 PRO A 50 20.738 9.283 -15.806 1.00 40.14 H new ATOM 0 HG2 PRO A 50 17.769 8.873 -16.105 1.00 73.14 H new ATOM 0 HG3 PRO A 50 18.637 9.770 -14.875 1.00 73.14 H new ATOM 0 HD2 PRO A 50 17.438 11.023 -16.975 1.00 32.41 H new ATOM 0 HD3 PRO A 50 18.899 11.658 -16.243 1.00 32.41 H new ATOM 817 N ASN A 51 19.495 8.302 -20.033 1.00 32.34 N ATOM 818 CA ASN A 51 18.992 7.297 -20.963 1.00 23.25 C ATOM 819 C ASN A 51 17.486 7.116 -20.806 1.00 34.32 C ATOM 820 O ASN A 51 16.948 7.228 -19.704 1.00 51.21 O ATOM 821 CB ASN A 51 19.704 5.961 -20.736 1.00 41.54 C ATOM 822 CG ASN A 51 20.183 5.335 -22.032 1.00 35.32 C ATOM 823 OD1 ASN A 51 19.802 4.214 -22.370 1.00 35.10 O ATOM 824 ND2 ASN A 51 21.022 6.057 -22.764 1.00 4.52 N ATOM 0 H ASN A 51 19.870 9.139 -20.479 1.00 32.34 H new ATOM 0 HA ASN A 51 19.195 7.642 -21.977 1.00 23.25 H new ATOM 0 HB2 ASN A 51 20.555 6.114 -20.073 1.00 41.54 H new ATOM 0 HB3 ASN A 51 19.027 5.272 -20.231 1.00 41.54 H new ATOM 0 HD21 ASN A 51 21.378 5.687 -23.646 1.00 4.52 H new ATOM 0 HD22 ASN A 51 21.311 6.982 -22.445 1.00 4.52 H new ATOM 831 N ARG A 52 16.810 6.834 -21.915 1.00 44.24 N ATOM 832 CA ARG A 52 15.366 6.638 -21.902 1.00 32.03 C ATOM 833 C ARG A 52 14.990 5.317 -22.567 1.00 3.10 C ATOM 834 O ARG A 52 13.881 5.162 -23.080 1.00 44.42 O ATOM 835 CB ARG A 52 14.666 7.797 -22.613 1.00 75.03 C ATOM 836 CG ARG A 52 15.005 9.161 -22.035 1.00 11.00 C ATOM 837 CD ARG A 52 16.104 9.846 -22.832 1.00 12.30 C ATOM 838 NE ARG A 52 15.725 10.044 -24.229 1.00 22.24 N ATOM 839 CZ ARG A 52 14.956 11.043 -24.647 1.00 70.43 C ATOM 840 NH1 ARG A 52 14.487 11.930 -23.781 1.00 55.13 N ATOM 841 NH2 ARG A 52 14.655 11.155 -25.935 1.00 4.42 N ATOM 0 H ARG A 52 17.240 6.736 -22.835 1.00 44.24 H new ATOM 0 HA ARG A 52 15.038 6.608 -20.863 1.00 32.03 H new ATOM 0 HB2 ARG A 52 14.938 7.782 -23.669 1.00 75.03 H new ATOM 0 HB3 ARG A 52 13.588 7.647 -22.559 1.00 75.03 H new ATOM 0 HG2 ARG A 52 14.113 9.787 -22.030 1.00 11.00 H new ATOM 0 HG3 ARG A 52 15.322 9.050 -20.998 1.00 11.00 H new ATOM 0 HD2 ARG A 52 16.333 10.810 -22.378 1.00 12.30 H new ATOM 0 HD3 ARG A 52 17.013 9.247 -22.785 1.00 12.30 H new ATOM 0 HE ARG A 52 16.070 9.379 -24.921 1.00 22.24 H new ATOM 0 HH11 ARG A 52 14.716 11.846 -22.791 1.00 55.13 H new ATOM 0 HH12 ARG A 52 13.897 12.696 -24.105 1.00 55.13 H new ATOM 0 HH21 ARG A 52 15.014 10.474 -26.604 1.00 4.42 H new ATOM 0 HH22 ARG A 52 14.064 11.922 -26.256 1.00 4.42 H new ATOM 855 N CYS A 53 15.921 4.369 -22.555 1.00 14.13 N ATOM 856 CA CYS A 53 15.688 3.062 -23.158 1.00 30.40 C ATOM 857 C CYS A 53 14.959 2.137 -22.188 1.00 50.32 C ATOM 858 O CYS A 53 13.759 1.900 -22.324 1.00 55.45 O ATOM 859 CB CYS A 53 17.014 2.430 -23.584 1.00 41.20 C ATOM 860 SG CYS A 53 17.897 3.357 -24.861 1.00 55.32 S ATOM 0 H CYS A 53 16.843 4.481 -22.135 1.00 14.13 H new ATOM 0 HA CYS A 53 15.061 3.203 -24.038 1.00 30.40 H new ATOM 0 HB2 CYS A 53 17.657 2.335 -22.709 1.00 41.20 H new ATOM 0 HB3 CYS A 53 16.823 1.421 -23.949 1.00 41.20 H new ATOM 0 HG CYS A 53 19.168 3.093 -24.788 1.00 55.32 H new ATOM 866 N ASP A 54 15.693 1.617 -21.211 1.00 34.13 N ATOM 867 CA ASP A 54 15.116 0.717 -20.218 1.00 3.40 C ATOM 868 C ASP A 54 16.186 0.215 -19.254 1.00 24.12 C ATOM 869 O ASP A 54 16.265 0.662 -18.109 1.00 32.03 O ATOM 870 CB ASP A 54 14.435 -0.467 -20.906 1.00 3.22 C ATOM 871 CG ASP A 54 12.923 -0.375 -20.854 1.00 31.03 C ATOM 872 OD1 ASP A 54 12.370 -0.318 -19.735 1.00 73.23 O ATOM 873 OD2 ASP A 54 12.292 -0.359 -21.931 1.00 65.14 O ATOM 0 H ASP A 54 16.688 1.803 -21.085 1.00 34.13 H new ATOM 0 HA ASP A 54 14.371 1.273 -19.648 1.00 3.40 H new ATOM 0 HB2 ASP A 54 14.758 -0.514 -21.946 1.00 3.22 H new ATOM 0 HB3 ASP A 54 14.756 -1.394 -20.431 1.00 3.22 H new ATOM 878 N LEU A 55 17.008 -0.717 -19.724 1.00 31.34 N ATOM 879 CA LEU A 55 18.073 -1.282 -18.903 1.00 25.21 C ATOM 880 C LEU A 55 19.034 -0.194 -18.433 1.00 72.21 C ATOM 881 O LEU A 55 19.542 -0.242 -17.313 1.00 54.02 O ATOM 882 CB LEU A 55 18.838 -2.349 -19.689 1.00 2.15 C ATOM 883 CG LEU A 55 19.398 -1.913 -21.043 1.00 2.52 C ATOM 884 CD1 LEU A 55 20.826 -2.408 -21.215 1.00 75.41 C ATOM 885 CD2 LEU A 55 18.515 -2.420 -22.174 1.00 2.14 C ATOM 0 H LEU A 55 16.957 -1.097 -20.669 1.00 31.34 H new ATOM 0 HA LEU A 55 17.617 -1.742 -18.026 1.00 25.21 H new ATOM 0 HB2 LEU A 55 19.665 -2.702 -19.073 1.00 2.15 H new ATOM 0 HB3 LEU A 55 18.175 -3.199 -19.849 1.00 2.15 H new ATOM 0 HG LEU A 55 19.407 -0.824 -21.077 1.00 2.52 H new ATOM 0 HD11 LEU A 55 21.208 -2.088 -22.185 1.00 75.41 H new ATOM 0 HD12 LEU A 55 21.452 -1.995 -20.424 1.00 75.41 H new ATOM 0 HD13 LEU A 55 20.843 -3.496 -21.160 1.00 75.41 H new ATOM 0 HD21 LEU A 55 18.929 -2.100 -23.130 1.00 2.14 H new ATOM 0 HD22 LEU A 55 18.473 -3.509 -22.143 1.00 2.14 H new ATOM 0 HD23 LEU A 55 17.510 -2.015 -22.060 1.00 2.14 H new ATOM 897 N ALA A 56 19.276 0.787 -19.296 1.00 65.34 N ATOM 898 CA ALA A 56 20.172 1.889 -18.968 1.00 61.13 C ATOM 899 C ALA A 56 19.467 2.932 -18.107 1.00 61.54 C ATOM 900 O ALA A 56 20.101 3.634 -17.319 1.00 65.14 O ATOM 901 CB ALA A 56 20.710 2.528 -20.240 1.00 24.02 C ATOM 0 H ALA A 56 18.864 0.841 -20.228 1.00 65.34 H new ATOM 0 HA ALA A 56 21.008 1.487 -18.395 1.00 61.13 H new ATOM 0 HB1 ALA A 56 21.378 3.349 -19.980 1.00 24.02 H new ATOM 0 HB2 ALA A 56 21.258 1.784 -20.817 1.00 24.02 H new ATOM 0 HB3 ALA A 56 19.880 2.909 -20.835 1.00 24.02 H new ATOM 907 N THR A 57 18.150 3.029 -18.263 1.00 23.40 N ATOM 908 CA THR A 57 17.359 3.987 -17.501 1.00 62.24 C ATOM 909 C THR A 57 17.109 3.489 -16.082 1.00 44.14 C ATOM 910 O THR A 57 17.065 4.276 -15.137 1.00 54.14 O ATOM 911 CB THR A 57 16.005 4.264 -18.182 1.00 4.33 C ATOM 912 OG1 THR A 57 16.216 4.743 -19.515 1.00 30.31 O ATOM 913 CG2 THR A 57 15.202 5.286 -17.392 1.00 2.53 C ATOM 0 H THR A 57 17.609 2.456 -18.910 1.00 23.40 H new ATOM 0 HA THR A 57 17.934 4.912 -17.462 1.00 62.24 H new ATOM 0 HB THR A 57 15.443 3.331 -18.217 1.00 4.33 H new ATOM 0 HG1 THR A 57 16.107 5.717 -19.534 1.00 30.31 H new ATOM 0 HG21 THR A 57 14.250 5.466 -17.892 1.00 2.53 H new ATOM 0 HG22 THR A 57 15.018 4.906 -16.387 1.00 2.53 H new ATOM 0 HG23 THR A 57 15.761 6.219 -17.330 1.00 2.53 H new ATOM 921 N ALA A 58 16.948 2.178 -15.940 1.00 60.41 N ATOM 922 CA ALA A 58 16.706 1.575 -14.635 1.00 75.13 C ATOM 923 C ALA A 58 18.001 1.444 -13.842 1.00 0.34 C ATOM 924 O ALA A 58 18.071 1.844 -12.680 1.00 21.32 O ATOM 925 CB ALA A 58 16.044 0.214 -14.797 1.00 50.41 C ATOM 0 H ALA A 58 16.981 1.513 -16.713 1.00 60.41 H new ATOM 0 HA ALA A 58 16.035 2.230 -14.079 1.00 75.13 H new ATOM 0 HB1 ALA A 58 15.869 -0.225 -13.815 1.00 50.41 H new ATOM 0 HB2 ALA A 58 15.093 0.332 -15.316 1.00 50.41 H new ATOM 0 HB3 ALA A 58 16.695 -0.441 -15.376 1.00 50.41 H new ATOM 931 N ALA A 59 19.024 0.882 -14.476 1.00 63.04 N ATOM 932 CA ALA A 59 20.318 0.700 -13.829 1.00 53.05 C ATOM 933 C ALA A 59 20.910 2.038 -13.401 1.00 1.15 C ATOM 934 O ALA A 59 21.564 2.134 -12.362 1.00 32.13 O ATOM 935 CB ALA A 59 21.275 -0.029 -14.760 1.00 64.22 C ATOM 0 H ALA A 59 18.982 0.544 -15.438 1.00 63.04 H new ATOM 0 HA ALA A 59 20.168 0.096 -12.934 1.00 53.05 H new ATOM 0 HB1 ALA A 59 22.237 -0.158 -14.264 1.00 64.22 H new ATOM 0 HB2 ALA A 59 20.863 -1.006 -15.013 1.00 64.22 H new ATOM 0 HB3 ALA A 59 21.411 0.554 -15.671 1.00 64.22 H new ATOM 941 N ASP A 60 20.678 3.068 -14.207 1.00 12.14 N ATOM 942 CA ASP A 60 21.188 4.402 -13.910 1.00 23.40 C ATOM 943 C ASP A 60 20.474 5.001 -12.703 1.00 33.02 C ATOM 944 O ASP A 60 21.103 5.601 -11.831 1.00 61.23 O ATOM 945 CB ASP A 60 21.021 5.317 -15.124 1.00 33.22 C ATOM 946 CG ASP A 60 21.625 6.689 -14.902 1.00 1.31 C ATOM 947 OD1 ASP A 60 21.071 7.456 -14.087 1.00 42.42 O ATOM 948 OD2 ASP A 60 22.652 6.997 -15.544 1.00 34.23 O ATOM 0 H ASP A 60 20.140 3.005 -15.071 1.00 12.14 H new ATOM 0 HA ASP A 60 22.249 4.314 -13.674 1.00 23.40 H new ATOM 0 HB2 ASP A 60 21.489 4.853 -15.992 1.00 33.22 H new ATOM 0 HB3 ASP A 60 19.960 5.423 -15.352 1.00 33.22 H new ATOM 953 N ARG A 61 19.156 4.835 -12.659 1.00 52.24 N ATOM 954 CA ARG A 61 18.355 5.362 -11.561 1.00 23.15 C ATOM 955 C ARG A 61 18.905 4.895 -10.216 1.00 14.45 C ATOM 956 O ARG A 61 18.961 5.664 -9.256 1.00 52.45 O ATOM 957 CB ARG A 61 16.897 4.923 -11.708 1.00 2.42 C ATOM 958 CG ARG A 61 15.940 6.072 -11.981 1.00 3.43 C ATOM 959 CD ARG A 61 16.330 6.836 -13.237 1.00 22.23 C ATOM 960 NE ARG A 61 17.105 8.035 -12.930 1.00 2.01 N ATOM 961 CZ ARG A 61 16.571 9.153 -12.450 1.00 72.43 C ATOM 962 NH1 ARG A 61 15.266 9.223 -12.223 1.00 44.45 N ATOM 963 NH2 ARG A 61 17.342 10.202 -12.196 1.00 12.10 N ATOM 0 H ARG A 61 18.620 4.339 -13.372 1.00 52.24 H new ATOM 0 HA ARG A 61 18.404 6.450 -11.597 1.00 23.15 H new ATOM 0 HB2 ARG A 61 16.824 4.200 -12.520 1.00 2.42 H new ATOM 0 HB3 ARG A 61 16.587 4.411 -10.797 1.00 2.42 H new ATOM 0 HG2 ARG A 61 14.927 5.685 -12.089 1.00 3.43 H new ATOM 0 HG3 ARG A 61 15.933 6.751 -11.128 1.00 3.43 H new ATOM 0 HD2 ARG A 61 16.912 6.186 -13.891 1.00 22.23 H new ATOM 0 HD3 ARG A 61 15.430 7.116 -13.785 1.00 22.23 H new ATOM 0 HE ARG A 61 18.112 8.013 -13.093 1.00 2.01 H new ATOM 0 HH11 ARG A 61 14.671 8.418 -12.417 1.00 44.45 H new ATOM 0 HH12 ARG A 61 14.858 10.082 -11.854 1.00 44.45 H new ATOM 0 HH21 ARG A 61 18.346 10.151 -12.369 1.00 12.10 H new ATOM 0 HH22 ARG A 61 16.931 11.060 -11.828 1.00 12.10 H new ATOM 977 N ALA A 62 19.308 3.631 -10.153 1.00 71.44 N ATOM 978 CA ALA A 62 19.854 3.062 -8.927 1.00 52.23 C ATOM 979 C ALA A 62 21.342 3.367 -8.796 1.00 1.32 C ATOM 980 O ALA A 62 21.827 3.681 -7.709 1.00 43.34 O ATOM 981 CB ALA A 62 19.616 1.560 -8.890 1.00 72.23 C ATOM 0 H ALA A 62 19.267 2.980 -10.938 1.00 71.44 H new ATOM 0 HA ALA A 62 19.340 3.521 -8.082 1.00 52.23 H new ATOM 0 HB1 ALA A 62 20.029 1.149 -7.969 1.00 72.23 H new ATOM 0 HB2 ALA A 62 18.545 1.360 -8.928 1.00 72.23 H new ATOM 0 HB3 ALA A 62 20.103 1.093 -9.746 1.00 72.23 H new ATOM 987 N ALA A 63 22.061 3.272 -9.909 1.00 45.12 N ATOM 988 CA ALA A 63 23.494 3.539 -9.918 1.00 44.40 C ATOM 989 C ALA A 63 23.796 4.933 -9.377 1.00 63.22 C ATOM 990 O ALA A 63 24.803 5.143 -8.701 1.00 2.04 O ATOM 991 CB ALA A 63 24.051 3.385 -11.326 1.00 3.34 C ATOM 0 H ALA A 63 21.675 3.012 -10.817 1.00 45.12 H new ATOM 0 HA ALA A 63 23.978 2.812 -9.266 1.00 44.40 H new ATOM 0 HB1 ALA A 63 25.122 3.587 -11.318 1.00 3.34 H new ATOM 0 HB2 ALA A 63 23.877 2.368 -11.677 1.00 3.34 H new ATOM 0 HB3 ALA A 63 23.554 4.089 -11.993 1.00 3.34 H new ATOM 997 N LYS A 64 22.918 5.883 -9.680 1.00 63.01 N ATOM 998 CA LYS A 64 23.090 7.257 -9.224 1.00 53.32 C ATOM 999 C LYS A 64 23.067 7.332 -7.701 1.00 14.21 C ATOM 1000 O LYS A 64 23.497 8.323 -7.112 1.00 30.32 O ATOM 1001 CB LYS A 64 21.991 8.150 -9.806 1.00 43.11 C ATOM 1002 CG LYS A 64 22.192 8.483 -11.274 1.00 43.03 C ATOM 1003 CD LYS A 64 23.444 9.317 -11.491 1.00 21.51 C ATOM 1004 CE LYS A 64 23.381 10.627 -10.722 1.00 0.22 C ATOM 1005 NZ LYS A 64 24.425 11.587 -11.175 1.00 42.22 N ATOM 0 H LYS A 64 22.080 5.726 -10.240 1.00 63.01 H new ATOM 0 HA LYS A 64 24.060 7.611 -9.573 1.00 53.32 H new ATOM 0 HB2 LYS A 64 21.028 7.654 -9.683 1.00 43.11 H new ATOM 0 HB3 LYS A 64 21.947 9.077 -9.234 1.00 43.11 H new ATOM 0 HG2 LYS A 64 22.264 7.561 -11.851 1.00 43.03 H new ATOM 0 HG3 LYS A 64 21.323 9.025 -11.647 1.00 43.03 H new ATOM 0 HD2 LYS A 64 24.320 8.750 -11.175 1.00 21.51 H new ATOM 0 HD3 LYS A 64 23.565 9.524 -12.554 1.00 21.51 H new ATOM 0 HE2 LYS A 64 22.396 11.076 -10.849 1.00 0.22 H new ATOM 0 HE3 LYS A 64 23.507 10.430 -9.657 1.00 0.22 H new ATOM 0 HZ1 LYS A 64 24.349 12.467 -10.627 1.00 42.22 H new ATOM 0 HZ2 LYS A 64 25.367 11.170 -11.031 1.00 42.22 H new ATOM 0 HZ3 LYS A 64 24.290 11.796 -12.185 1.00 42.22 H new ATOM 1019 N GLY A 65 22.562 6.277 -7.068 1.00 61.14 N ATOM 1020 CA GLY A 65 22.494 6.243 -5.619 1.00 51.42 C ATOM 1021 C GLY A 65 21.086 6.004 -5.110 1.00 42.44 C ATOM 1022 O GLY A 65 20.814 6.164 -3.921 1.00 34.30 O ATOM 0 H GLY A 65 22.199 5.445 -7.533 1.00 61.14 H new ATOM 0 HA2 GLY A 65 23.150 5.457 -5.246 1.00 51.42 H new ATOM 0 HA3 GLY A 65 22.867 7.186 -5.219 1.00 51.42 H new ATOM 1026 N ALA A 66 20.189 5.623 -6.013 1.00 61.45 N ATOM 1027 CA ALA A 66 18.802 5.361 -5.649 1.00 42.14 C ATOM 1028 C ALA A 66 18.212 6.527 -4.863 1.00 72.23 C ATOM 1029 O ALA A 66 17.886 6.391 -3.684 1.00 34.02 O ATOM 1030 CB ALA A 66 18.702 4.074 -4.844 1.00 14.10 C ATOM 0 H ALA A 66 20.398 5.489 -7.002 1.00 61.45 H new ATOM 0 HA ALA A 66 18.226 5.247 -6.567 1.00 42.14 H new ATOM 0 HB1 ALA A 66 17.661 3.891 -4.579 1.00 14.10 H new ATOM 0 HB2 ALA A 66 19.077 3.242 -5.440 1.00 14.10 H new ATOM 0 HB3 ALA A 66 19.297 4.166 -3.935 1.00 14.10 H new ATOM 1036 N TYR A 67 18.078 7.672 -5.523 1.00 71.34 N ATOM 1037 CA TYR A 67 17.530 8.862 -4.885 1.00 14.41 C ATOM 1038 C TYR A 67 16.210 8.547 -4.186 1.00 45.42 C ATOM 1039 O TYR A 67 15.174 8.397 -4.831 1.00 15.40 O ATOM 1040 CB TYR A 67 17.320 9.970 -5.919 1.00 2.35 C ATOM 1041 CG TYR A 67 17.891 11.306 -5.499 1.00 10.05 C ATOM 1042 CD1 TYR A 67 17.485 11.916 -4.318 1.00 5.31 C ATOM 1043 CD2 TYR A 67 18.835 11.958 -6.282 1.00 54.14 C ATOM 1044 CE1 TYR A 67 18.004 13.137 -3.930 1.00 74.03 C ATOM 1045 CE2 TYR A 67 19.359 13.178 -5.902 1.00 2.11 C ATOM 1046 CZ TYR A 67 18.940 13.764 -4.725 1.00 64.43 C ATOM 1047 OH TYR A 67 19.459 14.979 -4.344 1.00 5.54 O ATOM 0 H TYR A 67 18.342 7.801 -6.500 1.00 71.34 H new ATOM 0 HA TYR A 67 18.245 9.203 -4.136 1.00 14.41 H new ATOM 0 HB2 TYR A 67 17.778 9.668 -6.861 1.00 2.35 H new ATOM 0 HB3 TYR A 67 16.252 10.083 -6.106 1.00 2.35 H new ATOM 0 HD1 TYR A 67 16.752 11.428 -3.693 1.00 5.31 H new ATOM 0 HD2 TYR A 67 19.165 11.503 -7.204 1.00 54.14 H new ATOM 0 HE1 TYR A 67 17.678 13.597 -3.009 1.00 74.03 H new ATOM 0 HE2 TYR A 67 20.093 13.671 -6.523 1.00 2.11 H new ATOM 0 HH TYR A 67 20.106 15.283 -5.014 1.00 5.54 H new ATOM 1057 N GLY A 68 16.259 8.449 -2.861 1.00 12.30 N ATOM 1058 CA GLY A 68 15.062 8.153 -2.095 1.00 2.51 C ATOM 1059 C GLY A 68 14.116 9.335 -2.019 1.00 34.12 C ATOM 1060 O GLY A 68 14.040 10.140 -2.948 1.00 24.25 O ATOM 0 H GLY A 68 17.105 8.569 -2.305 1.00 12.30 H new ATOM 0 HA2 GLY A 68 14.545 7.306 -2.547 1.00 2.51 H new ATOM 0 HA3 GLY A 68 15.345 7.852 -1.086 1.00 2.51 H new ATOM 1064 N TYR A 69 13.390 9.439 -0.911 1.00 42.10 N ATOM 1065 CA TYR A 69 12.440 10.529 -0.719 1.00 64.41 C ATOM 1066 C TYR A 69 11.422 10.570 -1.854 1.00 42.15 C ATOM 1067 O TYR A 69 11.587 11.311 -2.824 1.00 73.41 O ATOM 1068 CB TYR A 69 13.177 11.866 -0.631 1.00 4.11 C ATOM 1069 CG TYR A 69 12.404 12.936 0.106 1.00 1.12 C ATOM 1070 CD1 TYR A 69 11.861 12.688 1.361 1.00 2.41 C ATOM 1071 CD2 TYR A 69 12.215 14.194 -0.452 1.00 44.13 C ATOM 1072 CE1 TYR A 69 11.153 13.663 2.038 1.00 23.41 C ATOM 1073 CE2 TYR A 69 11.510 15.175 0.218 1.00 23.20 C ATOM 1074 CZ TYR A 69 10.981 14.904 1.463 1.00 40.23 C ATOM 1075 OH TYR A 69 10.277 15.878 2.133 1.00 52.00 O ATOM 0 H TYR A 69 13.441 8.782 -0.132 1.00 42.10 H new ATOM 0 HA TYR A 69 11.908 10.353 0.216 1.00 64.41 H new ATOM 0 HB2 TYR A 69 14.134 11.712 -0.132 1.00 4.11 H new ATOM 0 HB3 TYR A 69 13.396 12.217 -1.639 1.00 4.11 H new ATOM 0 HD1 TYR A 69 11.994 11.717 1.815 1.00 2.41 H new ATOM 0 HD2 TYR A 69 12.627 14.409 -1.427 1.00 44.13 H new ATOM 0 HE1 TYR A 69 10.737 13.454 3.012 1.00 23.41 H new ATOM 0 HE2 TYR A 69 11.374 16.148 -0.230 1.00 23.20 H new ATOM 0 HH TYR A 69 10.249 16.693 1.590 1.00 52.00 H new ATOM 1085 N ASP A 70 10.370 9.770 -1.726 1.00 33.13 N ATOM 1086 CA ASP A 70 9.322 9.715 -2.739 1.00 44.11 C ATOM 1087 C ASP A 70 7.944 9.629 -2.092 1.00 32.34 C ATOM 1088 O ASP A 70 7.718 8.818 -1.193 1.00 71.44 O ATOM 1089 CB ASP A 70 9.541 8.517 -3.665 1.00 11.24 C ATOM 1090 CG ASP A 70 9.386 8.881 -5.128 1.00 71.43 C ATOM 1091 OD1 ASP A 70 8.477 9.675 -5.450 1.00 4.33 O ATOM 1092 OD2 ASP A 70 10.174 8.371 -5.952 1.00 55.13 O ATOM 0 H ASP A 70 10.220 9.150 -0.930 1.00 33.13 H new ATOM 0 HA ASP A 70 9.370 10.632 -3.326 1.00 44.11 H new ATOM 0 HB2 ASP A 70 10.538 8.110 -3.498 1.00 11.24 H new ATOM 0 HB3 ASP A 70 8.830 7.731 -3.412 1.00 11.24 H new ATOM 1097 N VAL A 71 7.025 10.471 -2.553 1.00 51.12 N ATOM 1098 CA VAL A 71 5.668 10.490 -2.019 1.00 43.14 C ATOM 1099 C VAL A 71 4.839 9.343 -2.585 1.00 52.05 C ATOM 1100 O VAL A 71 3.826 8.952 -2.006 1.00 24.25 O ATOM 1101 CB VAL A 71 4.961 11.823 -2.331 1.00 23.44 C ATOM 1102 CG1 VAL A 71 4.709 11.957 -3.824 1.00 52.25 C ATOM 1103 CG2 VAL A 71 3.660 11.930 -1.550 1.00 2.02 C ATOM 0 H VAL A 71 7.195 11.149 -3.295 1.00 51.12 H new ATOM 0 HA VAL A 71 5.751 10.376 -0.938 1.00 43.14 H new ATOM 0 HB VAL A 71 5.612 12.641 -2.023 1.00 23.44 H new ATOM 0 HG11 VAL A 71 4.209 12.904 -4.025 1.00 52.25 H new ATOM 0 HG12 VAL A 71 5.659 11.928 -4.357 1.00 52.25 H new ATOM 0 HG13 VAL A 71 4.078 11.135 -4.162 1.00 52.25 H new ATOM 0 HG21 VAL A 71 3.173 12.877 -1.782 1.00 2.02 H new ATOM 0 HG22 VAL A 71 3.001 11.107 -1.826 1.00 2.02 H new ATOM 0 HG23 VAL A 71 3.872 11.883 -0.482 1.00 2.02 H new ATOM 1113 N GLN A 72 5.276 8.808 -3.721 1.00 52.31 N ATOM 1114 CA GLN A 72 4.573 7.705 -4.366 1.00 12.43 C ATOM 1115 C GLN A 72 5.397 7.131 -5.513 1.00 24.42 C ATOM 1116 O GLN A 72 4.859 6.784 -6.565 1.00 64.12 O ATOM 1117 CB GLN A 72 3.212 8.174 -4.885 1.00 23.13 C ATOM 1118 CG GLN A 72 2.094 7.172 -4.650 1.00 73.41 C ATOM 1119 CD GLN A 72 2.225 5.937 -5.520 1.00 35.12 C ATOM 1120 OE1 GLN A 72 1.465 5.750 -6.471 1.00 44.22 O ATOM 1121 NE2 GLN A 72 3.191 5.085 -5.198 1.00 1.23 N ATOM 0 H GLN A 72 6.113 9.120 -4.213 1.00 52.31 H new ATOM 0 HA GLN A 72 4.421 6.921 -3.624 1.00 12.43 H new ATOM 0 HB2 GLN A 72 2.953 9.116 -4.401 1.00 23.13 H new ATOM 0 HB3 GLN A 72 3.290 8.376 -5.953 1.00 23.13 H new ATOM 0 HG2 GLN A 72 2.092 6.875 -3.601 1.00 73.41 H new ATOM 0 HG3 GLN A 72 1.135 7.651 -4.847 1.00 73.41 H new ATOM 0 HE21 GLN A 72 3.798 5.279 -4.402 1.00 1.23 H new ATOM 0 HE22 GLN A 72 3.326 4.236 -5.747 1.00 1.23 H new ATOM 1130 N LEU A 73 6.705 7.033 -5.303 1.00 65.42 N ATOM 1131 CA LEU A 73 7.605 6.500 -6.320 1.00 65.22 C ATOM 1132 C LEU A 73 7.384 7.193 -7.661 1.00 1.34 C ATOM 1133 O LEU A 73 7.315 6.544 -8.705 1.00 34.14 O ATOM 1134 CB LEU A 73 7.399 4.992 -6.473 1.00 75.10 C ATOM 1135 CG LEU A 73 7.613 4.154 -5.212 1.00 74.21 C ATOM 1136 CD1 LEU A 73 8.842 4.632 -4.455 1.00 52.53 C ATOM 1137 CD2 LEU A 73 6.381 4.208 -4.320 1.00 74.45 C ATOM 0 H LEU A 73 7.166 7.315 -4.438 1.00 65.42 H new ATOM 0 HA LEU A 73 8.629 6.690 -5.998 1.00 65.22 H new ATOM 0 HB2 LEU A 73 6.385 4.819 -6.832 1.00 75.10 H new ATOM 0 HB3 LEU A 73 8.077 4.629 -7.245 1.00 75.10 H new ATOM 0 HG LEU A 73 7.776 3.119 -5.511 1.00 74.21 H new ATOM 0 HD11 LEU A 73 8.978 4.024 -3.561 1.00 52.53 H new ATOM 0 HD12 LEU A 73 9.721 4.540 -5.093 1.00 52.53 H new ATOM 0 HD13 LEU A 73 8.709 5.675 -4.168 1.00 52.53 H new ATOM 0 HD21 LEU A 73 6.551 3.606 -3.427 1.00 74.45 H new ATOM 0 HD22 LEU A 73 6.187 5.241 -4.030 1.00 74.45 H new ATOM 0 HD23 LEU A 73 5.521 3.816 -4.863 1.00 74.45 H new ATOM 1149 N THR A 74 7.276 8.518 -7.625 1.00 71.00 N ATOM 1150 CA THR A 74 7.064 9.300 -8.836 1.00 52.32 C ATOM 1151 C THR A 74 8.299 9.278 -9.729 1.00 23.42 C ATOM 1152 O THR A 74 8.203 9.444 -10.945 1.00 60.13 O ATOM 1153 CB THR A 74 6.710 10.763 -8.506 1.00 31.52 C ATOM 1154 OG1 THR A 74 5.727 10.806 -7.466 1.00 32.45 O ATOM 1155 CG2 THR A 74 6.184 11.484 -9.738 1.00 30.34 C ATOM 0 H THR A 74 7.332 9.071 -6.770 1.00 71.00 H new ATOM 0 HA THR A 74 6.228 8.842 -9.365 1.00 52.32 H new ATOM 0 HB THR A 74 7.617 11.266 -8.170 1.00 31.52 H new ATOM 0 HG1 THR A 74 5.509 11.739 -7.261 1.00 32.45 H new ATOM 0 HG21 THR A 74 5.941 12.515 -9.480 1.00 30.34 H new ATOM 0 HG22 THR A 74 6.946 11.475 -10.518 1.00 30.34 H new ATOM 0 HG23 THR A 74 5.288 10.980 -10.100 1.00 30.34 H new ATOM 1163 N THR A 75 9.462 9.070 -9.118 1.00 14.13 N ATOM 1164 CA THR A 75 10.717 9.026 -9.857 1.00 52.01 C ATOM 1165 C THR A 75 10.709 7.902 -10.887 1.00 1.02 C ATOM 1166 O THR A 75 11.028 8.116 -12.057 1.00 50.22 O ATOM 1167 CB THR A 75 11.919 8.834 -8.913 1.00 34.21 C ATOM 1168 OG1 THR A 75 11.771 7.616 -8.174 1.00 42.11 O ATOM 1169 CG2 THR A 75 12.043 10.005 -7.950 1.00 42.13 C ATOM 0 H THR A 75 9.560 8.929 -8.112 1.00 14.13 H new ATOM 0 HA THR A 75 10.816 9.983 -10.369 1.00 52.01 H new ATOM 0 HB THR A 75 12.824 8.784 -9.518 1.00 34.21 H new ATOM 0 HG1 THR A 75 11.227 7.782 -7.376 1.00 42.11 H new ATOM 0 HG21 THR A 75 12.899 9.847 -7.293 1.00 42.13 H new ATOM 0 HG22 THR A 75 12.184 10.927 -8.514 1.00 42.13 H new ATOM 0 HG23 THR A 75 11.135 10.081 -7.351 1.00 42.13 H new ATOM 1177 N LEU A 76 10.343 6.704 -10.445 1.00 72.01 N ATOM 1178 CA LEU A 76 10.293 5.545 -11.330 1.00 33.15 C ATOM 1179 C LEU A 76 9.078 5.614 -12.249 1.00 71.14 C ATOM 1180 O LEU A 76 9.171 5.322 -13.442 1.00 32.32 O ATOM 1181 CB LEU A 76 10.253 4.254 -10.509 1.00 41.34 C ATOM 1182 CG LEU A 76 10.886 3.025 -11.162 1.00 32.41 C ATOM 1183 CD1 LEU A 76 12.318 2.843 -10.682 1.00 55.13 C ATOM 1184 CD2 LEU A 76 10.061 1.780 -10.867 1.00 52.41 C ATOM 0 H LEU A 76 10.077 6.510 -9.480 1.00 72.01 H new ATOM 0 HA LEU A 76 11.192 5.550 -11.946 1.00 33.15 H new ATOM 0 HB2 LEU A 76 10.755 4.435 -9.559 1.00 41.34 H new ATOM 0 HB3 LEU A 76 9.212 4.024 -10.281 1.00 41.34 H new ATOM 0 HG LEU A 76 10.903 3.179 -12.241 1.00 32.41 H new ATOM 0 HD11 LEU A 76 12.752 1.963 -11.157 1.00 55.13 H new ATOM 0 HD12 LEU A 76 12.904 3.724 -10.944 1.00 55.13 H new ATOM 0 HD13 LEU A 76 12.325 2.711 -9.600 1.00 55.13 H new ATOM 0 HD21 LEU A 76 10.526 0.915 -11.339 1.00 52.41 H new ATOM 0 HD22 LEU A 76 10.012 1.623 -9.790 1.00 52.41 H new ATOM 0 HD23 LEU A 76 9.053 1.910 -11.261 1.00 52.41 H new ATOM 1196 N LYS A 77 7.939 6.004 -11.688 1.00 13.30 N ATOM 1197 CA LYS A 77 6.705 6.116 -12.457 1.00 70.11 C ATOM 1198 C LYS A 77 6.853 7.141 -13.577 1.00 70.43 C ATOM 1199 O LYS A 77 6.274 6.986 -14.652 1.00 30.11 O ATOM 1200 CB LYS A 77 5.543 6.509 -11.542 1.00 41.11 C ATOM 1201 CG LYS A 77 4.339 5.591 -11.660 1.00 13.14 C ATOM 1202 CD LYS A 77 4.662 4.184 -11.185 1.00 54.21 C ATOM 1203 CE LYS A 77 4.954 4.153 -9.693 1.00 22.42 C ATOM 1204 NZ LYS A 77 6.366 3.772 -9.412 1.00 44.34 N ATOM 0 H LYS A 77 7.844 6.248 -10.702 1.00 13.30 H new ATOM 0 HA LYS A 77 6.495 5.144 -12.903 1.00 70.11 H new ATOM 0 HB2 LYS A 77 5.889 6.509 -10.508 1.00 41.11 H new ATOM 0 HB3 LYS A 77 5.236 7.529 -11.776 1.00 41.11 H new ATOM 0 HG2 LYS A 77 3.514 5.994 -11.072 1.00 13.14 H new ATOM 0 HG3 LYS A 77 4.005 5.558 -12.697 1.00 13.14 H new ATOM 0 HD2 LYS A 77 3.824 3.523 -11.407 1.00 54.21 H new ATOM 0 HD3 LYS A 77 5.523 3.802 -11.733 1.00 54.21 H new ATOM 0 HE2 LYS A 77 4.750 5.133 -9.263 1.00 22.42 H new ATOM 0 HE3 LYS A 77 4.283 3.445 -9.206 1.00 22.42 H new ATOM 0 HZ1 LYS A 77 6.420 3.294 -8.490 1.00 44.34 H new ATOM 0 HZ2 LYS A 77 6.707 3.129 -10.155 1.00 44.34 H new ATOM 0 HZ3 LYS A 77 6.959 4.626 -9.395 1.00 44.34 H new ATOM 1218 N GLU A 78 7.633 8.186 -13.318 1.00 71.52 N ATOM 1219 CA GLU A 78 7.857 9.234 -14.306 1.00 55.51 C ATOM 1220 C GLU A 78 8.825 8.765 -15.388 1.00 50.31 C ATOM 1221 O GLU A 78 8.730 9.180 -16.543 1.00 42.33 O ATOM 1222 CB GLU A 78 8.401 10.495 -13.630 1.00 62.43 C ATOM 1223 CG GLU A 78 8.582 11.666 -14.581 1.00 70.34 C ATOM 1224 CD GLU A 78 9.301 12.835 -13.937 1.00 64.22 C ATOM 1225 OE1 GLU A 78 8.725 13.450 -13.016 1.00 0.31 O ATOM 1226 OE2 GLU A 78 10.440 13.134 -14.354 1.00 54.30 O ATOM 0 H GLU A 78 8.120 8.329 -12.433 1.00 71.52 H new ATOM 0 HA GLU A 78 6.901 9.466 -14.775 1.00 55.51 H new ATOM 0 HB2 GLU A 78 7.722 10.790 -12.830 1.00 62.43 H new ATOM 0 HB3 GLU A 78 9.360 10.263 -13.166 1.00 62.43 H new ATOM 0 HG2 GLU A 78 9.143 11.336 -15.455 1.00 70.34 H new ATOM 0 HG3 GLU A 78 7.605 11.996 -14.935 1.00 70.34 H new ATOM 1233 N ASP A 79 9.756 7.899 -15.005 1.00 31.31 N ATOM 1234 CA ASP A 79 10.742 7.372 -15.941 1.00 61.03 C ATOM 1235 C ASP A 79 10.105 6.361 -16.890 1.00 23.04 C ATOM 1236 O ASP A 79 10.290 6.434 -18.105 1.00 35.10 O ATOM 1237 CB ASP A 79 11.899 6.720 -15.183 1.00 64.01 C ATOM 1238 CG ASP A 79 13.157 7.567 -15.206 1.00 34.12 C ATOM 1239 OD1 ASP A 79 13.845 7.578 -16.247 1.00 51.44 O ATOM 1240 OD2 ASP A 79 13.453 8.218 -14.182 1.00 33.45 O ATOM 0 H ASP A 79 9.849 7.547 -14.052 1.00 31.31 H new ATOM 0 HA ASP A 79 11.127 8.204 -16.531 1.00 61.03 H new ATOM 0 HB2 ASP A 79 11.600 6.546 -14.149 1.00 64.01 H new ATOM 0 HB3 ASP A 79 12.113 5.745 -15.621 1.00 64.01 H new ATOM 1245 N ILE A 80 9.357 5.419 -16.326 1.00 60.41 N ATOM 1246 CA ILE A 80 8.693 4.393 -17.122 1.00 4.33 C ATOM 1247 C ILE A 80 7.765 5.017 -18.158 1.00 14.02 C ATOM 1248 O ILE A 80 7.704 4.568 -19.302 1.00 72.53 O ATOM 1249 CB ILE A 80 7.882 3.430 -16.235 1.00 41.21 C ATOM 1250 CG1 ILE A 80 7.151 2.401 -17.099 1.00 73.21 C ATOM 1251 CG2 ILE A 80 6.895 4.206 -15.376 1.00 32.21 C ATOM 1252 CD1 ILE A 80 8.075 1.571 -17.963 1.00 13.22 C ATOM 0 H ILE A 80 9.195 5.345 -15.322 1.00 60.41 H new ATOM 0 HA ILE A 80 9.476 3.832 -17.631 1.00 4.33 H new ATOM 0 HB ILE A 80 8.569 2.900 -15.575 1.00 41.21 H new ATOM 0 HG12 ILE A 80 6.578 1.737 -16.452 1.00 73.21 H new ATOM 0 HG13 ILE A 80 6.436 2.918 -17.739 1.00 73.21 H new ATOM 0 HG21 ILE A 80 6.329 3.512 -14.755 1.00 32.21 H new ATOM 0 HG22 ILE A 80 7.438 4.904 -14.739 1.00 32.21 H new ATOM 0 HG23 ILE A 80 6.210 4.759 -16.019 1.00 32.21 H new ATOM 0 HD11 ILE A 80 7.488 0.863 -18.548 1.00 13.22 H new ATOM 0 HD12 ILE A 80 8.630 2.225 -18.635 1.00 13.22 H new ATOM 0 HD13 ILE A 80 8.774 1.026 -17.329 1.00 13.22 H new ATOM 1264 N ARG A 81 7.044 6.056 -17.749 1.00 52.10 N ATOM 1265 CA ARG A 81 6.118 6.743 -18.642 1.00 62.41 C ATOM 1266 C ARG A 81 6.874 7.569 -19.678 1.00 65.13 C ATOM 1267 O ARG A 81 6.416 7.737 -20.809 1.00 60.42 O ATOM 1268 CB ARG A 81 5.178 7.646 -17.841 1.00 64.41 C ATOM 1269 CG ARG A 81 5.884 8.806 -17.158 1.00 71.12 C ATOM 1270 CD ARG A 81 4.895 9.727 -16.461 1.00 72.04 C ATOM 1271 NE ARG A 81 3.876 10.230 -17.379 1.00 10.44 N ATOM 1272 CZ ARG A 81 2.717 10.742 -16.980 1.00 74.12 C ATOM 1273 NH1 ARG A 81 2.431 10.818 -15.688 1.00 32.43 N ATOM 1274 NH2 ARG A 81 1.840 11.180 -17.875 1.00 64.55 N ATOM 0 H ARG A 81 7.083 6.441 -16.805 1.00 52.10 H new ATOM 0 HA ARG A 81 5.529 5.989 -19.163 1.00 62.41 H new ATOM 0 HB2 ARG A 81 4.411 8.040 -18.508 1.00 64.41 H new ATOM 0 HB3 ARG A 81 4.668 7.047 -17.087 1.00 64.41 H new ATOM 0 HG2 ARG A 81 6.599 8.421 -16.431 1.00 71.12 H new ATOM 0 HG3 ARG A 81 6.453 9.372 -17.895 1.00 71.12 H new ATOM 0 HD2 ARG A 81 4.414 9.190 -15.644 1.00 72.04 H new ATOM 0 HD3 ARG A 81 5.431 10.567 -16.019 1.00 72.04 H new ATOM 0 HE ARG A 81 4.065 10.186 -18.380 1.00 10.44 H new ATOM 0 HH11 ARG A 81 3.102 10.483 -14.997 1.00 32.43 H new ATOM 0 HH12 ARG A 81 1.540 11.212 -15.385 1.00 32.43 H new ATOM 0 HH21 ARG A 81 2.056 11.124 -18.870 1.00 64.55 H new ATOM 0 HH22 ARG A 81 0.950 11.573 -17.567 1.00 64.55 H new ATOM 1288 N LEU A 82 8.034 8.083 -19.285 1.00 3.41 N ATOM 1289 CA LEU A 82 8.855 8.893 -20.179 1.00 53.01 C ATOM 1290 C LEU A 82 9.444 8.041 -21.298 1.00 65.32 C ATOM 1291 O LEU A 82 9.482 8.458 -22.455 1.00 70.13 O ATOM 1292 CB LEU A 82 9.978 9.575 -19.396 1.00 31.54 C ATOM 1293 CG LEU A 82 10.739 10.676 -20.134 1.00 51.12 C ATOM 1294 CD1 LEU A 82 11.699 10.074 -21.148 1.00 24.21 C ATOM 1295 CD2 LEU A 82 9.769 11.629 -20.817 1.00 15.01 C ATOM 0 H LEU A 82 8.428 7.953 -18.353 1.00 3.41 H new ATOM 0 HA LEU A 82 8.218 9.656 -20.625 1.00 53.01 H new ATOM 0 HB2 LEU A 82 9.553 10.001 -18.487 1.00 31.54 H new ATOM 0 HB3 LEU A 82 10.693 8.812 -19.086 1.00 31.54 H new ATOM 0 HG LEU A 82 11.320 11.241 -19.405 1.00 51.12 H new ATOM 0 HD11 LEU A 82 12.232 10.873 -21.664 1.00 24.21 H new ATOM 0 HD12 LEU A 82 12.415 9.433 -20.635 1.00 24.21 H new ATOM 0 HD13 LEU A 82 11.139 9.484 -21.874 1.00 24.21 H new ATOM 0 HD21 LEU A 82 10.328 12.406 -21.337 1.00 15.01 H new ATOM 0 HD22 LEU A 82 9.161 11.077 -21.534 1.00 15.01 H new ATOM 0 HD23 LEU A 82 9.122 12.087 -20.069 1.00 15.01 H new ATOM 1307 N MET A 83 9.902 6.844 -20.945 1.00 61.00 N ATOM 1308 CA MET A 83 10.487 5.931 -21.921 1.00 12.43 C ATOM 1309 C MET A 83 9.441 5.473 -22.932 1.00 14.32 C ATOM 1310 O MET A 83 9.637 5.594 -24.141 1.00 52.31 O ATOM 1311 CB MET A 83 11.096 4.719 -21.215 1.00 65.41 C ATOM 1312 CG MET A 83 12.281 5.064 -20.328 1.00 24.12 C ATOM 1313 SD MET A 83 12.908 3.638 -19.420 1.00 63.30 S ATOM 1314 CE MET A 83 12.303 3.992 -17.772 1.00 53.31 C ATOM 0 H MET A 83 9.879 6.484 -19.991 1.00 61.00 H new ATOM 0 HA MET A 83 11.273 6.464 -22.455 1.00 12.43 H new ATOM 0 HB2 MET A 83 10.328 4.238 -20.610 1.00 65.41 H new ATOM 0 HB3 MET A 83 11.413 3.994 -21.964 1.00 65.41 H new ATOM 0 HG2 MET A 83 13.080 5.479 -20.942 1.00 24.12 H new ATOM 0 HG3 MET A 83 11.987 5.839 -19.621 1.00 24.12 H new ATOM 0 HE1 MET A 83 12.986 3.570 -17.035 1.00 53.31 H new ATOM 0 HE2 MET A 83 12.240 5.071 -17.632 1.00 53.31 H new ATOM 0 HE3 MET A 83 11.314 3.551 -17.645 1.00 53.31 H new ATOM 1324 N VAL A 84 8.329 4.946 -22.429 1.00 13.42 N ATOM 1325 CA VAL A 84 7.251 4.471 -23.288 1.00 62.13 C ATOM 1326 C VAL A 84 6.785 5.565 -24.242 1.00 45.31 C ATOM 1327 O VAL A 84 6.389 5.289 -25.373 1.00 41.14 O ATOM 1328 CB VAL A 84 6.048 3.980 -22.461 1.00 3.21 C ATOM 1329 CG1 VAL A 84 5.507 5.102 -21.588 1.00 24.05 C ATOM 1330 CG2 VAL A 84 4.962 3.433 -23.374 1.00 54.22 C ATOM 0 H VAL A 84 8.151 4.837 -21.431 1.00 13.42 H new ATOM 0 HA VAL A 84 7.651 3.637 -23.864 1.00 62.13 H new ATOM 0 HB VAL A 84 6.382 3.173 -21.809 1.00 3.21 H new ATOM 0 HG11 VAL A 84 4.657 4.737 -21.011 1.00 24.05 H new ATOM 0 HG12 VAL A 84 6.288 5.443 -20.908 1.00 24.05 H new ATOM 0 HG13 VAL A 84 5.187 5.932 -22.218 1.00 24.05 H new ATOM 0 HG21 VAL A 84 4.120 3.091 -22.773 1.00 54.22 H new ATOM 0 HG22 VAL A 84 4.628 4.218 -24.053 1.00 54.22 H new ATOM 0 HG23 VAL A 84 5.359 2.598 -23.952 1.00 54.22 H new ATOM 1340 N ASN A 85 6.837 6.809 -23.777 1.00 11.30 N ATOM 1341 CA ASN A 85 6.420 7.947 -24.589 1.00 60.31 C ATOM 1342 C ASN A 85 7.344 8.125 -25.790 1.00 54.03 C ATOM 1343 O ASN A 85 6.885 8.288 -26.920 1.00 34.00 O ATOM 1344 CB ASN A 85 6.408 9.224 -23.747 1.00 12.01 C ATOM 1345 CG ASN A 85 5.081 9.442 -23.046 1.00 73.21 C ATOM 1346 OD1 ASN A 85 4.019 9.161 -23.602 1.00 51.24 O ATOM 1347 ND2 ASN A 85 5.136 9.945 -21.818 1.00 73.04 N ATOM 0 H ASN A 85 7.164 7.055 -22.843 1.00 11.30 H new ATOM 0 HA ASN A 85 5.412 7.751 -24.954 1.00 60.31 H new ATOM 0 HB2 ASN A 85 7.204 9.174 -23.004 1.00 12.01 H new ATOM 0 HB3 ASN A 85 6.623 10.080 -24.387 1.00 12.01 H new ATOM 0 HD21 ASN A 85 4.276 10.113 -21.297 1.00 73.04 H new ATOM 0 HD22 ASN A 85 6.039 10.163 -21.396 1.00 73.04 H new ATOM 1354 N ASN A 86 8.648 8.092 -25.537 1.00 51.20 N ATOM 1355 CA ASN A 86 9.637 8.250 -26.597 1.00 54.24 C ATOM 1356 C ASN A 86 9.757 6.973 -27.423 1.00 42.03 C ATOM 1357 O ASN A 86 10.249 6.996 -28.552 1.00 73.14 O ATOM 1358 CB ASN A 86 10.998 8.617 -26.003 1.00 50.14 C ATOM 1359 CG ASN A 86 11.711 9.685 -26.809 1.00 44.52 C ATOM 1360 OD1 ASN A 86 12.713 9.414 -27.471 1.00 63.11 O ATOM 1361 ND2 ASN A 86 11.197 10.909 -26.756 1.00 71.43 N ATOM 0 H ASN A 86 9.045 7.957 -24.607 1.00 51.20 H new ATOM 0 HA ASN A 86 9.306 9.056 -27.252 1.00 54.24 H new ATOM 0 HB2 ASN A 86 10.862 8.968 -24.980 1.00 50.14 H new ATOM 0 HB3 ASN A 86 11.623 7.725 -25.954 1.00 50.14 H new ATOM 0 HD21 ASN A 86 11.635 11.669 -27.277 1.00 71.43 H new ATOM 0 HD22 ASN A 86 10.365 11.089 -26.194 1.00 71.43 H new ATOM 1368 N CYS A 87 9.305 5.862 -26.853 1.00 62.32 N ATOM 1369 CA CYS A 87 9.362 4.574 -27.536 1.00 43.23 C ATOM 1370 C CYS A 87 8.487 4.582 -28.785 1.00 35.20 C ATOM 1371 O CYS A 87 8.988 4.516 -29.907 1.00 65.14 O ATOM 1372 CB CYS A 87 8.919 3.454 -26.595 1.00 21.44 C ATOM 1373 SG CYS A 87 10.282 2.608 -25.761 1.00 23.51 S ATOM 0 H CYS A 87 8.895 5.827 -25.920 1.00 62.32 H new ATOM 0 HA CYS A 87 10.394 4.396 -27.839 1.00 43.23 H new ATOM 0 HB2 CYS A 87 8.249 3.870 -25.843 1.00 21.44 H new ATOM 0 HB3 CYS A 87 8.345 2.722 -27.163 1.00 21.44 H new ATOM 0 HG CYS A 87 9.807 1.679 -24.985 1.00 23.51 H new ATOM 1379 N ILE A 88 7.176 4.661 -28.581 1.00 71.04 N ATOM 1380 CA ILE A 88 6.231 4.676 -29.691 1.00 14.51 C ATOM 1381 C ILE A 88 6.392 5.937 -30.533 1.00 44.14 C ATOM 1382 O ILE A 88 6.144 5.927 -31.740 1.00 24.01 O ATOM 1383 CB ILE A 88 4.776 4.589 -29.192 1.00 60.24 C ATOM 1384 CG1 ILE A 88 4.442 5.796 -28.313 1.00 73.41 C ATOM 1385 CG2 ILE A 88 4.555 3.292 -28.428 1.00 4.21 C ATOM 1386 CD1 ILE A 88 3.706 6.894 -29.049 1.00 22.23 C ATOM 0 H ILE A 88 6.745 4.716 -27.658 1.00 71.04 H new ATOM 0 HA ILE A 88 6.450 3.802 -30.304 1.00 14.51 H new ATOM 0 HB ILE A 88 4.110 4.597 -30.055 1.00 60.24 H new ATOM 0 HG12 ILE A 88 3.835 5.465 -27.470 1.00 73.41 H new ATOM 0 HG13 ILE A 88 5.366 6.202 -27.901 1.00 73.41 H new ATOM 0 HG21 ILE A 88 3.523 3.245 -28.082 1.00 4.21 H new ATOM 0 HG22 ILE A 88 4.757 2.445 -29.083 1.00 4.21 H new ATOM 0 HG23 ILE A 88 5.227 3.256 -27.571 1.00 4.21 H new ATOM 0 HD11 ILE A 88 3.502 7.717 -28.365 1.00 22.23 H new ATOM 0 HD12 ILE A 88 4.320 7.253 -29.875 1.00 22.23 H new ATOM 0 HD13 ILE A 88 2.765 6.504 -29.438 1.00 22.23 H new ATOM 1398 N LEU A 89 6.811 7.022 -29.891 1.00 24.43 N ATOM 1399 CA LEU A 89 7.009 8.292 -30.581 1.00 70.50 C ATOM 1400 C LEU A 89 8.209 8.220 -31.520 1.00 1.23 C ATOM 1401 O LEU A 89 8.068 8.350 -32.736 1.00 0.32 O ATOM 1402 CB LEU A 89 7.206 9.420 -29.568 1.00 1.25 C ATOM 1403 CG LEU A 89 7.470 10.808 -30.152 1.00 13.53 C ATOM 1404 CD1 LEU A 89 6.258 11.707 -29.959 1.00 43.43 C ATOM 1405 CD2 LEU A 89 8.704 11.430 -29.514 1.00 71.22 C ATOM 0 H LEU A 89 7.020 7.048 -28.893 1.00 24.43 H new ATOM 0 HA LEU A 89 6.118 8.498 -31.175 1.00 70.50 H new ATOM 0 HB2 LEU A 89 6.318 9.475 -28.939 1.00 1.25 H new ATOM 0 HB3 LEU A 89 8.041 9.156 -28.918 1.00 1.25 H new ATOM 0 HG LEU A 89 7.653 10.702 -31.221 1.00 13.53 H new ATOM 0 HD11 LEU A 89 6.464 12.691 -30.381 1.00 43.43 H new ATOM 0 HD12 LEU A 89 5.396 11.269 -30.463 1.00 43.43 H new ATOM 0 HD13 LEU A 89 6.044 11.806 -28.895 1.00 43.43 H new ATOM 0 HD21 LEU A 89 8.876 12.418 -29.942 1.00 71.22 H new ATOM 0 HD22 LEU A 89 8.550 11.522 -28.439 1.00 71.22 H new ATOM 0 HD23 LEU A 89 9.570 10.796 -29.704 1.00 71.22 H new ATOM 1417 N PHE A 90 9.390 8.011 -30.947 1.00 71.41 N ATOM 1418 CA PHE A 90 10.615 7.920 -31.733 1.00 2.44 C ATOM 1419 C PHE A 90 10.594 6.690 -32.635 1.00 34.34 C ATOM 1420 O PHE A 90 10.648 6.803 -33.858 1.00 53.13 O ATOM 1421 CB PHE A 90 11.835 7.869 -30.810 1.00 51.32 C ATOM 1422 CG PHE A 90 13.044 8.556 -31.377 1.00 44.11 C ATOM 1423 CD1 PHE A 90 12.985 9.886 -31.762 1.00 25.11 C ATOM 1424 CD2 PHE A 90 14.240 7.872 -31.525 1.00 3.33 C ATOM 1425 CE1 PHE A 90 14.097 10.520 -32.285 1.00 32.14 C ATOM 1426 CE2 PHE A 90 15.355 8.501 -32.046 1.00 41.23 C ATOM 1427 CZ PHE A 90 15.283 9.827 -32.426 1.00 4.22 C ATOM 0 H PHE A 90 9.524 7.902 -29.942 1.00 71.41 H new ATOM 0 HA PHE A 90 10.680 8.808 -32.362 1.00 2.44 H new ATOM 0 HB2 PHE A 90 11.579 8.330 -29.856 1.00 51.32 H new ATOM 0 HB3 PHE A 90 12.082 6.827 -30.604 1.00 51.32 H new ATOM 0 HD1 PHE A 90 12.060 10.433 -31.652 1.00 25.11 H new ATOM 0 HD2 PHE A 90 14.302 6.835 -31.230 1.00 3.33 H new ATOM 0 HE1 PHE A 90 14.038 11.556 -32.583 1.00 32.14 H new ATOM 0 HE2 PHE A 90 16.281 7.956 -32.156 1.00 41.23 H new ATOM 0 HZ PHE A 90 16.153 10.321 -32.833 1.00 4.22 H new ATOM 1437 N ASN A 91 10.515 5.514 -32.020 1.00 11.14 N ATOM 1438 CA ASN A 91 10.487 4.261 -32.766 1.00 4.41 C ATOM 1439 C ASN A 91 10.414 3.066 -31.820 1.00 44.34 C ATOM 1440 O ASN A 91 11.407 2.694 -31.196 1.00 72.10 O ATOM 1441 CB ASN A 91 11.726 4.147 -33.656 1.00 65.21 C ATOM 1442 CG ASN A 91 11.388 4.228 -35.132 1.00 74.01 C ATOM 1443 OD1 ASN A 91 11.890 5.094 -35.849 1.00 34.21 O ATOM 1444 ND2 ASN A 91 10.531 3.324 -35.593 1.00 24.51 N ATOM 0 H ASN A 91 10.469 5.403 -31.007 1.00 11.14 H new ATOM 0 HA ASN A 91 9.596 4.259 -33.393 1.00 4.41 H new ATOM 0 HB2 ASN A 91 12.426 4.943 -33.402 1.00 65.21 H new ATOM 0 HB3 ASN A 91 12.230 3.202 -33.453 1.00 65.21 H new ATOM 0 HD21 ASN A 91 10.264 3.329 -36.578 1.00 24.51 H new ATOM 0 HD22 ASN A 91 10.140 2.624 -34.962 1.00 24.51 H new ATOM 1451 N GLY A 92 9.231 2.469 -31.721 1.00 32.42 N ATOM 1452 CA GLY A 92 9.050 1.322 -30.850 1.00 72.22 C ATOM 1453 C GLY A 92 7.921 0.419 -31.307 1.00 43.05 C ATOM 1454 O GLY A 92 8.161 -0.663 -31.842 1.00 20.32 O ATOM 0 H GLY A 92 8.395 2.759 -32.228 1.00 32.42 H new ATOM 0 HA2 GLY A 92 9.976 0.749 -30.812 1.00 72.22 H new ATOM 0 HA3 GLY A 92 8.847 1.668 -29.836 1.00 72.22 H new ATOM 1458 N ALA A 93 6.687 0.864 -31.096 1.00 30.10 N ATOM 1459 CA ALA A 93 5.517 0.089 -31.491 1.00 24.34 C ATOM 1460 C ALA A 93 4.943 0.595 -32.809 1.00 55.11 C ATOM 1461 O ALA A 93 5.001 -0.094 -33.827 1.00 44.30 O ATOM 1462 CB ALA A 93 4.459 0.137 -30.398 1.00 64.52 C ATOM 0 H ALA A 93 6.471 1.757 -30.654 1.00 30.10 H new ATOM 0 HA ALA A 93 5.828 -0.946 -31.635 1.00 24.34 H new ATOM 0 HB1 ALA A 93 3.591 -0.446 -30.706 1.00 64.52 H new ATOM 0 HB2 ALA A 93 4.868 -0.280 -29.477 1.00 64.52 H new ATOM 0 HB3 ALA A 93 4.160 1.171 -30.227 1.00 64.52 H new ATOM 1468 N GLU A 94 4.386 1.802 -32.782 1.00 44.32 N ATOM 1469 CA GLU A 94 3.800 2.399 -33.976 1.00 75.03 C ATOM 1470 C GLU A 94 2.698 1.509 -34.544 1.00 71.42 C ATOM 1471 O GLU A 94 2.343 1.614 -35.717 1.00 71.43 O ATOM 1472 CB GLU A 94 4.877 2.636 -35.037 1.00 75.21 C ATOM 1473 CG GLU A 94 4.761 3.982 -35.732 1.00 1.44 C ATOM 1474 CD GLU A 94 3.772 3.963 -36.880 1.00 55.34 C ATOM 1475 OE1 GLU A 94 4.089 3.362 -37.928 1.00 32.04 O ATOM 1476 OE2 GLU A 94 2.679 4.550 -36.731 1.00 41.24 O ATOM 0 H GLU A 94 4.328 2.385 -31.947 1.00 44.32 H new ATOM 0 HA GLU A 94 3.362 3.356 -33.694 1.00 75.03 H new ATOM 0 HB2 GLU A 94 5.859 2.562 -34.569 1.00 75.21 H new ATOM 0 HB3 GLU A 94 4.819 1.845 -35.784 1.00 75.21 H new ATOM 0 HG2 GLU A 94 4.455 4.736 -35.007 1.00 1.44 H new ATOM 0 HG3 GLU A 94 5.741 4.279 -36.106 1.00 1.44 H new ATOM 1483 N GLY A 95 2.161 0.631 -33.702 1.00 22.12 N ATOM 1484 CA GLY A 95 1.106 -0.266 -34.137 1.00 44.32 C ATOM 1485 C GLY A 95 0.809 -1.348 -33.119 1.00 34.31 C ATOM 1486 O GLY A 95 -0.310 -1.856 -33.052 1.00 14.22 O ATOM 0 H GLY A 95 2.438 0.525 -32.726 1.00 22.12 H new ATOM 0 HA2 GLY A 95 0.200 0.309 -34.326 1.00 44.32 H new ATOM 0 HA3 GLY A 95 1.393 -0.729 -35.081 1.00 44.32 H new ATOM 1490 N ALA A 96 1.813 -1.704 -32.325 1.00 22.11 N ATOM 1491 CA ALA A 96 1.653 -2.733 -31.305 1.00 63.21 C ATOM 1492 C ALA A 96 2.005 -2.195 -29.922 1.00 61.13 C ATOM 1493 O ALA A 96 2.927 -2.686 -29.270 1.00 72.43 O ATOM 1494 CB ALA A 96 2.514 -3.943 -31.637 1.00 74.51 C ATOM 0 H ALA A 96 2.746 -1.295 -32.368 1.00 22.11 H new ATOM 0 HA ALA A 96 0.606 -3.037 -31.292 1.00 63.21 H new ATOM 0 HB1 ALA A 96 2.385 -4.704 -30.867 1.00 74.51 H new ATOM 0 HB2 ALA A 96 2.213 -4.349 -32.603 1.00 74.51 H new ATOM 0 HB3 ALA A 96 3.561 -3.644 -31.679 1.00 74.51 H new ATOM 1500 N TYR A 97 1.266 -1.183 -29.481 1.00 22.41 N ATOM 1501 CA TYR A 97 1.502 -0.576 -28.176 1.00 64.54 C ATOM 1502 C TYR A 97 1.536 -1.637 -27.080 1.00 62.12 C ATOM 1503 O TYR A 97 2.212 -1.475 -26.065 1.00 0.23 O ATOM 1504 CB TYR A 97 0.418 0.458 -27.868 1.00 24.42 C ATOM 1505 CG TYR A 97 -0.979 -0.120 -27.837 1.00 65.24 C ATOM 1506 CD1 TYR A 97 -1.737 -0.216 -28.998 1.00 20.13 C ATOM 1507 CD2 TYR A 97 -1.540 -0.569 -26.649 1.00 33.13 C ATOM 1508 CE1 TYR A 97 -3.014 -0.743 -28.975 1.00 10.42 C ATOM 1509 CE2 TYR A 97 -2.816 -1.098 -26.617 1.00 21.34 C ATOM 1510 CZ TYR A 97 -3.549 -1.183 -27.782 1.00 42.20 C ATOM 1511 OH TYR A 97 -4.820 -1.708 -27.754 1.00 74.10 O ATOM 0 H TYR A 97 0.499 -0.766 -30.008 1.00 22.41 H new ATOM 0 HA TYR A 97 2.471 -0.078 -28.204 1.00 64.54 H new ATOM 0 HB2 TYR A 97 0.632 0.921 -26.905 1.00 24.42 H new ATOM 0 HB3 TYR A 97 0.458 1.249 -28.617 1.00 24.42 H new ATOM 0 HD1 TYR A 97 -1.321 0.127 -29.934 1.00 20.13 H new ATOM 0 HD2 TYR A 97 -0.969 -0.504 -25.734 1.00 33.13 H new ATOM 0 HE1 TYR A 97 -3.590 -0.810 -29.886 1.00 10.42 H new ATOM 0 HE2 TYR A 97 -3.237 -1.443 -25.684 1.00 21.34 H new ATOM 0 HH TYR A 97 -5.045 -1.971 -26.837 1.00 74.10 H new ATOM 1521 N ALA A 98 0.802 -2.724 -27.295 1.00 13.34 N ATOM 1522 CA ALA A 98 0.749 -3.813 -26.327 1.00 53.04 C ATOM 1523 C ALA A 98 2.147 -4.323 -25.998 1.00 5.24 C ATOM 1524 O ALA A 98 2.388 -4.842 -24.908 1.00 22.14 O ATOM 1525 CB ALA A 98 -0.117 -4.947 -26.856 1.00 53.33 C ATOM 0 H ALA A 98 0.236 -2.874 -28.130 1.00 13.34 H new ATOM 0 HA ALA A 98 0.305 -3.429 -25.409 1.00 53.04 H new ATOM 0 HB1 ALA A 98 -0.148 -5.753 -26.123 1.00 53.33 H new ATOM 0 HB2 ALA A 98 -1.128 -4.580 -27.035 1.00 53.33 H new ATOM 0 HB3 ALA A 98 0.303 -5.321 -27.790 1.00 53.33 H new ATOM 1531 N ASP A 99 3.066 -4.172 -26.946 1.00 13.04 N ATOM 1532 CA ASP A 99 4.441 -4.617 -26.755 1.00 64.13 C ATOM 1533 C ASP A 99 5.117 -3.832 -25.635 1.00 53.55 C ATOM 1534 O ASP A 99 5.892 -4.385 -24.856 1.00 14.22 O ATOM 1535 CB ASP A 99 5.234 -4.462 -28.054 1.00 23.11 C ATOM 1536 CG ASP A 99 4.692 -5.332 -29.171 1.00 22.33 C ATOM 1537 OD1 ASP A 99 3.807 -6.168 -28.894 1.00 60.43 O ATOM 1538 OD2 ASP A 99 5.154 -5.178 -30.321 1.00 53.10 O ATOM 0 H ASP A 99 2.883 -3.745 -27.854 1.00 13.04 H new ATOM 0 HA ASP A 99 4.420 -5.670 -26.474 1.00 64.13 H new ATOM 0 HB2 ASP A 99 5.212 -3.418 -28.367 1.00 23.11 H new ATOM 0 HB3 ASP A 99 6.278 -4.718 -27.872 1.00 23.11 H new ATOM 1543 N ALA A 100 4.818 -2.539 -25.563 1.00 51.41 N ATOM 1544 CA ALA A 100 5.395 -1.677 -24.539 1.00 22.33 C ATOM 1545 C ALA A 100 4.660 -1.834 -23.212 1.00 0.42 C ATOM 1546 O ALA A 100 5.215 -1.561 -22.148 1.00 41.30 O ATOM 1547 CB ALA A 100 5.367 -0.225 -24.992 1.00 75.33 C ATOM 0 H ALA A 100 4.179 -2.065 -26.202 1.00 51.41 H new ATOM 0 HA ALA A 100 6.432 -1.978 -24.388 1.00 22.33 H new ATOM 0 HB1 ALA A 100 5.801 0.406 -24.217 1.00 75.33 H new ATOM 0 HB2 ALA A 100 5.943 -0.119 -25.911 1.00 75.33 H new ATOM 0 HB3 ALA A 100 4.336 0.080 -25.173 1.00 75.33 H new ATOM 1553 N ALA A 101 3.408 -2.274 -23.283 1.00 0.33 N ATOM 1554 CA ALA A 101 2.598 -2.467 -22.087 1.00 34.43 C ATOM 1555 C ALA A 101 3.104 -3.648 -21.265 1.00 63.14 C ATOM 1556 O ALA A 101 2.991 -3.658 -20.040 1.00 14.04 O ATOM 1557 CB ALA A 101 1.138 -2.673 -22.466 1.00 24.04 C ATOM 0 H ALA A 101 2.933 -2.503 -24.156 1.00 0.33 H new ATOM 0 HA ALA A 101 2.681 -1.569 -21.474 1.00 34.43 H new ATOM 0 HB1 ALA A 101 0.544 -2.816 -21.563 1.00 24.04 H new ATOM 0 HB2 ALA A 101 0.775 -1.798 -23.004 1.00 24.04 H new ATOM 0 HB3 ALA A 101 1.048 -3.553 -23.102 1.00 24.04 H new ATOM 1563 N ARG A 102 3.663 -4.642 -21.949 1.00 11.24 N ATOM 1564 CA ARG A 102 4.185 -5.828 -21.282 1.00 22.43 C ATOM 1565 C ARG A 102 5.310 -5.460 -20.319 1.00 20.13 C ATOM 1566 O ARG A 102 5.284 -5.832 -19.145 1.00 3.42 O ATOM 1567 CB ARG A 102 4.693 -6.838 -22.313 1.00 54.44 C ATOM 1568 CG ARG A 102 4.467 -8.286 -21.911 1.00 5.24 C ATOM 1569 CD ARG A 102 2.987 -8.632 -21.881 1.00 61.23 C ATOM 1570 NE ARG A 102 2.663 -9.558 -20.799 1.00 51.13 N ATOM 1571 CZ ARG A 102 1.427 -9.956 -20.518 1.00 1.20 C ATOM 1572 NH1 ARG A 102 0.405 -9.511 -21.236 1.00 34.54 N ATOM 1573 NH2 ARG A 102 1.212 -10.800 -19.517 1.00 63.44 N ATOM 0 H ARG A 102 3.766 -4.649 -22.964 1.00 11.24 H new ATOM 0 HA ARG A 102 3.373 -6.279 -20.711 1.00 22.43 H new ATOM 0 HB2 ARG A 102 4.197 -6.653 -23.266 1.00 54.44 H new ATOM 0 HB3 ARG A 102 5.759 -6.676 -22.472 1.00 54.44 H new ATOM 0 HG2 ARG A 102 4.981 -8.944 -22.612 1.00 5.24 H new ATOM 0 HG3 ARG A 102 4.903 -8.464 -20.928 1.00 5.24 H new ATOM 0 HD2 ARG A 102 2.404 -7.719 -21.763 1.00 61.23 H new ATOM 0 HD3 ARG A 102 2.699 -9.074 -22.835 1.00 61.23 H new ATOM 0 HE ARG A 102 3.427 -9.919 -20.228 1.00 51.13 H new ATOM 0 HH11 ARG A 102 0.567 -8.862 -22.006 1.00 34.54 H new ATOM 0 HH12 ARG A 102 -0.543 -9.818 -21.018 1.00 34.54 H new ATOM 0 HH21 ARG A 102 1.996 -11.144 -18.962 1.00 63.44 H new ATOM 0 HH22 ARG A 102 0.263 -11.105 -19.302 1.00 63.44 H new ATOM 1587 N THR A 103 6.298 -4.727 -20.823 1.00 60.42 N ATOM 1588 CA THR A 103 7.433 -4.310 -20.009 1.00 73.23 C ATOM 1589 C THR A 103 6.993 -3.368 -18.895 1.00 10.13 C ATOM 1590 O THR A 103 7.592 -3.340 -17.819 1.00 71.03 O ATOM 1591 CB THR A 103 8.509 -3.612 -20.862 1.00 11.32 C ATOM 1592 OG1 THR A 103 9.597 -3.194 -20.031 1.00 25.05 O ATOM 1593 CG2 THR A 103 7.927 -2.408 -21.587 1.00 43.23 C ATOM 0 H THR A 103 6.335 -4.410 -21.792 1.00 60.42 H new ATOM 0 HA THR A 103 7.857 -5.213 -19.571 1.00 73.23 H new ATOM 0 HB THR A 103 8.871 -4.323 -21.604 1.00 11.32 H new ATOM 0 HG1 THR A 103 10.278 -2.753 -20.581 1.00 25.05 H new ATOM 0 HG21 THR A 103 8.705 -1.931 -22.183 1.00 43.23 H new ATOM 0 HG22 THR A 103 7.117 -2.733 -22.240 1.00 43.23 H new ATOM 0 HG23 THR A 103 7.541 -1.696 -20.858 1.00 43.23 H new ATOM 1601 N PHE A 104 5.943 -2.597 -19.158 1.00 33.34 N ATOM 1602 CA PHE A 104 5.423 -1.653 -18.176 1.00 14.22 C ATOM 1603 C PHE A 104 4.901 -2.383 -16.942 1.00 24.15 C ATOM 1604 O PHE A 104 5.288 -2.073 -15.815 1.00 41.03 O ATOM 1605 CB PHE A 104 4.306 -0.808 -18.792 1.00 12.53 C ATOM 1606 CG PHE A 104 3.613 0.084 -17.801 1.00 73.31 C ATOM 1607 CD1 PHE A 104 2.537 -0.383 -17.063 1.00 24.42 C ATOM 1608 CD2 PHE A 104 4.036 1.389 -17.609 1.00 24.25 C ATOM 1609 CE1 PHE A 104 1.898 0.434 -16.150 1.00 75.01 C ATOM 1610 CE2 PHE A 104 3.401 2.211 -16.697 1.00 72.40 C ATOM 1611 CZ PHE A 104 2.329 1.733 -15.968 1.00 4.12 C ATOM 0 H PHE A 104 5.436 -2.607 -20.043 1.00 33.34 H new ATOM 0 HA PHE A 104 6.239 -0.998 -17.871 1.00 14.22 H new ATOM 0 HB2 PHE A 104 4.723 -0.195 -19.591 1.00 12.53 H new ATOM 0 HB3 PHE A 104 3.571 -1.470 -19.249 1.00 12.53 H new ATOM 0 HD1 PHE A 104 2.194 -1.397 -17.203 1.00 24.42 H new ATOM 0 HD2 PHE A 104 4.872 1.769 -18.178 1.00 24.25 H new ATOM 0 HE1 PHE A 104 1.062 0.057 -15.579 1.00 75.01 H new ATOM 0 HE2 PHE A 104 3.742 3.226 -16.554 1.00 72.40 H new ATOM 0 HZ PHE A 104 1.829 2.374 -15.257 1.00 4.12 H new ATOM 1621 N GLU A 105 4.021 -3.354 -17.164 1.00 31.14 N ATOM 1622 CA GLU A 105 3.446 -4.127 -16.069 1.00 75.44 C ATOM 1623 C GLU A 105 4.541 -4.739 -15.200 1.00 52.34 C ATOM 1624 O GLU A 105 4.453 -4.729 -13.972 1.00 44.43 O ATOM 1625 CB GLU A 105 2.538 -5.231 -16.617 1.00 65.24 C ATOM 1626 CG GLU A 105 1.151 -4.745 -17.000 1.00 13.33 C ATOM 1627 CD GLU A 105 0.319 -4.347 -15.795 1.00 65.53 C ATOM 1628 OE1 GLU A 105 -0.365 -5.227 -15.232 1.00 14.12 O ATOM 1629 OE2 GLU A 105 0.353 -3.158 -15.416 1.00 63.25 O ATOM 0 H GLU A 105 3.691 -3.624 -18.091 1.00 31.14 H new ATOM 0 HA GLU A 105 2.854 -3.451 -15.453 1.00 75.44 H new ATOM 0 HB2 GLU A 105 3.011 -5.678 -17.491 1.00 65.24 H new ATOM 0 HB3 GLU A 105 2.444 -6.017 -15.868 1.00 65.24 H new ATOM 0 HG2 GLU A 105 1.242 -3.892 -17.672 1.00 13.33 H new ATOM 0 HG3 GLU A 105 0.634 -5.531 -17.551 1.00 13.33 H new ATOM 1636 N LYS A 106 5.572 -5.271 -15.847 1.00 23.42 N ATOM 1637 CA LYS A 106 6.686 -5.887 -15.135 1.00 62.35 C ATOM 1638 C LYS A 106 7.297 -4.913 -14.133 1.00 70.12 C ATOM 1639 O LYS A 106 7.597 -5.282 -12.998 1.00 25.23 O ATOM 1640 CB LYS A 106 7.755 -6.354 -16.126 1.00 44.41 C ATOM 1641 CG LYS A 106 8.551 -7.554 -15.643 1.00 15.15 C ATOM 1642 CD LYS A 106 7.975 -8.855 -16.175 1.00 72.41 C ATOM 1643 CE LYS A 106 8.357 -9.080 -17.630 1.00 40.11 C ATOM 1644 NZ LYS A 106 9.309 -10.215 -17.785 1.00 13.32 N ATOM 0 H LYS A 106 5.660 -5.288 -16.863 1.00 23.42 H new ATOM 0 HA LYS A 106 6.304 -6.749 -14.589 1.00 62.35 H new ATOM 0 HB2 LYS A 106 7.276 -6.604 -17.073 1.00 44.41 H new ATOM 0 HB3 LYS A 106 8.440 -5.530 -16.323 1.00 44.41 H new ATOM 0 HG2 LYS A 106 9.588 -7.456 -15.963 1.00 15.15 H new ATOM 0 HG3 LYS A 106 8.554 -7.575 -14.553 1.00 15.15 H new ATOM 0 HD2 LYS A 106 8.335 -9.688 -15.570 1.00 72.41 H new ATOM 0 HD3 LYS A 106 6.889 -8.839 -16.081 1.00 72.41 H new ATOM 0 HE2 LYS A 106 7.459 -9.277 -18.215 1.00 40.11 H new ATOM 0 HE3 LYS A 106 8.806 -8.172 -18.032 1.00 40.11 H new ATOM 0 HZ1 LYS A 106 9.544 -10.336 -18.791 1.00 13.32 H new ATOM 0 HZ2 LYS A 106 10.177 -10.016 -17.248 1.00 13.32 H new ATOM 0 HZ3 LYS A 106 8.871 -11.087 -17.425 1.00 13.32 H new ATOM 1658 N PHE A 107 7.477 -3.667 -14.560 1.00 32.51 N ATOM 1659 CA PHE A 107 8.051 -2.640 -13.699 1.00 43.02 C ATOM 1660 C PHE A 107 7.252 -2.504 -12.406 1.00 61.24 C ATOM 1661 O PHE A 107 7.816 -2.508 -11.313 1.00 12.44 O ATOM 1662 CB PHE A 107 8.092 -1.296 -14.430 1.00 70.54 C ATOM 1663 CG PHE A 107 9.441 -0.965 -15.001 1.00 23.12 C ATOM 1664 CD1 PHE A 107 9.912 -1.621 -16.127 1.00 51.42 C ATOM 1665 CD2 PHE A 107 10.239 0.002 -14.411 1.00 51.20 C ATOM 1666 CE1 PHE A 107 11.154 -1.318 -16.653 1.00 75.15 C ATOM 1667 CE2 PHE A 107 11.481 0.309 -14.933 1.00 44.41 C ATOM 1668 CZ PHE A 107 11.939 -0.351 -16.057 1.00 33.15 C ATOM 0 H PHE A 107 7.234 -3.345 -15.497 1.00 32.51 H new ATOM 0 HA PHE A 107 9.068 -2.940 -13.447 1.00 43.02 H new ATOM 0 HB2 PHE A 107 7.358 -1.307 -15.236 1.00 70.54 H new ATOM 0 HB3 PHE A 107 7.795 -0.507 -13.739 1.00 70.54 H new ATOM 0 HD1 PHE A 107 9.302 -2.377 -16.599 1.00 51.42 H new ATOM 0 HD2 PHE A 107 9.886 0.522 -13.533 1.00 51.20 H new ATOM 0 HE1 PHE A 107 11.510 -1.838 -17.530 1.00 75.15 H new ATOM 0 HE2 PHE A 107 12.093 1.064 -14.463 1.00 44.41 H new ATOM 0 HZ PHE A 107 12.908 -0.111 -16.468 1.00 33.15 H new ATOM 1678 N ALA A 108 5.935 -2.384 -12.542 1.00 25.14 N ATOM 1679 CA ALA A 108 5.058 -2.249 -11.386 1.00 1.55 C ATOM 1680 C ALA A 108 5.226 -3.423 -10.428 1.00 62.40 C ATOM 1681 O ALA A 108 5.239 -3.247 -9.210 1.00 51.42 O ATOM 1682 CB ALA A 108 3.609 -2.134 -11.834 1.00 14.44 C ATOM 0 H ALA A 108 5.453 -2.378 -13.441 1.00 25.14 H new ATOM 0 HA ALA A 108 5.336 -1.339 -10.855 1.00 1.55 H new ATOM 0 HB1 ALA A 108 2.965 -2.034 -10.960 1.00 14.44 H new ATOM 0 HB2 ALA A 108 3.494 -1.258 -12.472 1.00 14.44 H new ATOM 0 HB3 ALA A 108 3.328 -3.028 -12.391 1.00 14.44 H new ATOM 1688 N MET A 109 5.354 -4.622 -10.987 1.00 20.53 N ATOM 1689 CA MET A 109 5.522 -5.826 -10.181 1.00 72.51 C ATOM 1690 C MET A 109 6.773 -5.730 -9.314 1.00 32.33 C ATOM 1691 O MET A 109 6.739 -6.038 -8.123 1.00 64.11 O ATOM 1692 CB MET A 109 5.605 -7.061 -11.081 1.00 52.33 C ATOM 1693 CG MET A 109 5.389 -8.370 -10.339 1.00 52.34 C ATOM 1694 SD MET A 109 6.341 -9.731 -11.040 1.00 43.23 S ATOM 1695 CE MET A 109 6.374 -10.869 -9.657 1.00 50.44 C ATOM 0 H MET A 109 5.345 -4.786 -11.994 1.00 20.53 H new ATOM 0 HA MET A 109 4.655 -5.919 -9.527 1.00 72.51 H new ATOM 0 HB2 MET A 109 4.860 -6.974 -11.872 1.00 52.33 H new ATOM 0 HB3 MET A 109 6.582 -7.084 -11.564 1.00 52.33 H new ATOM 0 HG2 MET A 109 5.665 -8.240 -9.293 1.00 52.34 H new ATOM 0 HG3 MET A 109 4.329 -8.624 -10.360 1.00 52.34 H new ATOM 0 HE1 MET A 109 6.930 -11.764 -9.936 1.00 50.44 H new ATOM 0 HE2 MET A 109 6.858 -10.392 -8.805 1.00 50.44 H new ATOM 0 HE3 MET A 109 5.354 -11.144 -9.388 1.00 50.44 H new ATOM 1705 N GLY A 110 7.876 -5.301 -9.919 1.00 61.22 N ATOM 1706 CA GLY A 110 9.122 -5.173 -9.187 1.00 3.14 C ATOM 1707 C GLY A 110 8.988 -4.287 -7.964 1.00 54.32 C ATOM 1708 O GLY A 110 9.503 -4.610 -6.894 1.00 11.43 O ATOM 0 H GLY A 110 7.929 -5.040 -10.904 1.00 61.22 H new ATOM 0 HA2 GLY A 110 9.463 -6.162 -8.880 1.00 3.14 H new ATOM 0 HA3 GLY A 110 9.887 -4.763 -9.847 1.00 3.14 H new ATOM 1712 N LYS A 111 8.294 -3.164 -8.123 1.00 22.44 N ATOM 1713 CA LYS A 111 8.093 -2.227 -7.024 1.00 31.31 C ATOM 1714 C LYS A 111 7.431 -2.917 -5.835 1.00 54.42 C ATOM 1715 O LYS A 111 7.843 -2.731 -4.690 1.00 31.12 O ATOM 1716 CB LYS A 111 7.236 -1.046 -7.484 1.00 72.04 C ATOM 1717 CG LYS A 111 7.236 0.121 -6.512 1.00 52.02 C ATOM 1718 CD LYS A 111 6.116 1.102 -6.818 1.00 63.23 C ATOM 1719 CE LYS A 111 4.764 0.558 -6.382 1.00 4.20 C ATOM 1720 NZ LYS A 111 4.625 0.543 -4.899 1.00 51.14 N ATOM 0 H LYS A 111 7.862 -2.881 -9.002 1.00 22.44 H new ATOM 0 HA LYS A 111 9.070 -1.859 -6.710 1.00 31.31 H new ATOM 0 HB2 LYS A 111 7.598 -0.701 -8.453 1.00 72.04 H new ATOM 0 HB3 LYS A 111 6.211 -1.387 -7.629 1.00 72.04 H new ATOM 0 HG2 LYS A 111 7.126 -0.252 -5.494 1.00 52.02 H new ATOM 0 HG3 LYS A 111 8.195 0.636 -6.561 1.00 52.02 H new ATOM 0 HD2 LYS A 111 6.310 2.047 -6.311 1.00 63.23 H new ATOM 0 HD3 LYS A 111 6.097 1.312 -7.887 1.00 63.23 H new ATOM 0 HE2 LYS A 111 3.971 1.167 -6.815 1.00 4.20 H new ATOM 0 HE3 LYS A 111 4.637 -0.453 -6.769 1.00 4.20 H new ATOM 0 HZ1 LYS A 111 3.691 0.166 -4.642 1.00 51.14 H new ATOM 0 HZ2 LYS A 111 5.367 -0.058 -4.487 1.00 51.14 H new ATOM 0 HZ3 LYS A 111 4.721 1.511 -4.532 1.00 51.14 H new ATOM 1734 N ILE A 112 6.404 -3.713 -6.115 1.00 43.43 N ATOM 1735 CA ILE A 112 5.688 -4.431 -5.069 1.00 33.21 C ATOM 1736 C ILE A 112 6.631 -5.325 -4.271 1.00 71.44 C ATOM 1737 O ILE A 112 6.520 -5.428 -3.050 1.00 21.54 O ATOM 1738 CB ILE A 112 4.553 -5.293 -5.654 1.00 21.04 C ATOM 1739 CG1 ILE A 112 3.588 -4.424 -6.462 1.00 15.23 C ATOM 1740 CG2 ILE A 112 3.814 -6.021 -4.541 1.00 21.31 C ATOM 1741 CD1 ILE A 112 2.652 -5.220 -7.345 1.00 2.05 C ATOM 0 H ILE A 112 6.050 -3.876 -7.057 1.00 43.43 H new ATOM 0 HA ILE A 112 5.258 -3.679 -4.407 1.00 33.21 H new ATOM 0 HB ILE A 112 4.988 -6.037 -6.322 1.00 21.04 H new ATOM 0 HG12 ILE A 112 2.998 -3.816 -5.776 1.00 15.23 H new ATOM 0 HG13 ILE A 112 4.163 -3.737 -7.083 1.00 15.23 H new ATOM 0 HG21 ILE A 112 3.015 -6.626 -4.970 1.00 21.31 H new ATOM 0 HG22 ILE A 112 4.509 -6.666 -4.004 1.00 21.31 H new ATOM 0 HG23 ILE A 112 3.387 -5.293 -3.851 1.00 21.31 H new ATOM 0 HD11 ILE A 112 1.997 -4.539 -7.888 1.00 2.05 H new ATOM 0 HD12 ILE A 112 3.234 -5.808 -8.055 1.00 2.05 H new ATOM 0 HD13 ILE A 112 2.050 -5.888 -6.729 1.00 2.05 H new ATOM 1753 N ASP A 113 7.559 -5.969 -4.970 1.00 45.33 N ATOM 1754 CA ASP A 113 8.525 -6.852 -4.327 1.00 60.54 C ATOM 1755 C ASP A 113 9.372 -6.087 -3.315 1.00 70.42 C ATOM 1756 O ASP A 113 9.532 -6.518 -2.173 1.00 55.34 O ATOM 1757 CB ASP A 113 9.427 -7.506 -5.375 1.00 60.15 C ATOM 1758 CG ASP A 113 8.768 -8.696 -6.045 1.00 64.20 C ATOM 1759 OD1 ASP A 113 7.527 -8.808 -5.969 1.00 32.45 O ATOM 1760 OD2 ASP A 113 9.494 -9.515 -6.646 1.00 45.13 O ATOM 0 H ASP A 113 7.663 -5.896 -5.982 1.00 45.33 H new ATOM 0 HA ASP A 113 7.973 -7.629 -3.798 1.00 60.54 H new ATOM 0 HB2 ASP A 113 9.694 -6.768 -6.132 1.00 60.15 H new ATOM 0 HB3 ASP A 113 10.355 -7.827 -4.902 1.00 60.15 H new ATOM 1765 N ALA A 114 9.913 -4.952 -3.743 1.00 5.53 N ATOM 1766 CA ALA A 114 10.743 -4.126 -2.874 1.00 22.33 C ATOM 1767 C ALA A 114 9.912 -3.486 -1.767 1.00 50.23 C ATOM 1768 O ALA A 114 10.394 -3.285 -0.652 1.00 61.33 O ATOM 1769 CB ALA A 114 11.458 -3.057 -3.686 1.00 54.44 C ATOM 0 H ALA A 114 9.792 -4.583 -4.686 1.00 5.53 H new ATOM 0 HA ALA A 114 11.488 -4.770 -2.407 1.00 22.33 H new ATOM 0 HB1 ALA A 114 12.074 -2.448 -3.024 1.00 54.44 H new ATOM 0 HB2 ALA A 114 12.091 -3.532 -4.435 1.00 54.44 H new ATOM 0 HB3 ALA A 114 10.722 -2.424 -4.181 1.00 54.44 H new ATOM 1775 N TYR A 115 8.662 -3.166 -2.083 1.00 31.32 N ATOM 1776 CA TYR A 115 7.764 -2.545 -1.116 1.00 25.31 C ATOM 1777 C TYR A 115 7.726 -3.344 0.183 1.00 24.04 C ATOM 1778 O TYR A 115 7.910 -2.793 1.269 1.00 24.12 O ATOM 1779 CB TYR A 115 6.355 -2.430 -1.698 1.00 13.31 C ATOM 1780 CG TYR A 115 5.316 -2.000 -0.687 1.00 54.01 C ATOM 1781 CD1 TYR A 115 5.584 -0.988 0.227 1.00 52.04 C ATOM 1782 CD2 TYR A 115 4.066 -2.606 -0.645 1.00 22.32 C ATOM 1783 CE1 TYR A 115 4.638 -0.592 1.152 1.00 31.45 C ATOM 1784 CE2 TYR A 115 3.114 -2.216 0.276 1.00 32.25 C ATOM 1785 CZ TYR A 115 3.404 -1.209 1.173 1.00 23.11 C ATOM 1786 OH TYR A 115 2.459 -0.819 2.093 1.00 13.44 O ATOM 0 H TYR A 115 8.247 -3.326 -3.001 1.00 31.32 H new ATOM 0 HA TYR A 115 8.142 -1.546 -0.896 1.00 25.31 H new ATOM 0 HB2 TYR A 115 6.368 -1.715 -2.520 1.00 13.31 H new ATOM 0 HB3 TYR A 115 6.065 -3.393 -2.118 1.00 13.31 H new ATOM 0 HD1 TYR A 115 6.549 -0.503 0.214 1.00 52.04 H new ATOM 0 HD2 TYR A 115 3.835 -3.396 -1.345 1.00 22.32 H new ATOM 0 HE1 TYR A 115 4.863 0.196 1.855 1.00 31.45 H new ATOM 0 HE2 TYR A 115 2.147 -2.697 0.294 1.00 32.25 H new ATOM 0 HH TYR A 115 2.737 -1.104 2.989 1.00 13.44 H new ATOM 1796 N ILE A 116 7.487 -4.645 0.063 1.00 21.52 N ATOM 1797 CA ILE A 116 7.427 -5.521 1.227 1.00 74.22 C ATOM 1798 C ILE A 116 8.803 -5.688 1.861 1.00 21.14 C ATOM 1799 O ILE A 116 8.928 -5.776 3.083 1.00 64.22 O ATOM 1800 CB ILE A 116 6.872 -6.910 0.858 1.00 11.11 C ATOM 1801 CG1 ILE A 116 5.521 -6.773 0.152 1.00 4.32 C ATOM 1802 CG2 ILE A 116 6.740 -7.775 2.103 1.00 52.14 C ATOM 1803 CD1 ILE A 116 4.976 -8.084 -0.368 1.00 53.02 C ATOM 0 H ILE A 116 7.332 -5.116 -0.828 1.00 21.52 H new ATOM 0 HA ILE A 116 6.755 -5.048 1.943 1.00 74.22 H new ATOM 0 HB ILE A 116 7.570 -7.394 0.175 1.00 11.11 H new ATOM 0 HG12 ILE A 116 4.800 -6.338 0.845 1.00 4.32 H new ATOM 0 HG13 ILE A 116 5.624 -6.076 -0.680 1.00 4.32 H new ATOM 0 HG21 ILE A 116 6.347 -8.753 1.826 1.00 52.14 H new ATOM 0 HG22 ILE A 116 7.719 -7.896 2.568 1.00 52.14 H new ATOM 0 HG23 ILE A 116 6.060 -7.297 2.808 1.00 52.14 H new ATOM 0 HD11 ILE A 116 4.017 -7.911 -0.856 1.00 53.02 H new ATOM 0 HD12 ILE A 116 5.677 -8.510 -1.086 1.00 53.02 H new ATOM 0 HD13 ILE A 116 4.841 -8.777 0.463 1.00 53.02 H new ATOM 1815 N SER A 117 9.834 -5.729 1.023 1.00 20.04 N ATOM 1816 CA SER A 117 11.202 -5.887 1.502 1.00 64.21 C ATOM 1817 C SER A 117 11.567 -4.776 2.482 1.00 41.03 C ATOM 1818 O SER A 117 12.462 -4.935 3.311 1.00 31.33 O ATOM 1819 CB SER A 117 12.180 -5.886 0.325 1.00 20.21 C ATOM 1820 OG SER A 117 12.188 -7.142 -0.332 1.00 5.31 O ATOM 0 H SER A 117 9.748 -5.655 0.009 1.00 20.04 H new ATOM 0 HA SER A 117 11.270 -6.843 2.022 1.00 64.21 H new ATOM 0 HB2 SER A 117 11.903 -5.104 -0.382 1.00 20.21 H new ATOM 0 HB3 SER A 117 13.183 -5.652 0.682 1.00 20.21 H new ATOM 0 HG SER A 117 11.450 -7.179 -0.975 1.00 5.31 H new ATOM 1826 N GLN A 118 10.867 -3.651 2.378 1.00 32.01 N ATOM 1827 CA GLN A 118 11.117 -2.513 3.254 1.00 1.42 C ATOM 1828 C GLN A 118 9.857 -2.131 4.024 1.00 51.54 C ATOM 1829 O GLN A 118 9.321 -1.035 3.854 1.00 2.02 O ATOM 1830 CB GLN A 118 11.615 -1.316 2.441 1.00 21.43 C ATOM 1831 CG GLN A 118 10.679 -0.915 1.313 1.00 73.31 C ATOM 1832 CD GLN A 118 11.421 -0.490 0.062 1.00 43.23 C ATOM 1833 OE1 GLN A 118 11.188 0.594 -0.474 1.00 72.25 O ATOM 1834 NE2 GLN A 118 12.323 -1.343 -0.411 1.00 13.30 N ATOM 0 H GLN A 118 10.123 -3.503 1.696 1.00 32.01 H new ATOM 0 HA GLN A 118 11.885 -2.801 3.971 1.00 1.42 H new ATOM 0 HB2 GLN A 118 11.751 -0.465 3.109 1.00 21.43 H new ATOM 0 HB3 GLN A 118 12.593 -1.553 2.023 1.00 21.43 H new ATOM 0 HG2 GLN A 118 10.023 -1.753 1.075 1.00 73.31 H new ATOM 0 HG3 GLN A 118 10.042 -0.097 1.648 1.00 73.31 H new ATOM 0 HE21 GLN A 118 12.484 -2.231 0.065 1.00 13.30 H new ATOM 0 HE22 GLN A 118 12.854 -1.110 -1.250 1.00 13.30 H new ATOM 1843 N LYS A 119 9.387 -3.041 4.870 1.00 64.03 N ATOM 1844 CA LYS A 119 8.190 -2.800 5.667 1.00 64.33 C ATOM 1845 C LYS A 119 8.556 -2.306 7.062 1.00 4.35 C ATOM 1846 O LYS A 119 7.736 -1.700 7.752 1.00 21.24 O ATOM 1847 CB LYS A 119 7.356 -4.079 5.770 1.00 53.12 C ATOM 1848 CG LYS A 119 6.023 -3.880 6.470 1.00 32.35 C ATOM 1849 CD LYS A 119 5.333 -5.206 6.743 1.00 71.53 C ATOM 1850 CE LYS A 119 4.913 -5.327 8.199 1.00 35.35 C ATOM 1851 NZ LYS A 119 4.613 -6.737 8.575 1.00 15.21 N ATOM 0 H LYS A 119 9.817 -3.953 5.022 1.00 64.03 H new ATOM 0 HA LYS A 119 7.602 -2.028 5.170 1.00 64.33 H new ATOM 0 HB2 LYS A 119 7.176 -4.467 4.768 1.00 53.12 H new ATOM 0 HB3 LYS A 119 7.930 -4.835 6.307 1.00 53.12 H new ATOM 0 HG2 LYS A 119 6.180 -3.350 7.410 1.00 32.35 H new ATOM 0 HG3 LYS A 119 5.378 -3.253 5.855 1.00 32.35 H new ATOM 0 HD2 LYS A 119 4.457 -5.300 6.102 1.00 71.53 H new ATOM 0 HD3 LYS A 119 6.004 -6.026 6.488 1.00 71.53 H new ATOM 0 HE2 LYS A 119 5.707 -4.942 8.839 1.00 35.35 H new ATOM 0 HE3 LYS A 119 4.033 -4.709 8.376 1.00 35.35 H new ATOM 0 HZ1 LYS A 119 4.330 -6.777 9.575 1.00 15.21 H new ATOM 0 HZ2 LYS A 119 3.838 -7.097 7.982 1.00 15.21 H new ATOM 0 HZ3 LYS A 119 5.460 -7.322 8.431 1.00 15.21 H new ATOM 1865 N VAL A 120 9.794 -2.566 7.472 1.00 31.42 N ATOM 1866 CA VAL A 120 10.269 -2.145 8.785 1.00 62.34 C ATOM 1867 C VAL A 120 10.940 -0.778 8.713 1.00 24.35 C ATOM 1868 O VAL A 120 10.804 0.040 9.622 1.00 53.12 O ATOM 1869 CB VAL A 120 11.264 -3.163 9.375 1.00 75.15 C ATOM 1870 CG1 VAL A 120 11.212 -3.141 10.895 1.00 74.14 C ATOM 1871 CG2 VAL A 120 10.975 -4.559 8.843 1.00 13.11 C ATOM 0 H VAL A 120 10.486 -3.066 6.914 1.00 31.42 H new ATOM 0 HA VAL A 120 9.395 -2.085 9.434 1.00 62.34 H new ATOM 0 HB VAL A 120 12.271 -2.882 9.066 1.00 75.15 H new ATOM 0 HG11 VAL A 120 11.921 -3.866 11.294 1.00 74.14 H new ATOM 0 HG12 VAL A 120 11.471 -2.145 11.254 1.00 74.14 H new ATOM 0 HG13 VAL A 120 10.206 -3.396 11.228 1.00 74.14 H new ATOM 0 HG21 VAL A 120 11.687 -5.266 9.270 1.00 13.11 H new ATOM 0 HG22 VAL A 120 9.962 -4.852 9.121 1.00 13.11 H new ATOM 0 HG23 VAL A 120 11.068 -4.561 7.757 1.00 13.11 H new ATOM 1881 N GLY A 121 11.667 -0.537 7.626 1.00 32.41 N ATOM 1882 CA GLY A 121 12.349 0.732 7.456 1.00 54.33 C ATOM 1883 C GLY A 121 11.440 1.918 7.716 1.00 62.44 C ATOM 1884 O GLY A 121 11.895 2.971 8.159 1.00 53.42 O ATOM 0 H GLY A 121 11.796 -1.198 6.860 1.00 32.41 H new ATOM 0 HA2 GLY A 121 13.202 0.776 8.133 1.00 54.33 H new ATOM 0 HA3 GLY A 121 12.744 0.796 6.442 1.00 54.33 H new ATOM 1888 N GLY A 122 10.151 1.746 7.437 1.00 23.05 N ATOM 1889 CA GLY A 122 9.198 2.819 7.649 1.00 54.25 C ATOM 1890 C GLY A 122 8.271 3.013 6.464 1.00 4.03 C ATOM 1891 O GLY A 122 7.386 3.869 6.492 1.00 2.14 O ATOM 0 H GLY A 122 9.751 0.883 7.068 1.00 23.05 H new ATOM 0 HA2 GLY A 122 8.606 2.604 8.539 1.00 54.25 H new ATOM 0 HA3 GLY A 122 9.737 3.747 7.841 1.00 54.25 H new ATOM 1895 N LEU A 123 8.475 2.218 5.420 1.00 62.02 N ATOM 1896 CA LEU A 123 7.652 2.307 4.219 1.00 61.24 C ATOM 1897 C LEU A 123 6.450 1.373 4.312 1.00 32.10 C ATOM 1898 O LEU A 123 5.455 1.555 3.610 1.00 24.54 O ATOM 1899 CB LEU A 123 8.483 1.965 2.981 1.00 61.33 C ATOM 1900 CG LEU A 123 7.962 2.511 1.651 1.00 64.12 C ATOM 1901 CD1 LEU A 123 8.442 3.938 1.435 1.00 24.22 C ATOM 1902 CD2 LEU A 123 8.402 1.619 0.499 1.00 32.31 C ATOM 0 H LEU A 123 9.203 1.505 5.381 1.00 62.02 H new ATOM 0 HA LEU A 123 7.288 3.331 4.133 1.00 61.24 H new ATOM 0 HB2 LEU A 123 9.495 2.339 3.133 1.00 61.33 H new ATOM 0 HB3 LEU A 123 8.553 0.880 2.903 1.00 61.33 H new ATOM 0 HG LEU A 123 6.873 2.517 1.685 1.00 64.12 H new ATOM 0 HD11 LEU A 123 8.061 4.310 0.484 1.00 24.22 H new ATOM 0 HD12 LEU A 123 8.077 4.571 2.244 1.00 24.22 H new ATOM 0 HD13 LEU A 123 9.532 3.957 1.422 1.00 24.22 H new ATOM 0 HD21 LEU A 123 8.022 2.023 -0.439 1.00 32.31 H new ATOM 0 HD22 LEU A 123 9.491 1.581 0.464 1.00 32.31 H new ATOM 0 HD23 LEU A 123 8.009 0.613 0.647 1.00 32.31 H new ATOM 1914 N GLU A 124 6.548 0.375 5.185 1.00 65.13 N ATOM 1915 CA GLU A 124 5.468 -0.586 5.370 1.00 33.33 C ATOM 1916 C GLU A 124 5.222 -1.382 4.092 1.00 55.24 C ATOM 1917 O GLU A 124 4.199 -2.052 3.953 1.00 31.14 O ATOM 1918 CB GLU A 124 4.184 0.131 5.793 1.00 40.44 C ATOM 1919 CG GLU A 124 3.540 -0.455 7.038 1.00 44.11 C ATOM 1920 CD GLU A 124 2.114 -0.911 6.798 1.00 65.31 C ATOM 1921 OE1 GLU A 124 1.930 -2.041 6.298 1.00 40.11 O ATOM 1922 OE2 GLU A 124 1.184 -0.140 7.109 1.00 15.33 O ATOM 0 H GLU A 124 7.364 0.211 5.775 1.00 65.13 H new ATOM 0 HA GLU A 124 5.765 -1.279 6.157 1.00 33.33 H new ATOM 0 HB2 GLU A 124 4.407 1.183 5.971 1.00 40.44 H new ATOM 0 HB3 GLU A 124 3.469 0.091 4.972 1.00 40.44 H new ATOM 0 HG2 GLU A 124 4.134 -1.300 7.386 1.00 44.11 H new ATOM 0 HG3 GLU A 124 3.550 0.291 7.833 1.00 44.11 H new