USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 897 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 26 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= -0.226 USER MOD Set 2.1: A 108 SER OG : rot -59:sc= 0.181 USER MOD Set 2.2: A 111 GLN : amide:sc= -0.322 X(o=-0.14,f=0) USER MOD Set 3.1: A 90 MET CE :methyl -119:sc= -0.201 (180deg=-0.728) USER MOD Set 3.2: A 92 SER OG : rot 180:sc= -0.0873 USER MOD Set 3.3: A 93 GLN : amide:sc= -11.9! C(o=-12!,f=-13!) USER MOD Set 4.1: A 62 SER OG : rot 150:sc= -2.72! USER MOD Set 4.2: A 88 ASN :FLIP amide:sc= -2.65 F(o=-8.1!,f=-5.4) USER MOD Set 5.1: A 71 THR OG1 : rot 134:sc= 1.27 USER MOD Set 5.2: A 77 THR OG1 : rot 180:sc= 0.9 USER MOD Set 6.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.346 F(o=-2.2,f=-0.35) USER MOD Single : A 11 TYR OH : rot 150:sc= -0.0489 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.063 K(o=-0.063,f=-0.94) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.226 USER MOD Single : A 17 ASN : amide:sc= -0.267 K(o=-0.27,f=-3.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 148:sc= -2.76 (180deg=-3.25!) USER MOD Single : A 34 THR OG1 : rot -58:sc= 0.317 USER MOD Single : A 45 GLN : amide:sc= -0.898 K(o=-0.9,f=-1.5!) USER MOD Single : A 54 SER OG : rot 70:sc= -0.902 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.763 F(o=-1.6,f=-0.76) USER MOD Single : A 70 MET CE :methyl -133:sc= -7.22! (180deg=-8.72!) USER MOD Single : A 73 MET CE :methyl -131:sc= -1.02 (180deg=-3.24!) USER MOD Single : A 74 TYR OH : rot 6:sc= 1.17 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.0409 F(o=-1.8,f=-0.041) USER MOD Single : A 87 GLN :FLIP amide:sc= -1.31 F(o=-3.9!,f=-1.3) USER MOD Single : A 95 GLN : amide:sc= -0.145 K(o=-0.15,f=-2.2!) USER MOD Single : A 96 MET CE :methyl 167:sc= -0.22 (180deg=-0.758) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -164:sc=-0.00797 (180deg=-0.12) USER MOD Single : A 105 HIS : no HD1:sc= -2.26! C(o=-2.3!,f=-4.1!) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 134:sc= 0.017 USER MOD Single : A 121 THR OG1 : rot -81:sc= 0.826 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 LYS NZ :NH3+ -159:sc= 0.714 (180deg=0.439) USER MOD ----------------------------------------------------------------- ATOM 109 N LEU A 8 -2.990 10.151 4.976 1.00 1.01 N ATOM 110 CA LEU A 8 -4.240 9.883 5.679 1.00 24.24 C ATOM 111 C LEU A 8 -5.038 11.167 5.880 1.00 20.10 C ATOM 112 O LEU A 8 -6.266 11.140 5.962 1.00 71.22 O ATOM 113 CB LEU A 8 -3.956 9.228 7.033 1.00 41.44 C ATOM 114 CG LEU A 8 -3.388 7.810 6.986 1.00 24.41 C ATOM 115 CD1 LEU A 8 -3.435 7.170 8.365 1.00 4.31 C ATOM 116 CD2 LEU A 8 -4.150 6.963 5.977 1.00 23.33 C ATOM 0 HA LEU A 8 -4.832 9.201 5.069 1.00 24.24 H new ATOM 0 HB2 LEU A 8 -3.257 9.860 7.580 1.00 41.44 H new ATOM 0 HB3 LEU A 8 -4.883 9.208 7.606 1.00 41.44 H new ATOM 0 HG LEU A 8 -2.346 7.867 6.670 1.00 24.41 H new ATOM 0 HD11 LEU A 8 -3.027 6.161 8.312 1.00 4.31 H new ATOM 0 HD12 LEU A 8 -2.844 7.764 9.062 1.00 4.31 H new ATOM 0 HD13 LEU A 8 -4.468 7.126 8.711 1.00 4.31 H new ATOM 0 HD21 LEU A 8 -3.732 5.957 5.957 1.00 23.33 H new ATOM 0 HD22 LEU A 8 -5.201 6.914 6.263 1.00 23.33 H new ATOM 0 HD23 LEU A 8 -4.064 7.411 4.987 1.00 23.33 H new ATOM 128 N ASP A 9 -4.333 12.290 5.956 1.00 24.04 N ATOM 129 CA ASP A 9 -4.975 13.585 6.144 1.00 55.40 C ATOM 130 C ASP A 9 -6.085 13.795 5.118 1.00 44.32 C ATOM 131 O ASP A 9 -7.082 14.460 5.396 1.00 11.02 O ATOM 132 CB ASP A 9 -3.945 14.710 6.037 1.00 41.42 C ATOM 133 CG ASP A 9 -2.652 14.382 6.757 1.00 20.21 C ATOM 134 OD1 ASP A 9 -2.625 13.377 7.498 1.00 41.02 O ATOM 135 OD2 ASP A 9 -1.667 15.130 6.581 1.00 74.13 O ATOM 0 H ASP A 9 -3.316 12.329 5.890 1.00 24.04 H new ATOM 0 HA ASP A 9 -5.417 13.602 7.140 1.00 55.40 H new ATOM 0 HB2 ASP A 9 -3.733 14.905 4.986 1.00 41.42 H new ATOM 0 HB3 ASP A 9 -4.367 15.625 6.452 1.00 41.42 H new ATOM 140 N GLN A 10 -5.902 13.225 3.931 1.00 23.03 N ATOM 141 CA GLN A 10 -6.886 13.352 2.863 1.00 34.35 C ATOM 142 C GLN A 10 -8.171 12.608 3.216 1.00 4.32 C ATOM 143 O GLN A 10 -9.268 13.049 2.875 1.00 15.00 O ATOM 144 CB GLN A 10 -6.317 12.815 1.549 1.00 22.43 C ATOM 145 CG GLN A 10 -4.965 13.406 1.185 1.00 4.45 C ATOM 146 CD GLN A 10 -5.007 14.915 1.044 1.00 41.14 C ATOM 147 OE1 GLN A 10 -5.102 15.613 2.169 1.00 73.45 O flip ATOM 148 NE2 GLN A 10 -4.955 15.448 -0.065 1.00 4.41 N flip ATOM 0 H GLN A 10 -5.082 12.671 3.685 1.00 23.03 H new ATOM 0 HA GLN A 10 -7.120 14.410 2.743 1.00 34.35 H new ATOM 0 HB2 GLN A 10 -6.223 11.731 1.619 1.00 22.43 H new ATOM 0 HB3 GLN A 10 -7.023 13.023 0.745 1.00 22.43 H new ATOM 0 HG2 GLN A 10 -4.237 13.136 1.950 1.00 4.45 H new ATOM 0 HG3 GLN A 10 -4.621 12.967 0.249 1.00 4.45 H new ATOM 0 HE21 GLN A 10 -4.882 14.873 -0.904 1.00 4.41 H new ATOM 0 HE22 GLN A 10 -4.985 16.464 -0.144 1.00 4.41 H new ATOM 157 N TYR A 11 -8.026 11.479 3.900 1.00 5.14 N ATOM 158 CA TYR A 11 -9.174 10.673 4.297 1.00 62.21 C ATOM 159 C TYR A 11 -10.018 11.402 5.337 1.00 14.13 C ATOM 160 O TYR A 11 -11.215 11.147 5.471 1.00 15.23 O ATOM 161 CB TYR A 11 -8.710 9.326 4.854 1.00 61.23 C ATOM 162 CG TYR A 11 -8.256 8.354 3.788 1.00 74.11 C ATOM 163 CD1 TYR A 11 -9.004 8.161 2.632 1.00 1.44 C ATOM 164 CD2 TYR A 11 -7.082 7.627 3.937 1.00 44.44 C ATOM 165 CE1 TYR A 11 -8.594 7.274 1.656 1.00 30.12 C ATOM 166 CE2 TYR A 11 -6.663 6.739 2.965 1.00 73.00 C ATOM 167 CZ TYR A 11 -7.423 6.566 1.827 1.00 61.42 C ATOM 168 OH TYR A 11 -7.010 5.680 0.857 1.00 13.53 O ATOM 0 H TYR A 11 -7.124 11.101 4.191 1.00 5.14 H new ATOM 0 HA TYR A 11 -9.788 10.501 3.413 1.00 62.21 H new ATOM 0 HB2 TYR A 11 -7.891 9.494 5.553 1.00 61.23 H new ATOM 0 HB3 TYR A 11 -9.525 8.876 5.421 1.00 61.23 H new ATOM 0 HD1 TYR A 11 -9.921 8.714 2.495 1.00 1.44 H new ATOM 0 HD2 TYR A 11 -6.486 7.758 4.828 1.00 44.44 H new ATOM 0 HE1 TYR A 11 -9.187 7.136 0.764 1.00 30.12 H new ATOM 0 HE2 TYR A 11 -5.746 6.184 3.095 1.00 73.00 H new ATOM 0 HH TYR A 11 -6.031 5.630 0.855 1.00 13.53 H new ATOM 178 N TYR A 12 -9.386 12.311 6.071 1.00 11.11 N ATOM 179 CA TYR A 12 -10.077 13.077 7.101 1.00 12.32 C ATOM 180 C TYR A 12 -11.233 13.874 6.504 1.00 34.31 C ATOM 181 O TYR A 12 -12.294 14.001 7.115 1.00 2.12 O ATOM 182 CB TYR A 12 -9.102 14.023 7.804 1.00 25.52 C ATOM 183 CG TYR A 12 -8.821 13.644 9.241 1.00 14.52 C ATOM 184 CD1 TYR A 12 -9.859 13.343 10.115 1.00 25.43 C ATOM 185 CD2 TYR A 12 -7.520 13.590 9.725 1.00 12.21 C ATOM 186 CE1 TYR A 12 -9.608 12.997 11.429 1.00 4.42 C ATOM 187 CE2 TYR A 12 -7.260 13.244 11.037 1.00 41.51 C ATOM 188 CZ TYR A 12 -8.307 12.949 11.885 1.00 3.21 C ATOM 189 OH TYR A 12 -8.052 12.606 13.193 1.00 64.10 O ATOM 0 H TYR A 12 -8.396 12.535 5.972 1.00 11.11 H new ATOM 0 HA TYR A 12 -10.481 12.374 7.830 1.00 12.32 H new ATOM 0 HB2 TYR A 12 -8.163 14.040 7.251 1.00 25.52 H new ATOM 0 HB3 TYR A 12 -9.507 15.035 7.776 1.00 25.52 H new ATOM 0 HD1 TYR A 12 -10.879 13.380 9.761 1.00 25.43 H new ATOM 0 HD2 TYR A 12 -6.698 13.822 9.064 1.00 12.21 H new ATOM 0 HE1 TYR A 12 -10.426 12.765 12.095 1.00 4.42 H new ATOM 0 HE2 TYR A 12 -6.242 13.205 11.397 1.00 41.51 H new ATOM 0 HH TYR A 12 -7.085 12.618 13.352 1.00 64.10 H new ATOM 199 N GLU A 13 -11.019 14.407 5.305 1.00 34.03 N ATOM 200 CA GLU A 13 -12.043 15.191 4.625 1.00 12.30 C ATOM 201 C GLU A 13 -13.309 14.366 4.413 1.00 13.21 C ATOM 202 O GLU A 13 -14.419 14.835 4.670 1.00 44.34 O ATOM 203 CB GLU A 13 -11.520 15.697 3.279 1.00 24.21 C ATOM 204 CG GLU A 13 -10.205 16.451 3.382 1.00 25.01 C ATOM 205 CD GLU A 13 -10.351 17.926 3.063 1.00 14.12 C ATOM 206 OE1 GLU A 13 -11.247 18.572 3.646 1.00 12.24 O ATOM 207 OE2 GLU A 13 -9.572 18.434 2.231 1.00 43.31 O ATOM 0 H GLU A 13 -10.147 14.310 4.785 1.00 34.03 H new ATOM 0 HA GLU A 13 -12.288 16.045 5.256 1.00 12.30 H new ATOM 0 HB2 GLU A 13 -11.391 14.849 2.607 1.00 24.21 H new ATOM 0 HB3 GLU A 13 -12.269 16.349 2.830 1.00 24.21 H new ATOM 0 HG2 GLU A 13 -9.804 16.339 4.390 1.00 25.01 H new ATOM 0 HG3 GLU A 13 -9.481 16.006 2.700 1.00 25.01 H new ATOM 214 N ILE A 14 -13.135 13.136 3.943 1.00 23.31 N ATOM 215 CA ILE A 14 -14.262 12.245 3.697 1.00 12.31 C ATOM 216 C ILE A 14 -14.929 11.829 5.004 1.00 54.33 C ATOM 217 O ILE A 14 -16.153 11.867 5.126 1.00 74.23 O ATOM 218 CB ILE A 14 -13.825 10.982 2.932 1.00 55.11 C ATOM 219 CG1 ILE A 14 -13.298 11.356 1.545 1.00 10.32 C ATOM 220 CG2 ILE A 14 -14.986 10.005 2.817 1.00 23.32 C ATOM 221 CD1 ILE A 14 -11.790 11.457 1.479 1.00 31.41 C ATOM 0 H ILE A 14 -12.224 12.733 3.725 1.00 23.31 H new ATOM 0 HA ILE A 14 -14.976 12.800 3.088 1.00 12.31 H new ATOM 0 HB ILE A 14 -13.021 10.498 3.487 1.00 55.11 H new ATOM 0 HG12 ILE A 14 -13.636 10.612 0.824 1.00 10.32 H new ATOM 0 HG13 ILE A 14 -13.732 12.310 1.246 1.00 10.32 H new ATOM 0 HG21 ILE A 14 -14.662 9.117 2.274 1.00 23.32 H new ATOM 0 HG22 ILE A 14 -15.321 9.718 3.814 1.00 23.32 H new ATOM 0 HG23 ILE A 14 -15.808 10.479 2.281 1.00 23.32 H new ATOM 0 HD11 ILE A 14 -11.487 11.725 0.467 1.00 31.41 H new ATOM 0 HD12 ILE A 14 -11.446 12.222 2.175 1.00 31.41 H new ATOM 0 HD13 ILE A 14 -11.349 10.497 1.747 1.00 31.41 H new ATOM 233 N GLN A 15 -14.116 11.435 5.978 1.00 63.22 N ATOM 234 CA GLN A 15 -14.628 11.013 7.276 1.00 22.02 C ATOM 235 C GLN A 15 -15.467 12.115 7.914 1.00 33.34 C ATOM 236 O GLN A 15 -16.576 11.867 8.389 1.00 15.22 O ATOM 237 CB GLN A 15 -13.473 10.633 8.205 1.00 61.15 C ATOM 238 CG GLN A 15 -12.671 9.436 7.719 1.00 31.04 C ATOM 239 CD GLN A 15 -11.555 9.056 8.673 1.00 74.22 C ATOM 240 OE1 GLN A 15 -11.441 9.611 9.766 1.00 35.42 O ATOM 241 NE2 GLN A 15 -10.724 8.105 8.263 1.00 74.32 N ATOM 0 H GLN A 15 -13.100 11.399 5.893 1.00 63.22 H new ATOM 0 HA GLN A 15 -15.263 10.141 7.122 1.00 22.02 H new ATOM 0 HB2 GLN A 15 -12.806 11.488 8.310 1.00 61.15 H new ATOM 0 HB3 GLN A 15 -13.871 10.415 9.196 1.00 61.15 H new ATOM 0 HG2 GLN A 15 -13.339 8.584 7.589 1.00 31.04 H new ATOM 0 HG3 GLN A 15 -12.247 9.661 6.740 1.00 31.04 H new ATOM 0 HE21 GLN A 15 -10.856 7.672 7.349 1.00 74.32 H new ATOM 0 HE22 GLN A 15 -9.954 7.808 8.862 1.00 74.32 H new ATOM 250 N CYS A 16 -14.932 13.330 7.923 1.00 45.14 N ATOM 251 CA CYS A 16 -15.631 14.470 8.504 1.00 53.30 C ATOM 252 C CYS A 16 -16.935 14.744 7.762 1.00 51.24 C ATOM 253 O CYS A 16 -17.964 15.023 8.376 1.00 42.01 O ATOM 254 CB CYS A 16 -14.740 15.713 8.471 1.00 74.05 C ATOM 255 SG CYS A 16 -14.746 16.667 10.007 1.00 71.14 S ATOM 0 H CYS A 16 -14.015 13.551 7.534 1.00 45.14 H new ATOM 0 HA CYS A 16 -15.868 14.230 9.540 1.00 53.30 H new ATOM 0 HB2 CYS A 16 -13.717 15.408 8.249 1.00 74.05 H new ATOM 0 HB3 CYS A 16 -15.064 16.358 7.654 1.00 74.05 H new ATOM 0 HG CYS A 16 -13.962 17.696 9.882 1.00 71.14 H new ATOM 261 N ASN A 17 -16.883 14.664 6.436 1.00 52.21 N ATOM 262 CA ASN A 17 -18.060 14.906 5.609 1.00 60.20 C ATOM 263 C ASN A 17 -19.191 13.951 5.980 1.00 42.12 C ATOM 264 O ASN A 17 -20.366 14.310 5.911 1.00 22.43 O ATOM 265 CB ASN A 17 -17.709 14.748 4.128 1.00 14.10 C ATOM 266 CG ASN A 17 -17.636 16.080 3.406 1.00 31.22 C ATOM 267 OD1 ASN A 17 -18.179 17.082 3.872 1.00 74.41 O ATOM 268 ND2 ASN A 17 -16.962 16.096 2.262 1.00 12.11 N ATOM 0 H ASN A 17 -16.039 14.434 5.912 1.00 52.21 H new ATOM 0 HA ASN A 17 -18.397 15.927 5.789 1.00 60.20 H new ATOM 0 HB2 ASN A 17 -16.751 14.235 4.037 1.00 14.10 H new ATOM 0 HB3 ASN A 17 -18.455 14.117 3.646 1.00 14.10 H new ATOM 0 HD21 ASN A 17 -16.878 16.963 1.731 1.00 12.11 H new ATOM 0 HD22 ASN A 17 -16.528 15.241 1.914 1.00 12.11 H new ATOM 275 N GLU A 18 -18.826 12.735 6.373 1.00 30.22 N ATOM 276 CA GLU A 18 -19.810 11.729 6.755 1.00 74.23 C ATOM 277 C GLU A 18 -20.560 12.151 8.015 1.00 2.51 C ATOM 278 O GLU A 18 -21.766 11.936 8.135 1.00 35.45 O ATOM 279 CB GLU A 18 -19.130 10.377 6.982 1.00 44.51 C ATOM 280 CG GLU A 18 -19.151 9.473 5.762 1.00 64.55 C ATOM 281 CD GLU A 18 -18.043 9.795 4.777 1.00 31.32 C ATOM 282 OE1 GLU A 18 -16.863 9.571 5.119 1.00 2.42 O ATOM 283 OE2 GLU A 18 -18.356 10.270 3.666 1.00 40.02 O ATOM 0 H GLU A 18 -17.857 12.423 6.435 1.00 30.22 H new ATOM 0 HA GLU A 18 -20.528 11.634 5.940 1.00 74.23 H new ATOM 0 HB2 GLU A 18 -18.095 10.546 7.281 1.00 44.51 H new ATOM 0 HB3 GLU A 18 -19.622 9.867 7.810 1.00 44.51 H new ATOM 0 HG2 GLU A 18 -19.057 8.435 6.082 1.00 64.55 H new ATOM 0 HG3 GLU A 18 -20.115 9.566 5.262 1.00 64.55 H new ATOM 290 N LEU A 19 -19.836 12.754 8.952 1.00 13.11 N ATOM 291 CA LEU A 19 -20.431 13.207 10.205 1.00 53.33 C ATOM 292 C LEU A 19 -21.472 14.294 9.952 1.00 63.44 C ATOM 293 O LEU A 19 -22.606 14.200 10.419 1.00 1.35 O ATOM 294 CB LEU A 19 -19.347 13.733 11.146 1.00 4.34 C ATOM 295 CG LEU A 19 -18.728 12.708 12.097 1.00 30.20 C ATOM 296 CD1 LEU A 19 -18.206 11.508 11.322 1.00 74.12 C ATOM 297 CD2 LEU A 19 -17.613 13.343 12.914 1.00 5.12 C ATOM 0 H LEU A 19 -18.837 12.940 8.868 1.00 13.11 H new ATOM 0 HA LEU A 19 -20.927 12.356 10.672 1.00 53.33 H new ATOM 0 HB2 LEU A 19 -18.550 14.167 10.543 1.00 4.34 H new ATOM 0 HB3 LEU A 19 -19.772 14.541 11.741 1.00 4.34 H new ATOM 0 HG LEU A 19 -19.502 12.363 12.782 1.00 30.20 H new ATOM 0 HD11 LEU A 19 -17.769 10.789 12.015 1.00 74.12 H new ATOM 0 HD12 LEU A 19 -19.028 11.038 10.782 1.00 74.12 H new ATOM 0 HD13 LEU A 19 -17.446 11.836 10.612 1.00 74.12 H new ATOM 0 HD21 LEU A 19 -17.184 12.599 13.585 1.00 5.12 H new ATOM 0 HD22 LEU A 19 -16.838 13.716 12.244 1.00 5.12 H new ATOM 0 HD23 LEU A 19 -18.016 14.170 13.499 1.00 5.12 H new ATOM 309 N GLU A 20 -21.077 15.322 9.207 1.00 73.32 N ATOM 310 CA GLU A 20 -21.977 16.425 8.891 1.00 71.32 C ATOM 311 C GLU A 20 -23.086 15.969 7.947 1.00 72.20 C ATOM 312 O GLU A 20 -24.211 16.464 8.009 1.00 40.21 O ATOM 313 CB GLU A 20 -21.200 17.582 8.260 1.00 25.12 C ATOM 314 CG GLU A 20 -20.015 17.133 7.421 1.00 2.42 C ATOM 315 CD GLU A 20 -19.467 18.243 6.545 1.00 51.12 C ATOM 316 OE1 GLU A 20 -20.222 18.753 5.691 1.00 71.21 O ATOM 317 OE2 GLU A 20 -18.283 18.602 6.714 1.00 62.32 O ATOM 0 H GLU A 20 -20.141 15.414 8.812 1.00 73.32 H new ATOM 0 HA GLU A 20 -22.432 16.766 9.821 1.00 71.32 H new ATOM 0 HB2 GLU A 20 -21.877 18.165 7.635 1.00 25.12 H new ATOM 0 HB3 GLU A 20 -20.845 18.244 9.050 1.00 25.12 H new ATOM 0 HG2 GLU A 20 -19.225 16.771 8.079 1.00 2.42 H new ATOM 0 HG3 GLU A 20 -20.316 16.295 6.793 1.00 2.42 H new ATOM 324 N ALA A 21 -22.760 15.022 7.074 1.00 63.15 N ATOM 325 CA ALA A 21 -23.727 14.498 6.118 1.00 73.33 C ATOM 326 C ALA A 21 -24.897 13.830 6.832 1.00 75.54 C ATOM 327 O ALA A 21 -26.059 14.120 6.545 1.00 52.13 O ATOM 328 CB ALA A 21 -23.054 13.516 5.170 1.00 34.21 C ATOM 0 H ALA A 21 -21.833 14.602 7.009 1.00 63.15 H new ATOM 0 HA ALA A 21 -24.118 15.334 5.539 1.00 73.33 H new ATOM 0 HB1 ALA A 21 -23.788 13.133 4.462 1.00 34.21 H new ATOM 0 HB2 ALA A 21 -22.256 14.023 4.627 1.00 34.21 H new ATOM 0 HB3 ALA A 21 -22.635 12.688 5.741 1.00 34.21 H new ATOM 334 N ILE A 22 -24.584 12.934 7.761 1.00 24.42 N ATOM 335 CA ILE A 22 -25.610 12.225 8.516 1.00 62.12 C ATOM 336 C ILE A 22 -26.205 13.114 9.603 1.00 72.54 C ATOM 337 O ILE A 22 -27.394 13.022 9.911 1.00 5.33 O ATOM 338 CB ILE A 22 -25.049 10.946 9.164 1.00 30.45 C ATOM 339 CG1 ILE A 22 -25.091 9.783 8.170 1.00 4.24 C ATOM 340 CG2 ILE A 22 -25.833 10.602 10.422 1.00 2.24 C ATOM 341 CD1 ILE A 22 -24.850 10.204 6.738 1.00 51.54 C ATOM 0 H ILE A 22 -23.628 12.681 8.009 1.00 24.42 H new ATOM 0 HA ILE A 22 -26.391 11.950 7.807 1.00 62.12 H new ATOM 0 HB ILE A 22 -24.010 11.124 9.443 1.00 30.45 H new ATOM 0 HG12 ILE A 22 -24.341 9.045 8.454 1.00 4.24 H new ATOM 0 HG13 ILE A 22 -26.062 9.293 8.238 1.00 4.24 H new ATOM 0 HG21 ILE A 22 -25.425 9.695 10.869 1.00 2.24 H new ATOM 0 HG22 ILE A 22 -25.757 11.424 11.134 1.00 2.24 H new ATOM 0 HG23 ILE A 22 -26.880 10.440 10.165 1.00 2.24 H new ATOM 0 HD11 ILE A 22 -24.894 9.329 6.089 1.00 51.54 H new ATOM 0 HD12 ILE A 22 -25.615 10.919 6.435 1.00 51.54 H new ATOM 0 HD13 ILE A 22 -23.867 10.668 6.656 1.00 51.54 H new ATOM 353 N ARG A 23 -25.372 13.974 10.178 1.00 2.01 N ATOM 354 CA ARG A 23 -25.816 14.880 11.230 1.00 1.23 C ATOM 355 C ARG A 23 -27.046 15.667 10.787 1.00 20.21 C ATOM 356 O ARG A 23 -27.929 15.962 11.592 1.00 53.42 O ATOM 357 CB ARG A 23 -24.691 15.844 11.611 1.00 43.31 C ATOM 358 CG ARG A 23 -23.775 15.311 12.700 1.00 5.54 C ATOM 359 CD ARG A 23 -22.460 16.075 12.745 1.00 30.35 C ATOM 360 NE ARG A 23 -22.633 17.434 13.251 1.00 33.21 N ATOM 361 CZ ARG A 23 -21.728 18.395 13.101 1.00 34.41 C ATOM 362 NH1 ARG A 23 -20.593 18.147 12.463 1.00 21.32 N ATOM 363 NH2 ARG A 23 -21.959 19.607 13.589 1.00 22.34 N ATOM 0 H ARG A 23 -24.386 14.063 9.933 1.00 2.01 H new ATOM 0 HA ARG A 23 -26.083 14.281 12.101 1.00 1.23 H new ATOM 0 HB2 ARG A 23 -24.097 16.064 10.724 1.00 43.31 H new ATOM 0 HB3 ARG A 23 -25.128 16.785 11.944 1.00 43.31 H new ATOM 0 HG2 ARG A 23 -24.274 15.386 13.666 1.00 5.54 H new ATOM 0 HG3 ARG A 23 -23.577 14.253 12.525 1.00 5.54 H new ATOM 0 HD2 ARG A 23 -21.752 15.540 13.378 1.00 30.35 H new ATOM 0 HD3 ARG A 23 -22.028 16.113 11.745 1.00 30.35 H new ATOM 0 HE ARG A 23 -23.496 17.658 13.747 1.00 33.21 H new ATOM 0 HH11 ARG A 23 -20.413 17.217 12.086 1.00 21.32 H new ATOM 0 HH12 ARG A 23 -19.900 18.887 12.349 1.00 21.32 H new ATOM 0 HH21 ARG A 23 -22.832 19.801 14.080 1.00 22.34 H new ATOM 0 HH22 ARG A 23 -21.264 20.344 13.473 1.00 22.34 H new ATOM 377 N SER A 24 -27.096 16.003 9.502 1.00 4.11 N ATOM 378 CA SER A 24 -28.215 16.759 8.952 1.00 2.25 C ATOM 379 C SER A 24 -29.496 15.931 8.982 1.00 51.42 C ATOM 380 O SER A 24 -30.593 16.471 9.125 1.00 15.43 O ATOM 381 CB SER A 24 -27.908 17.195 7.518 1.00 33.33 C ATOM 382 OG SER A 24 -27.782 18.603 7.429 1.00 41.30 O ATOM 0 H SER A 24 -26.374 15.764 8.822 1.00 4.11 H new ATOM 0 HA SER A 24 -28.362 17.645 9.569 1.00 2.25 H new ATOM 0 HB2 SER A 24 -26.986 16.722 7.180 1.00 33.33 H new ATOM 0 HB3 SER A 24 -28.702 16.855 6.853 1.00 33.33 H new ATOM 0 HG SER A 24 -27.584 18.856 6.503 1.00 41.30 H new ATOM 388 N ILE A 25 -29.348 14.618 8.845 1.00 42.22 N ATOM 389 CA ILE A 25 -30.492 13.715 8.857 1.00 50.34 C ATOM 390 C ILE A 25 -30.912 13.379 10.283 1.00 32.14 C ATOM 391 O ILE A 25 -32.099 13.384 10.610 1.00 54.43 O ATOM 392 CB ILE A 25 -30.186 12.408 8.102 1.00 4.20 C ATOM 393 CG1 ILE A 25 -29.764 12.711 6.663 1.00 42.52 C ATOM 394 CG2 ILE A 25 -31.397 11.489 8.122 1.00 74.50 C ATOM 395 CD1 ILE A 25 -28.488 12.013 6.247 1.00 32.20 C ATOM 0 H ILE A 25 -28.447 14.156 8.724 1.00 42.22 H new ATOM 0 HA ILE A 25 -31.308 14.233 8.353 1.00 50.34 H new ATOM 0 HB ILE A 25 -29.361 11.901 8.603 1.00 4.20 H new ATOM 0 HG12 ILE A 25 -30.567 12.415 5.988 1.00 42.52 H new ATOM 0 HG13 ILE A 25 -29.633 13.787 6.550 1.00 42.52 H new ATOM 0 HG21 ILE A 25 -31.165 10.570 7.584 1.00 74.50 H new ATOM 0 HG22 ILE A 25 -31.656 11.251 9.154 1.00 74.50 H new ATOM 0 HG23 ILE A 25 -32.240 11.987 7.642 1.00 74.50 H new ATOM 0 HD11 ILE A 25 -28.250 12.274 5.216 1.00 32.20 H new ATOM 0 HD12 ILE A 25 -27.672 12.327 6.898 1.00 32.20 H new ATOM 0 HD13 ILE A 25 -28.621 10.934 6.327 1.00 32.20 H new ATOM 407 N TYR A 26 -29.931 13.088 11.130 1.00 2.21 N ATOM 408 CA TYR A 26 -30.198 12.749 12.523 1.00 73.34 C ATOM 409 C TYR A 26 -29.801 13.894 13.449 1.00 42.24 C ATOM 410 O TYR A 26 -29.233 13.674 14.518 1.00 63.02 O ATOM 411 CB TYR A 26 -29.444 11.477 12.913 1.00 23.14 C ATOM 412 CG TYR A 26 -29.864 10.257 12.125 1.00 43.12 C ATOM 413 CD1 TYR A 26 -31.207 9.954 11.938 1.00 2.52 C ATOM 414 CD2 TYR A 26 -28.917 9.408 11.565 1.00 20.33 C ATOM 415 CE1 TYR A 26 -31.595 8.841 11.219 1.00 22.32 C ATOM 416 CE2 TYR A 26 -29.296 8.292 10.843 1.00 1.44 C ATOM 417 CZ TYR A 26 -30.636 8.013 10.674 1.00 62.14 C ATOM 418 OH TYR A 26 -31.018 6.903 9.955 1.00 13.23 O ATOM 0 H TYR A 26 -28.943 13.080 10.876 1.00 2.21 H new ATOM 0 HA TYR A 26 -31.269 12.576 12.629 1.00 73.34 H new ATOM 0 HB2 TYR A 26 -28.376 11.640 12.771 1.00 23.14 H new ATOM 0 HB3 TYR A 26 -29.599 11.284 13.975 1.00 23.14 H new ATOM 0 HD1 TYR A 26 -31.961 10.601 12.363 1.00 2.52 H new ATOM 0 HD2 TYR A 26 -27.867 9.624 11.696 1.00 20.33 H new ATOM 0 HE1 TYR A 26 -32.644 8.620 11.084 1.00 22.32 H new ATOM 0 HE2 TYR A 26 -28.547 7.642 10.414 1.00 1.44 H new ATOM 0 HH TYR A 26 -30.221 6.428 9.639 1.00 13.23 H new ATOM 428 N MET A 27 -30.105 15.118 13.029 1.00 1.12 N ATOM 429 CA MET A 27 -29.782 16.299 13.821 1.00 5.21 C ATOM 430 C MET A 27 -30.042 16.048 15.303 1.00 52.30 C ATOM 431 O MET A 27 -29.189 16.321 16.148 1.00 52.13 O ATOM 432 CB MET A 27 -30.601 17.500 13.343 1.00 24.23 C ATOM 433 CG MET A 27 -30.507 17.742 11.846 1.00 71.14 C ATOM 434 SD MET A 27 -32.125 17.873 11.061 1.00 71.42 S ATOM 435 CE MET A 27 -32.784 16.236 11.368 1.00 22.34 C ATOM 0 H MET A 27 -30.574 15.318 12.146 1.00 1.12 H new ATOM 0 HA MET A 27 -28.722 16.516 13.688 1.00 5.21 H new ATOM 0 HB2 MET A 27 -31.646 17.348 13.613 1.00 24.23 H new ATOM 0 HB3 MET A 27 -30.263 18.393 13.869 1.00 24.23 H new ATOM 0 HG2 MET A 27 -29.944 18.658 11.664 1.00 71.14 H new ATOM 0 HG3 MET A 27 -29.948 16.928 11.385 1.00 71.14 H new ATOM 0 HE1 MET A 27 -33.866 16.295 11.485 1.00 22.34 H new ATOM 0 HE2 MET A 27 -32.545 15.584 10.528 1.00 22.34 H new ATOM 0 HE3 MET A 27 -32.342 15.831 12.279 1.00 22.34 H new ATOM 445 N ASP A 28 -31.225 15.528 15.611 1.00 20.01 N ATOM 446 CA ASP A 28 -31.597 15.240 16.991 1.00 34.33 C ATOM 447 C ASP A 28 -31.383 13.765 17.315 1.00 24.52 C ATOM 448 O ASP A 28 -31.480 13.352 18.471 1.00 10.11 O ATOM 449 CB ASP A 28 -33.058 15.622 17.238 1.00 24.44 C ATOM 450 CG ASP A 28 -33.242 16.405 18.523 1.00 23.34 C ATOM 451 OD1 ASP A 28 -32.937 17.615 18.529 1.00 43.42 O ATOM 452 OD2 ASP A 28 -33.690 15.807 19.524 1.00 31.51 O ATOM 0 H ASP A 28 -31.943 15.297 14.924 1.00 20.01 H new ATOM 0 HA ASP A 28 -30.958 15.834 17.645 1.00 34.33 H new ATOM 0 HB2 ASP A 28 -33.422 16.215 16.399 1.00 24.44 H new ATOM 0 HB3 ASP A 28 -33.665 14.718 17.277 1.00 24.44 H new ATOM 457 N ASP A 29 -31.091 12.975 16.288 1.00 72.24 N ATOM 458 CA ASP A 29 -30.863 11.545 16.463 1.00 43.24 C ATOM 459 C ASP A 29 -29.376 11.218 16.372 1.00 24.52 C ATOM 460 O ASP A 29 -28.993 10.144 15.906 1.00 41.21 O ATOM 461 CB ASP A 29 -31.638 10.751 15.410 1.00 24.42 C ATOM 462 CG ASP A 29 -32.954 10.217 15.941 1.00 43.03 C ATOM 463 OD1 ASP A 29 -32.929 9.442 16.920 1.00 63.01 O ATOM 464 OD2 ASP A 29 -34.009 10.575 15.377 1.00 1.14 O ATOM 0 H ASP A 29 -31.006 13.301 15.325 1.00 72.24 H new ATOM 0 HA ASP A 29 -31.219 11.263 17.454 1.00 43.24 H new ATOM 0 HB2 ASP A 29 -31.830 11.388 14.547 1.00 24.42 H new ATOM 0 HB3 ASP A 29 -31.025 9.919 15.062 1.00 24.42 H new ATOM 469 N PHE A 30 -28.541 12.150 16.820 1.00 32.22 N ATOM 470 CA PHE A 30 -27.096 11.961 16.788 1.00 4.20 C ATOM 471 C PHE A 30 -26.518 11.945 18.200 1.00 23.22 C ATOM 472 O PHE A 30 -26.912 12.739 19.055 1.00 43.34 O ATOM 473 CB PHE A 30 -26.433 13.069 15.967 1.00 55.43 C ATOM 474 CG PHE A 30 -24.949 13.166 16.176 1.00 33.33 C ATOM 475 CD1 PHE A 30 -24.435 13.668 17.361 1.00 42.13 C ATOM 476 CD2 PHE A 30 -24.069 12.753 15.189 1.00 3.34 C ATOM 477 CE1 PHE A 30 -23.070 13.758 17.556 1.00 45.53 C ATOM 478 CE2 PHE A 30 -22.702 12.841 15.379 1.00 73.11 C ATOM 479 CZ PHE A 30 -22.202 13.343 16.564 1.00 12.22 C ATOM 0 H PHE A 30 -28.841 13.044 17.210 1.00 32.22 H new ATOM 0 HA PHE A 30 -26.891 10.998 16.319 1.00 4.20 H new ATOM 0 HB2 PHE A 30 -26.632 12.895 14.910 1.00 55.43 H new ATOM 0 HB3 PHE A 30 -26.891 14.024 16.224 1.00 55.43 H new ATOM 0 HD1 PHE A 30 -25.109 13.992 18.140 1.00 42.13 H new ATOM 0 HD2 PHE A 30 -24.455 12.358 14.261 1.00 3.34 H new ATOM 0 HE1 PHE A 30 -22.682 14.153 18.483 1.00 45.53 H new ATOM 0 HE2 PHE A 30 -22.026 12.517 14.601 1.00 73.11 H new ATOM 0 HZ PHE A 30 -21.135 13.411 16.715 1.00 12.22 H new ATOM 489 N THR A 31 -25.580 11.033 18.439 1.00 32.21 N ATOM 490 CA THR A 31 -24.949 10.910 19.747 1.00 44.42 C ATOM 491 C THR A 31 -23.484 11.329 19.691 1.00 22.22 C ATOM 492 O THR A 31 -22.729 10.869 18.834 1.00 52.21 O ATOM 493 CB THR A 31 -25.039 9.469 20.282 1.00 71.34 C ATOM 494 OG1 THR A 31 -26.408 9.117 20.512 1.00 22.41 O ATOM 495 CG2 THR A 31 -24.248 9.320 21.572 1.00 24.31 C ATOM 0 H THR A 31 -25.241 10.369 17.743 1.00 32.21 H new ATOM 0 HA THR A 31 -25.489 11.574 20.422 1.00 44.42 H new ATOM 0 HB THR A 31 -24.613 8.800 19.534 1.00 71.34 H new ATOM 0 HG1 THR A 31 -26.457 8.199 20.850 1.00 22.41 H new ATOM 0 HG21 THR A 31 -24.327 8.294 21.931 1.00 24.31 H new ATOM 0 HG22 THR A 31 -23.201 9.560 21.387 1.00 24.31 H new ATOM 0 HG23 THR A 31 -24.648 9.999 22.325 1.00 24.31 H new ATOM 503 N ASP A 32 -23.088 12.202 20.610 1.00 3.15 N ATOM 504 CA ASP A 32 -21.711 12.681 20.667 1.00 15.21 C ATOM 505 C ASP A 32 -20.919 11.932 21.734 1.00 42.13 C ATOM 506 O ASP A 32 -21.216 12.028 22.925 1.00 1.02 O ATOM 507 CB ASP A 32 -21.683 14.183 20.954 1.00 13.30 C ATOM 508 CG ASP A 32 -21.099 14.502 22.316 1.00 30.43 C ATOM 509 OD1 ASP A 32 -19.861 14.423 22.464 1.00 12.24 O ATOM 510 OD2 ASP A 32 -21.879 14.830 23.234 1.00 53.10 O ATOM 0 H ASP A 32 -23.700 12.593 21.326 1.00 3.15 H new ATOM 0 HA ASP A 32 -21.247 12.495 19.698 1.00 15.21 H new ATOM 0 HB2 ASP A 32 -21.098 14.686 20.184 1.00 13.30 H new ATOM 0 HB3 ASP A 32 -22.696 14.580 20.894 1.00 13.30 H new ATOM 515 N LEU A 33 -19.910 11.186 21.298 1.00 21.42 N ATOM 516 CA LEU A 33 -19.074 10.419 22.215 1.00 32.54 C ATOM 517 C LEU A 33 -17.605 10.797 22.059 1.00 22.20 C ATOM 518 O LEU A 33 -16.782 10.511 22.930 1.00 52.10 O ATOM 519 CB LEU A 33 -19.256 8.920 21.970 1.00 63.34 C ATOM 520 CG LEU A 33 -18.175 8.242 21.126 1.00 52.21 C ATOM 521 CD1 LEU A 33 -18.470 6.758 20.973 1.00 23.02 C ATOM 522 CD2 LEU A 33 -18.067 8.909 19.763 1.00 43.35 C ATOM 0 H LEU A 33 -19.651 11.096 20.316 1.00 21.42 H new ATOM 0 HA LEU A 33 -19.384 10.655 23.233 1.00 32.54 H new ATOM 0 HB2 LEU A 33 -19.303 8.417 22.936 1.00 63.34 H new ATOM 0 HB3 LEU A 33 -20.219 8.766 21.483 1.00 63.34 H new ATOM 0 HG LEU A 33 -17.219 8.351 21.639 1.00 52.21 H new ATOM 0 HD11 LEU A 33 -17.691 6.292 20.370 1.00 23.02 H new ATOM 0 HD12 LEU A 33 -18.496 6.289 21.957 1.00 23.02 H new ATOM 0 HD13 LEU A 33 -19.435 6.627 20.483 1.00 23.02 H new ATOM 0 HD21 LEU A 33 -17.293 8.414 19.176 1.00 43.35 H new ATOM 0 HD22 LEU A 33 -19.022 8.832 19.243 1.00 43.35 H new ATOM 0 HD23 LEU A 33 -17.808 9.960 19.892 1.00 43.35 H new ATOM 534 N THR A 34 -17.281 11.444 20.944 1.00 61.55 N ATOM 535 CA THR A 34 -15.911 11.862 20.673 1.00 14.31 C ATOM 536 C THR A 34 -15.284 12.515 21.899 1.00 3.03 C ATOM 537 O THR A 34 -15.909 13.341 22.565 1.00 60.04 O ATOM 538 CB THR A 34 -15.848 12.849 19.492 1.00 75.33 C ATOM 539 OG1 THR A 34 -16.867 12.534 18.536 1.00 61.34 O ATOM 540 CG2 THR A 34 -14.484 12.803 18.820 1.00 31.24 C ATOM 0 H THR A 34 -17.949 11.690 20.214 1.00 61.55 H new ATOM 0 HA THR A 34 -15.351 10.963 20.416 1.00 14.31 H new ATOM 0 HB THR A 34 -16.011 13.855 19.879 1.00 75.33 H new ATOM 0 HG1 THR A 34 -16.750 11.612 18.225 1.00 61.34 H new ATOM 0 HG21 THR A 34 -14.464 13.508 17.989 1.00 31.24 H new ATOM 0 HG22 THR A 34 -13.713 13.071 19.543 1.00 31.24 H new ATOM 0 HG23 THR A 34 -14.296 11.796 18.446 1.00 31.24 H new ATOM 727 N GLN A 45 -11.068 10.421 16.890 1.00 32.34 N ATOM 728 CA GLN A 45 -10.920 9.685 15.640 1.00 3.12 C ATOM 729 C GLN A 45 -12.116 9.921 14.724 1.00 32.14 C ATOM 730 O GLN A 45 -12.256 9.268 13.690 1.00 34.41 O ATOM 731 CB GLN A 45 -10.763 8.189 15.920 1.00 51.34 C ATOM 732 CG GLN A 45 -10.400 7.375 14.688 1.00 13.12 C ATOM 733 CD GLN A 45 -9.990 5.956 15.027 1.00 32.41 C ATOM 734 OE1 GLN A 45 -8.901 5.509 14.666 1.00 73.44 O ATOM 735 NE2 GLN A 45 -10.862 5.238 15.725 1.00 33.14 N ATOM 0 HA GLN A 45 -10.024 10.049 15.137 1.00 3.12 H new ATOM 0 HB2 GLN A 45 -9.993 8.048 16.678 1.00 51.34 H new ATOM 0 HB3 GLN A 45 -11.694 7.806 16.337 1.00 51.34 H new ATOM 0 HG2 GLN A 45 -11.252 7.351 14.009 1.00 13.12 H new ATOM 0 HG3 GLN A 45 -9.585 7.868 14.158 1.00 13.12 H new ATOM 0 HE21 GLN A 45 -11.753 5.648 16.004 1.00 33.14 H new ATOM 0 HE22 GLN A 45 -10.640 4.276 15.983 1.00 33.14 H new ATOM 744 N ILE A 46 -12.976 10.857 15.112 1.00 42.24 N ATOM 745 CA ILE A 46 -14.160 11.179 14.325 1.00 43.04 C ATOM 746 C ILE A 46 -15.290 10.195 14.604 1.00 32.45 C ATOM 747 O ILE A 46 -16.399 10.345 14.091 1.00 51.13 O ATOM 748 CB ILE A 46 -13.851 11.174 12.816 1.00 72.43 C ATOM 749 CG1 ILE A 46 -14.447 12.414 12.147 1.00 74.23 C ATOM 750 CG2 ILE A 46 -14.390 9.906 12.170 1.00 61.05 C ATOM 751 CD1 ILE A 46 -13.411 13.435 11.734 1.00 4.10 C ATOM 0 H ILE A 46 -12.875 11.405 15.966 1.00 42.24 H new ATOM 0 HA ILE A 46 -14.473 12.181 14.621 1.00 43.04 H new ATOM 0 HB ILE A 46 -12.770 11.196 12.681 1.00 72.43 H new ATOM 0 HG12 ILE A 46 -15.012 12.106 11.267 1.00 74.23 H new ATOM 0 HG13 ILE A 46 -15.154 12.882 12.832 1.00 74.23 H new ATOM 0 HG21 ILE A 46 -14.164 9.917 11.104 1.00 61.05 H new ATOM 0 HG22 ILE A 46 -13.923 9.036 12.631 1.00 61.05 H new ATOM 0 HG23 ILE A 46 -15.470 9.856 12.312 1.00 61.05 H new ATOM 0 HD11 ILE A 46 -13.906 14.287 11.267 1.00 4.10 H new ATOM 0 HD12 ILE A 46 -12.862 13.772 12.613 1.00 4.10 H new ATOM 0 HD13 ILE A 46 -12.718 12.984 11.024 1.00 4.10 H new ATOM 763 N ILE A 47 -15.002 9.189 15.423 1.00 30.42 N ATOM 764 CA ILE A 47 -15.995 8.181 15.774 1.00 54.21 C ATOM 765 C ILE A 47 -17.203 8.814 16.456 1.00 54.41 C ATOM 766 O ILE A 47 -17.067 9.764 17.228 1.00 31.41 O ATOM 767 CB ILE A 47 -15.402 7.105 16.702 1.00 71.44 C ATOM 768 CG1 ILE A 47 -15.155 7.682 18.097 1.00 41.33 C ATOM 769 CG2 ILE A 47 -14.112 6.552 16.115 1.00 44.42 C ATOM 770 CD1 ILE A 47 -13.979 8.631 18.158 1.00 5.20 C ATOM 0 H ILE A 47 -14.089 9.050 15.856 1.00 30.42 H new ATOM 0 HA ILE A 47 -16.311 7.712 14.842 1.00 54.21 H new ATOM 0 HB ILE A 47 -16.118 6.288 16.790 1.00 71.44 H new ATOM 0 HG12 ILE A 47 -16.052 8.205 18.429 1.00 41.33 H new ATOM 0 HG13 ILE A 47 -14.987 6.863 18.796 1.00 41.33 H new ATOM 0 HG21 ILE A 47 -13.705 5.792 16.782 1.00 44.42 H new ATOM 0 HG22 ILE A 47 -14.317 6.107 15.141 1.00 44.42 H new ATOM 0 HG23 ILE A 47 -13.389 7.360 16.000 1.00 44.42 H new ATOM 0 HD11 ILE A 47 -13.863 9.001 19.177 1.00 5.20 H new ATOM 0 HD12 ILE A 47 -13.072 8.106 17.857 1.00 5.20 H new ATOM 0 HD13 ILE A 47 -14.153 9.470 17.484 1.00 5.20 H new ATOM 782 N PHE A 48 -18.386 8.282 16.167 1.00 61.52 N ATOM 783 CA PHE A 48 -19.619 8.794 16.753 1.00 71.32 C ATOM 784 C PHE A 48 -20.701 7.718 16.770 1.00 71.14 C ATOM 785 O PHE A 48 -20.680 6.790 15.962 1.00 70.12 O ATOM 786 CB PHE A 48 -20.111 10.015 15.973 1.00 65.00 C ATOM 787 CG PHE A 48 -20.609 9.685 14.595 1.00 15.51 C ATOM 788 CD1 PHE A 48 -19.750 9.172 13.637 1.00 0.31 C ATOM 789 CD2 PHE A 48 -21.938 9.888 14.258 1.00 0.41 C ATOM 790 CE1 PHE A 48 -20.206 8.869 12.368 1.00 15.04 C ATOM 791 CE2 PHE A 48 -22.400 9.587 12.991 1.00 73.51 C ATOM 792 CZ PHE A 48 -21.533 9.075 12.045 1.00 15.22 C ATOM 0 H PHE A 48 -18.517 7.496 15.530 1.00 61.52 H new ATOM 0 HA PHE A 48 -19.408 9.089 17.781 1.00 71.32 H new ATOM 0 HB2 PHE A 48 -20.912 10.496 16.534 1.00 65.00 H new ATOM 0 HB3 PHE A 48 -19.298 10.737 15.894 1.00 65.00 H new ATOM 0 HD1 PHE A 48 -18.712 9.007 13.885 1.00 0.31 H new ATOM 0 HD2 PHE A 48 -22.620 10.286 14.994 1.00 0.41 H new ATOM 0 HE1 PHE A 48 -19.525 8.472 11.630 1.00 15.04 H new ATOM 0 HE2 PHE A 48 -23.438 9.752 12.741 1.00 73.51 H new ATOM 0 HZ PHE A 48 -21.892 8.836 11.055 1.00 15.22 H new ATOM 802 N GLU A 49 -21.645 7.850 17.697 1.00 42.45 N ATOM 803 CA GLU A 49 -22.734 6.889 17.819 1.00 32.05 C ATOM 804 C GLU A 49 -24.055 7.501 17.361 1.00 44.30 C ATOM 805 O GLU A 49 -24.203 8.723 17.319 1.00 44.03 O ATOM 806 CB GLU A 49 -22.858 6.407 19.267 1.00 40.35 C ATOM 807 CG GLU A 49 -21.523 6.268 19.978 1.00 64.10 C ATOM 808 CD GLU A 49 -21.645 5.563 21.315 1.00 63.32 C ATOM 809 OE1 GLU A 49 -21.902 4.341 21.319 1.00 61.51 O ATOM 810 OE2 GLU A 49 -21.484 6.232 22.356 1.00 4.34 O ATOM 0 H GLU A 49 -21.677 8.613 18.374 1.00 42.45 H new ATOM 0 HA GLU A 49 -22.506 6.038 17.177 1.00 32.05 H new ATOM 0 HB2 GLU A 49 -23.484 7.106 19.821 1.00 40.35 H new ATOM 0 HB3 GLU A 49 -23.368 5.444 19.278 1.00 40.35 H new ATOM 0 HG2 GLU A 49 -20.832 5.715 19.341 1.00 64.10 H new ATOM 0 HG3 GLU A 49 -21.092 7.258 20.131 1.00 64.10 H new ATOM 817 N ILE A 50 -25.010 6.644 17.018 1.00 31.13 N ATOM 818 CA ILE A 50 -26.318 7.100 16.564 1.00 63.25 C ATOM 819 C ILE A 50 -27.439 6.326 17.248 1.00 23.55 C ATOM 820 O ILE A 50 -27.338 5.115 17.453 1.00 1.34 O ATOM 821 CB ILE A 50 -26.466 6.953 15.038 1.00 43.14 C ATOM 822 CG1 ILE A 50 -25.621 8.007 14.318 1.00 71.43 C ATOM 823 CG2 ILE A 50 -27.928 7.072 14.633 1.00 24.34 C ATOM 824 CD1 ILE A 50 -26.264 9.375 14.282 1.00 52.21 C ATOM 0 H ILE A 50 -24.903 5.630 17.046 1.00 31.13 H new ATOM 0 HA ILE A 50 -26.394 8.154 16.829 1.00 63.25 H new ATOM 0 HB ILE A 50 -26.108 5.966 14.747 1.00 43.14 H new ATOM 0 HG12 ILE A 50 -24.652 8.083 14.811 1.00 71.43 H new ATOM 0 HG13 ILE A 50 -25.434 7.675 13.297 1.00 71.43 H new ATOM 0 HG21 ILE A 50 -28.016 6.966 13.552 1.00 24.34 H new ATOM 0 HG22 ILE A 50 -28.506 6.288 15.123 1.00 24.34 H new ATOM 0 HG23 ILE A 50 -28.311 8.047 14.934 1.00 24.34 H new ATOM 0 HD11 ILE A 50 -25.610 10.071 13.757 1.00 52.21 H new ATOM 0 HD12 ILE A 50 -27.220 9.314 13.763 1.00 52.21 H new ATOM 0 HD13 ILE A 50 -26.426 9.728 15.301 1.00 52.21 H new ATOM 836 N THR A 51 -28.509 7.031 17.600 1.00 53.23 N ATOM 837 CA THR A 51 -29.650 6.411 18.261 1.00 73.11 C ATOM 838 C THR A 51 -30.614 5.809 17.245 1.00 55.52 C ATOM 839 O THR A 51 -31.174 6.520 16.408 1.00 21.14 O ATOM 840 CB THR A 51 -30.411 7.424 19.136 1.00 14.24 C ATOM 841 OG1 THR A 51 -29.526 7.996 20.106 1.00 34.33 O ATOM 842 CG2 THR A 51 -31.583 6.758 19.842 1.00 63.41 C ATOM 0 H THR A 51 -28.609 8.033 17.438 1.00 53.23 H new ATOM 0 HA THR A 51 -29.255 5.618 18.896 1.00 73.11 H new ATOM 0 HB THR A 51 -30.798 8.211 18.488 1.00 14.24 H new ATOM 0 HG1 THR A 51 -30.017 8.640 20.657 1.00 34.33 H new ATOM 0 HG21 THR A 51 -32.105 7.494 20.454 1.00 63.41 H new ATOM 0 HG22 THR A 51 -32.270 6.350 19.101 1.00 63.41 H new ATOM 0 HG23 THR A 51 -31.215 5.953 20.478 1.00 63.41 H new ATOM 850 N LEU A 52 -30.806 4.497 17.322 1.00 4.24 N ATOM 851 CA LEU A 52 -31.704 3.799 16.409 1.00 0.51 C ATOM 852 C LEU A 52 -32.779 3.038 17.178 1.00 11.42 C ATOM 853 O LEU A 52 -32.647 2.802 18.379 1.00 13.33 O ATOM 854 CB LEU A 52 -30.914 2.834 15.524 1.00 71.12 C ATOM 855 CG LEU A 52 -30.028 3.475 14.455 1.00 1.24 C ATOM 856 CD1 LEU A 52 -29.547 2.429 13.462 1.00 73.30 C ATOM 857 CD2 LEU A 52 -30.777 4.589 13.739 1.00 74.12 C ATOM 0 H LEU A 52 -30.351 3.895 18.008 1.00 4.24 H new ATOM 0 HA LEU A 52 -32.192 4.543 15.779 1.00 0.51 H new ATOM 0 HB2 LEU A 52 -30.286 2.216 16.165 1.00 71.12 H new ATOM 0 HB3 LEU A 52 -31.619 2.166 15.030 1.00 71.12 H new ATOM 0 HG LEU A 52 -29.156 3.908 14.945 1.00 1.24 H new ATOM 0 HD11 LEU A 52 -28.918 2.904 12.709 1.00 73.30 H new ATOM 0 HD12 LEU A 52 -28.972 1.666 13.987 1.00 73.30 H new ATOM 0 HD13 LEU A 52 -30.406 1.965 12.977 1.00 73.30 H new ATOM 0 HD21 LEU A 52 -30.131 5.034 12.982 1.00 74.12 H new ATOM 0 HD22 LEU A 52 -31.668 4.180 13.262 1.00 74.12 H new ATOM 0 HD23 LEU A 52 -31.070 5.352 14.460 1.00 74.12 H new ATOM 869 N ARG A 53 -33.841 2.655 16.478 1.00 54.35 N ATOM 870 CA ARG A 53 -34.939 1.920 17.094 1.00 23.23 C ATOM 871 C ARG A 53 -36.008 1.572 16.062 1.00 25.54 C ATOM 872 O ARG A 53 -35.919 1.974 14.903 1.00 53.15 O ATOM 873 CB ARG A 53 -35.557 2.740 18.228 1.00 52.11 C ATOM 874 CG ARG A 53 -36.194 4.039 17.762 1.00 13.12 C ATOM 875 CD ARG A 53 -35.459 5.250 18.316 1.00 73.22 C ATOM 876 NE ARG A 53 -35.339 6.317 17.326 1.00 63.43 N ATOM 877 CZ ARG A 53 -36.373 7.006 16.858 1.00 15.14 C ATOM 878 NH1 ARG A 53 -37.599 6.742 17.289 1.00 12.04 N ATOM 879 NH2 ARG A 53 -36.183 7.962 15.958 1.00 12.34 N ATOM 0 H ARG A 53 -33.965 2.842 15.483 1.00 54.35 H new ATOM 0 HA ARG A 53 -34.538 0.992 17.502 1.00 23.23 H new ATOM 0 HB2 ARG A 53 -36.311 2.136 18.733 1.00 52.11 H new ATOM 0 HB3 ARG A 53 -34.785 2.967 18.964 1.00 52.11 H new ATOM 0 HG2 ARG A 53 -36.191 4.077 16.673 1.00 13.12 H new ATOM 0 HG3 ARG A 53 -37.237 4.068 18.079 1.00 13.12 H new ATOM 0 HD2 ARG A 53 -35.988 5.626 19.192 1.00 73.22 H new ATOM 0 HD3 ARG A 53 -34.465 4.950 18.648 1.00 73.22 H new ATOM 0 HE ARG A 53 -34.409 6.546 16.975 1.00 63.43 H new ATOM 0 HH11 ARG A 53 -37.749 6.008 17.982 1.00 12.04 H new ATOM 0 HH12 ARG A 53 -38.392 7.273 16.928 1.00 12.04 H new ATOM 0 HH21 ARG A 53 -35.241 8.169 15.625 1.00 12.34 H new ATOM 0 HH22 ARG A 53 -36.978 8.490 15.600 1.00 12.34 H new ATOM 893 N SER A 54 -37.016 0.820 16.493 1.00 11.51 N ATOM 894 CA SER A 54 -38.100 0.414 15.606 1.00 43.11 C ATOM 895 C SER A 54 -38.978 1.607 15.239 1.00 64.20 C ATOM 896 O SER A 54 -38.536 2.755 15.287 1.00 55.13 O ATOM 897 CB SER A 54 -38.948 -0.674 16.267 1.00 11.45 C ATOM 898 OG SER A 54 -39.132 -1.777 15.397 1.00 2.12 O ATOM 0 H SER A 54 -37.104 0.480 17.451 1.00 11.51 H new ATOM 0 HA SER A 54 -37.659 0.016 14.692 1.00 43.11 H new ATOM 0 HB2 SER A 54 -38.465 -1.008 17.185 1.00 11.45 H new ATOM 0 HB3 SER A 54 -39.918 -0.263 16.548 1.00 11.45 H new ATOM 0 HG SER A 54 -38.283 -2.254 15.289 1.00 2.12 H new ATOM 904 N VAL A 55 -40.224 1.326 14.872 1.00 20.43 N ATOM 905 CA VAL A 55 -41.166 2.374 14.498 1.00 63.22 C ATOM 906 C VAL A 55 -42.360 2.404 15.445 1.00 21.30 C ATOM 907 O VAL A 55 -43.065 3.408 15.540 1.00 40.41 O ATOM 908 CB VAL A 55 -41.673 2.184 13.056 1.00 63.11 C ATOM 909 CG1 VAL A 55 -40.550 2.425 12.059 1.00 42.43 C ATOM 910 CG2 VAL A 55 -42.265 0.794 12.878 1.00 24.25 C ATOM 0 H VAL A 55 -40.605 0.381 14.826 1.00 20.43 H new ATOM 0 HA VAL A 55 -40.629 3.320 14.565 1.00 63.22 H new ATOM 0 HB VAL A 55 -42.458 2.916 12.867 1.00 63.11 H new ATOM 0 HG11 VAL A 55 -40.927 2.286 11.046 1.00 42.43 H new ATOM 0 HG12 VAL A 55 -40.176 3.443 12.171 1.00 42.43 H new ATOM 0 HG13 VAL A 55 -39.741 1.719 12.245 1.00 42.43 H new ATOM 0 HG21 VAL A 55 -42.618 0.677 11.853 1.00 24.25 H new ATOM 0 HG22 VAL A 55 -41.502 0.044 13.086 1.00 24.25 H new ATOM 0 HG23 VAL A 55 -43.100 0.663 13.567 1.00 24.25 H new ATOM 920 N ASP A 56 -42.581 1.296 16.145 1.00 42.24 N ATOM 921 CA ASP A 56 -43.689 1.195 17.087 1.00 53.33 C ATOM 922 C ASP A 56 -43.177 1.101 18.521 1.00 50.35 C ATOM 923 O ASP A 56 -41.971 1.020 18.757 1.00 54.03 O ATOM 924 CB ASP A 56 -44.555 -0.023 16.760 1.00 2.33 C ATOM 925 CG ASP A 56 -43.770 -1.124 16.075 1.00 24.15 C ATOM 926 OD1 ASP A 56 -42.636 -1.408 16.517 1.00 34.13 O ATOM 927 OD2 ASP A 56 -44.289 -1.703 15.098 1.00 4.52 O ATOM 0 H ASP A 56 -42.007 0.455 16.077 1.00 42.24 H new ATOM 0 HA ASP A 56 -44.295 2.097 16.995 1.00 53.33 H new ATOM 0 HB2 ASP A 56 -44.993 -0.411 17.680 1.00 2.33 H new ATOM 0 HB3 ASP A 56 -45.381 0.284 16.118 1.00 2.33 H new ATOM 932 N LYS A 57 -44.101 1.114 19.475 1.00 22.15 N ATOM 933 CA LYS A 57 -43.744 1.030 20.887 1.00 73.12 C ATOM 934 C LYS A 57 -44.202 -0.296 21.486 1.00 63.35 C ATOM 935 O LYS A 57 -43.668 -0.747 22.498 1.00 4.34 O ATOM 936 CB LYS A 57 -44.367 2.193 21.662 1.00 55.35 C ATOM 937 CG LYS A 57 -44.045 3.557 21.075 1.00 23.22 C ATOM 938 CD LYS A 57 -44.930 3.874 19.882 1.00 42.24 C ATOM 939 CE LYS A 57 -45.858 5.043 20.172 1.00 55.44 C ATOM 940 NZ LYS A 57 -45.500 6.248 19.373 1.00 70.13 N ATOM 0 H LYS A 57 -45.103 1.182 19.297 1.00 22.15 H new ATOM 0 HA LYS A 57 -42.658 1.089 20.965 1.00 73.12 H new ATOM 0 HB2 LYS A 57 -45.449 2.064 21.687 1.00 55.35 H new ATOM 0 HB3 LYS A 57 -44.018 2.159 22.694 1.00 55.35 H new ATOM 0 HG2 LYS A 57 -44.175 4.323 21.839 1.00 23.22 H new ATOM 0 HG3 LYS A 57 -42.999 3.585 20.771 1.00 23.22 H new ATOM 0 HD2 LYS A 57 -44.308 4.108 19.018 1.00 42.24 H new ATOM 0 HD3 LYS A 57 -45.520 2.995 19.622 1.00 42.24 H new ATOM 0 HE2 LYS A 57 -46.886 4.754 19.952 1.00 55.44 H new ATOM 0 HE3 LYS A 57 -45.815 5.286 21.234 1.00 55.44 H new ATOM 0 HZ1 LYS A 57 -46.156 7.022 19.600 1.00 70.13 H new ATOM 0 HZ2 LYS A 57 -44.528 6.540 19.601 1.00 70.13 H new ATOM 0 HZ3 LYS A 57 -45.565 6.024 18.359 1.00 70.13 H new ATOM 954 N GLU A 58 -45.192 -0.917 20.851 1.00 2.34 N ATOM 955 CA GLU A 58 -45.719 -2.192 21.323 1.00 53.14 C ATOM 956 C GLU A 58 -45.699 -3.234 20.208 1.00 23.23 C ATOM 957 O GLU A 58 -45.836 -2.919 19.026 1.00 3.21 O ATOM 958 CB GLU A 58 -47.146 -2.017 21.846 1.00 55.33 C ATOM 959 CG GLU A 58 -47.945 -0.964 21.095 1.00 20.22 C ATOM 960 CD GLU A 58 -49.350 -0.799 21.641 1.00 51.02 C ATOM 961 OE1 GLU A 58 -49.494 -0.653 22.873 1.00 51.02 O ATOM 962 OE2 GLU A 58 -50.305 -0.816 20.837 1.00 52.13 O ATOM 0 H GLU A 58 -45.644 -0.558 20.010 1.00 2.34 H new ATOM 0 HA GLU A 58 -45.082 -2.541 22.136 1.00 53.14 H new ATOM 0 HB2 GLU A 58 -47.668 -2.972 21.781 1.00 55.33 H new ATOM 0 HB3 GLU A 58 -47.107 -1.747 22.901 1.00 55.33 H new ATOM 0 HG2 GLU A 58 -47.423 -0.009 21.151 1.00 20.22 H new ATOM 0 HG3 GLU A 58 -47.998 -1.237 20.041 1.00 20.22 H new ATOM 969 N PRO A 59 -45.523 -4.507 20.593 1.00 63.24 N ATOM 970 CA PRO A 59 -45.358 -4.895 21.997 1.00 41.52 C ATOM 971 C PRO A 59 -44.023 -4.433 22.573 1.00 74.34 C ATOM 972 O PRO A 59 -43.786 -4.536 23.776 1.00 33.42 O ATOM 973 CB PRO A 59 -45.422 -6.423 21.953 1.00 64.31 C ATOM 974 CG PRO A 59 -44.989 -6.781 20.573 1.00 42.01 C ATOM 975 CD PRO A 59 -45.470 -5.666 19.686 1.00 74.31 C ATOM 0 HA PRO A 59 -46.115 -4.442 22.637 1.00 41.52 H new ATOM 0 HB2 PRO A 59 -44.767 -6.868 22.702 1.00 64.31 H new ATOM 0 HB3 PRO A 59 -46.430 -6.783 22.157 1.00 64.31 H new ATOM 0 HG2 PRO A 59 -43.905 -6.883 20.518 1.00 42.01 H new ATOM 0 HG3 PRO A 59 -45.415 -7.736 20.266 1.00 42.01 H new ATOM 0 HD2 PRO A 59 -44.789 -5.493 18.853 1.00 74.31 H new ATOM 0 HD3 PRO A 59 -46.448 -5.886 19.258 1.00 74.31 H new ATOM 983 N VAL A 60 -43.154 -3.924 21.705 1.00 13.34 N ATOM 984 CA VAL A 60 -41.844 -3.445 22.128 1.00 3.14 C ATOM 985 C VAL A 60 -41.471 -2.155 21.406 1.00 25.23 C ATOM 986 O VAL A 60 -42.165 -1.725 20.486 1.00 11.44 O ATOM 987 CB VAL A 60 -40.751 -4.499 21.871 1.00 60.44 C ATOM 988 CG1 VAL A 60 -41.067 -5.789 22.613 1.00 52.21 C ATOM 989 CG2 VAL A 60 -40.601 -4.756 20.379 1.00 64.42 C ATOM 0 H VAL A 60 -43.334 -3.833 20.705 1.00 13.34 H new ATOM 0 HA VAL A 60 -41.908 -3.253 23.199 1.00 3.14 H new ATOM 0 HB VAL A 60 -39.803 -4.114 22.248 1.00 60.44 H new ATOM 0 HG11 VAL A 60 -40.283 -6.522 22.419 1.00 52.21 H new ATOM 0 HG12 VAL A 60 -41.120 -5.589 23.683 1.00 52.21 H new ATOM 0 HG13 VAL A 60 -42.024 -6.182 22.269 1.00 52.21 H new ATOM 0 HG21 VAL A 60 -39.825 -5.503 20.215 1.00 64.42 H new ATOM 0 HG22 VAL A 60 -41.546 -5.120 19.976 1.00 64.42 H new ATOM 0 HG23 VAL A 60 -40.325 -3.829 19.876 1.00 64.42 H new ATOM 999 N GLU A 61 -40.369 -1.544 21.830 1.00 44.23 N ATOM 1000 CA GLU A 61 -39.903 -0.302 21.223 1.00 74.32 C ATOM 1001 C GLU A 61 -38.646 -0.541 20.392 1.00 41.32 C ATOM 1002 O GLU A 61 -38.274 0.285 19.558 1.00 11.11 O ATOM 1003 CB GLU A 61 -39.624 0.746 22.302 1.00 24.41 C ATOM 1004 CG GLU A 61 -38.746 1.890 21.826 1.00 45.51 C ATOM 1005 CD GLU A 61 -39.052 3.195 22.536 1.00 24.21 C ATOM 1006 OE1 GLU A 61 -38.580 3.374 23.678 1.00 31.14 O ATOM 1007 OE2 GLU A 61 -39.763 4.037 21.949 1.00 62.34 O ATOM 0 H GLU A 61 -39.783 -1.888 22.590 1.00 44.23 H new ATOM 0 HA GLU A 61 -40.688 0.067 20.564 1.00 74.32 H new ATOM 0 HB2 GLU A 61 -40.572 1.150 22.658 1.00 24.41 H new ATOM 0 HB3 GLU A 61 -39.145 0.261 23.153 1.00 24.41 H new ATOM 0 HG2 GLU A 61 -37.699 1.631 21.986 1.00 45.51 H new ATOM 0 HG3 GLU A 61 -38.881 2.024 20.753 1.00 45.51 H new ATOM 1014 N SER A 62 -37.995 -1.676 20.626 1.00 11.33 N ATOM 1015 CA SER A 62 -36.777 -2.022 19.903 1.00 1.34 C ATOM 1016 C SER A 62 -35.873 -0.803 19.747 1.00 1.35 C ATOM 1017 O SER A 62 -36.015 -0.027 18.802 1.00 33.31 O ATOM 1018 CB SER A 62 -37.121 -2.595 18.527 1.00 22.13 C ATOM 1019 OG SER A 62 -36.666 -3.932 18.404 1.00 41.55 O ATOM 0 H SER A 62 -38.291 -2.372 21.311 1.00 11.33 H new ATOM 0 HA SER A 62 -36.243 -2.777 20.480 1.00 1.34 H new ATOM 0 HB2 SER A 62 -38.200 -2.559 18.374 1.00 22.13 H new ATOM 0 HB3 SER A 62 -36.668 -1.980 17.750 1.00 22.13 H new ATOM 0 HG SER A 62 -37.257 -4.424 17.797 1.00 41.55 H new ATOM 1025 N SER A 63 -34.942 -0.641 20.683 1.00 52.45 N ATOM 1026 CA SER A 63 -34.016 0.486 20.652 1.00 35.35 C ATOM 1027 C SER A 63 -32.570 0.001 20.679 1.00 31.15 C ATOM 1028 O SER A 63 -32.166 -0.731 21.584 1.00 73.14 O ATOM 1029 CB SER A 63 -34.276 1.418 21.837 1.00 1.22 C ATOM 1030 OG SER A 63 -33.544 2.625 21.706 1.00 32.34 O ATOM 0 H SER A 63 -34.809 -1.275 21.471 1.00 52.45 H new ATOM 0 HA SER A 63 -34.179 1.035 19.724 1.00 35.35 H new ATOM 0 HB2 SER A 63 -35.341 1.640 21.902 1.00 1.22 H new ATOM 0 HB3 SER A 63 -33.997 0.919 22.765 1.00 1.22 H new ATOM 0 HG SER A 63 -33.728 3.204 22.475 1.00 32.34 H new ATOM 1036 N ILE A 64 -31.796 0.414 19.682 1.00 5.43 N ATOM 1037 CA ILE A 64 -30.394 0.024 19.592 1.00 72.24 C ATOM 1038 C ILE A 64 -29.522 1.200 19.167 1.00 41.30 C ATOM 1039 O ILE A 64 -29.947 2.054 18.387 1.00 24.50 O ATOM 1040 CB ILE A 64 -30.196 -1.134 18.595 1.00 3.24 C ATOM 1041 CG1 ILE A 64 -31.260 -2.211 18.813 1.00 73.00 C ATOM 1042 CG2 ILE A 64 -28.801 -1.723 18.739 1.00 24.45 C ATOM 1043 CD1 ILE A 64 -31.132 -3.386 17.869 1.00 33.44 C ATOM 0 H ILE A 64 -32.115 1.018 18.925 1.00 5.43 H new ATOM 0 HA ILE A 64 -30.094 -0.307 20.586 1.00 72.24 H new ATOM 0 HB ILE A 64 -30.302 -0.745 17.582 1.00 3.24 H new ATOM 0 HG12 ILE A 64 -31.196 -2.571 19.840 1.00 73.00 H new ATOM 0 HG13 ILE A 64 -32.247 -1.765 18.693 1.00 73.00 H new ATOM 0 HG21 ILE A 64 -28.676 -2.540 18.028 1.00 24.45 H new ATOM 0 HG22 ILE A 64 -28.058 -0.951 18.539 1.00 24.45 H new ATOM 0 HG23 ILE A 64 -28.668 -2.101 19.753 1.00 24.45 H new ATOM 0 HD11 ILE A 64 -31.919 -4.110 18.081 1.00 33.44 H new ATOM 0 HD12 ILE A 64 -31.226 -3.038 16.840 1.00 33.44 H new ATOM 0 HD13 ILE A 64 -30.159 -3.857 18.005 1.00 33.44 H new ATOM 1055 N THR A 65 -28.298 1.239 19.684 1.00 3.41 N ATOM 1056 CA THR A 65 -27.364 2.310 19.359 1.00 54.44 C ATOM 1057 C THR A 65 -26.215 1.796 18.500 1.00 23.31 C ATOM 1058 O THR A 65 -25.399 0.992 18.954 1.00 5.50 O ATOM 1059 CB THR A 65 -26.789 2.960 20.631 1.00 1.21 C ATOM 1060 OG1 THR A 65 -27.853 3.438 21.462 1.00 73.44 O ATOM 1061 CG2 THR A 65 -25.859 4.111 20.278 1.00 52.21 C ATOM 0 H THR A 65 -27.930 0.541 20.330 1.00 3.41 H new ATOM 0 HA THR A 65 -27.925 3.059 18.800 1.00 54.44 H new ATOM 0 HB THR A 65 -26.218 2.205 21.171 1.00 1.21 H new ATOM 0 HG1 THR A 65 -27.478 3.848 22.269 1.00 73.44 H new ATOM 0 HG21 THR A 65 -25.465 4.554 21.193 1.00 52.21 H new ATOM 0 HG22 THR A 65 -25.034 3.739 19.671 1.00 52.21 H new ATOM 0 HG23 THR A 65 -26.411 4.866 19.717 1.00 52.21 H new ATOM 1069 N LEU A 66 -26.155 2.263 17.258 1.00 61.20 N ATOM 1070 CA LEU A 66 -25.103 1.850 16.335 1.00 33.01 C ATOM 1071 C LEU A 66 -23.913 2.801 16.405 1.00 2.13 C ATOM 1072 O LEU A 66 -24.009 3.963 16.009 1.00 63.03 O ATOM 1073 CB LEU A 66 -25.644 1.797 14.905 1.00 33.33 C ATOM 1074 CG LEU A 66 -25.663 0.417 14.246 1.00 42.34 C ATOM 1075 CD1 LEU A 66 -26.131 -0.640 15.233 1.00 61.41 C ATOM 1076 CD2 LEU A 66 -26.553 0.428 13.011 1.00 4.41 C ATOM 0 H LEU A 66 -26.822 2.928 16.867 1.00 61.20 H new ATOM 0 HA LEU A 66 -24.767 0.855 16.627 1.00 33.01 H new ATOM 0 HB2 LEU A 66 -26.660 2.191 14.907 1.00 33.33 H new ATOM 0 HB3 LEU A 66 -25.045 2.465 14.286 1.00 33.33 H new ATOM 0 HG LEU A 66 -24.648 0.170 13.936 1.00 42.34 H new ATOM 0 HD11 LEU A 66 -26.138 -1.615 14.746 1.00 61.41 H new ATOM 0 HD12 LEU A 66 -25.454 -0.666 16.087 1.00 61.41 H new ATOM 0 HD13 LEU A 66 -27.137 -0.398 15.575 1.00 61.41 H new ATOM 0 HD21 LEU A 66 -26.555 -0.562 12.555 1.00 4.41 H new ATOM 0 HD22 LEU A 66 -27.570 0.697 13.298 1.00 4.41 H new ATOM 0 HD23 LEU A 66 -26.173 1.157 12.295 1.00 4.41 H new ATOM 1088 N HIS A 67 -22.790 2.300 16.911 1.00 73.43 N ATOM 1089 CA HIS A 67 -21.579 3.104 17.030 1.00 14.12 C ATOM 1090 C HIS A 67 -20.559 2.711 15.966 1.00 22.15 C ATOM 1091 O HIS A 67 -19.978 1.627 16.020 1.00 63.23 O ATOM 1092 CB HIS A 67 -20.970 2.942 18.423 1.00 2.40 C ATOM 1093 CG HIS A 67 -19.485 3.136 18.453 1.00 0.21 C ATOM 1094 ND1 HIS A 67 -18.483 2.264 18.715 1.00 44.42 N flip ATOM 1095 CD2 HIS A 67 -18.879 4.347 18.195 1.00 55.01 C flip ATOM 1096 CE1 HIS A 67 -17.302 2.957 18.610 1.00 74.53 C flip ATOM 1097 NE2 HIS A 67 -17.568 4.212 18.295 1.00 74.32 N flip ATOM 0 H HIS A 67 -22.694 1.341 17.245 1.00 73.43 H new ATOM 0 HA HIS A 67 -21.849 4.149 16.879 1.00 14.12 H new ATOM 0 HB2 HIS A 67 -21.436 3.658 19.100 1.00 2.40 H new ATOM 0 HB3 HIS A 67 -21.206 1.947 18.800 1.00 2.40 H new ATOM 0 HD2 HIS A 67 -19.395 5.263 17.949 1.00 55.01 H new ATOM 0 HE1 HIS A 67 -16.316 2.543 18.761 1.00 74.53 H new ATOM 0 HE2 HIS A 67 -16.879 4.951 18.153 1.00 74.32 H new ATOM 1105 N PHE A 68 -20.346 3.599 15.001 1.00 71.43 N ATOM 1106 CA PHE A 68 -19.397 3.344 13.923 1.00 31.53 C ATOM 1107 C PHE A 68 -18.106 4.127 14.139 1.00 2.50 C ATOM 1108 O PHE A 68 -18.132 5.282 14.564 1.00 42.12 O ATOM 1109 CB PHE A 68 -20.013 3.716 12.573 1.00 35.33 C ATOM 1110 CG PHE A 68 -21.455 4.127 12.666 1.00 50.45 C ATOM 1111 CD1 PHE A 68 -21.804 5.364 13.183 1.00 13.22 C ATOM 1112 CD2 PHE A 68 -22.461 3.277 12.235 1.00 1.11 C ATOM 1113 CE1 PHE A 68 -23.130 5.746 13.269 1.00 1.32 C ATOM 1114 CE2 PHE A 68 -23.788 3.654 12.318 1.00 20.12 C ATOM 1115 CZ PHE A 68 -24.123 4.889 12.837 1.00 10.40 C ATOM 0 H PHE A 68 -20.817 4.502 14.943 1.00 71.43 H new ATOM 0 HA PHE A 68 -19.161 2.280 13.925 1.00 31.53 H new ATOM 0 HB2 PHE A 68 -19.439 4.531 12.133 1.00 35.33 H new ATOM 0 HB3 PHE A 68 -19.929 2.865 11.897 1.00 35.33 H new ATOM 0 HD1 PHE A 68 -21.031 6.038 13.523 1.00 13.22 H new ATOM 0 HD2 PHE A 68 -22.205 2.309 11.830 1.00 1.11 H new ATOM 0 HE1 PHE A 68 -23.389 6.713 13.673 1.00 1.32 H new ATOM 0 HE2 PHE A 68 -24.563 2.983 11.977 1.00 20.12 H new ATOM 0 HZ PHE A 68 -25.160 5.184 12.905 1.00 10.40 H new ATOM 1125 N ALA A 69 -16.978 3.490 13.843 1.00 5.45 N ATOM 1126 CA ALA A 69 -15.676 4.127 14.003 1.00 13.43 C ATOM 1127 C ALA A 69 -14.940 4.213 12.671 1.00 43.32 C ATOM 1128 O ALA A 69 -14.812 3.219 11.956 1.00 15.52 O ATOM 1129 CB ALA A 69 -14.839 3.370 15.023 1.00 34.42 C ATOM 0 H ALA A 69 -16.939 2.533 13.491 1.00 5.45 H new ATOM 0 HA ALA A 69 -15.838 5.142 14.365 1.00 13.43 H new ATOM 0 HB1 ALA A 69 -13.870 3.857 15.132 1.00 34.42 H new ATOM 0 HB2 ALA A 69 -15.353 3.366 15.984 1.00 34.42 H new ATOM 0 HB3 ALA A 69 -14.693 2.344 14.685 1.00 34.42 H new ATOM 1135 N MET A 70 -14.457 5.407 12.343 1.00 52.34 N ATOM 1136 CA MET A 70 -13.733 5.622 11.095 1.00 23.22 C ATOM 1137 C MET A 70 -12.234 5.419 11.295 1.00 12.12 C ATOM 1138 O MET A 70 -11.524 6.333 11.717 1.00 61.43 O ATOM 1139 CB MET A 70 -14.002 7.029 10.560 1.00 42.52 C ATOM 1140 CG MET A 70 -15.478 7.387 10.505 1.00 33.03 C ATOM 1141 SD MET A 70 -16.405 6.340 9.367 1.00 42.04 S ATOM 1142 CE MET A 70 -17.996 7.163 9.368 1.00 24.03 C ATOM 0 H MET A 70 -14.554 6.240 12.924 1.00 52.34 H new ATOM 0 HA MET A 70 -14.087 4.891 10.368 1.00 23.22 H new ATOM 0 HB2 MET A 70 -13.484 7.753 11.189 1.00 42.52 H new ATOM 0 HB3 MET A 70 -13.578 7.115 9.560 1.00 42.52 H new ATOM 0 HG2 MET A 70 -15.906 7.300 11.503 1.00 33.03 H new ATOM 0 HG3 MET A 70 -15.584 8.429 10.202 1.00 33.03 H new ATOM 0 HE1 MET A 70 -18.788 6.424 9.493 1.00 24.03 H new ATOM 0 HE2 MET A 70 -18.035 7.879 10.189 1.00 24.03 H new ATOM 0 HE3 MET A 70 -18.135 7.687 8.422 1.00 24.03 H new ATOM 1152 N THR A 71 -11.758 4.216 10.990 1.00 33.34 N ATOM 1153 CA THR A 71 -10.345 3.893 11.138 1.00 22.11 C ATOM 1154 C THR A 71 -9.469 4.928 10.442 1.00 63.03 C ATOM 1155 O THR A 71 -9.916 5.664 9.562 1.00 10.53 O ATOM 1156 CB THR A 71 -10.024 2.498 10.567 1.00 13.54 C ATOM 1157 OG1 THR A 71 -10.942 2.177 9.516 1.00 23.20 O ATOM 1158 CG2 THR A 71 -10.100 1.438 11.656 1.00 51.05 C ATOM 0 H THR A 71 -12.331 3.449 10.639 1.00 33.34 H new ATOM 0 HA THR A 71 -10.130 3.898 12.207 1.00 22.11 H new ATOM 0 HB THR A 71 -9.009 2.516 10.170 1.00 13.54 H new ATOM 0 HG1 THR A 71 -10.449 1.815 8.750 1.00 23.20 H new ATOM 0 HG21 THR A 71 -9.870 0.461 11.230 1.00 51.05 H new ATOM 0 HG22 THR A 71 -9.380 1.670 12.441 1.00 51.05 H new ATOM 0 HG23 THR A 71 -11.105 1.422 12.078 1.00 51.05 H new ATOM 1166 N PRO A 72 -8.190 4.987 10.841 1.00 2.25 N ATOM 1167 CA PRO A 72 -7.224 5.928 10.267 1.00 4.22 C ATOM 1168 C PRO A 72 -6.860 5.580 8.828 1.00 61.40 C ATOM 1169 O PRO A 72 -6.015 6.233 8.216 1.00 75.32 O ATOM 1170 CB PRO A 72 -6.002 5.782 11.178 1.00 41.22 C ATOM 1171 CG PRO A 72 -6.115 4.410 11.747 1.00 55.20 C ATOM 1172 CD PRO A 72 -7.588 4.140 11.885 1.00 72.44 C ATOM 0 HA PRO A 72 -7.621 6.942 10.222 1.00 4.22 H new ATOM 0 HB2 PRO A 72 -5.074 5.903 10.618 1.00 41.22 H new ATOM 0 HB3 PRO A 72 -6.001 6.538 11.964 1.00 41.22 H new ATOM 0 HG2 PRO A 72 -5.643 3.676 11.094 1.00 55.20 H new ATOM 0 HG3 PRO A 72 -5.614 4.345 12.713 1.00 55.20 H new ATOM 0 HD2 PRO A 72 -7.819 3.086 11.730 1.00 72.44 H new ATOM 0 HD3 PRO A 72 -7.954 4.404 12.877 1.00 72.44 H new ATOM 1180 N MET A 73 -7.503 4.547 8.294 1.00 72.44 N ATOM 1181 CA MET A 73 -7.248 4.113 6.925 1.00 63.11 C ATOM 1182 C MET A 73 -8.516 4.197 6.082 1.00 14.02 C ATOM 1183 O MET A 73 -8.454 4.340 4.861 1.00 65.31 O ATOM 1184 CB MET A 73 -6.708 2.682 6.913 1.00 23.42 C ATOM 1185 CG MET A 73 -5.268 2.571 7.389 1.00 13.21 C ATOM 1186 SD MET A 73 -4.147 2.019 6.089 1.00 34.33 S ATOM 1187 CE MET A 73 -4.133 3.456 5.021 1.00 3.42 C ATOM 0 H MET A 73 -8.204 3.995 8.788 1.00 72.44 H new ATOM 0 HA MET A 73 -6.501 4.779 6.493 1.00 63.11 H new ATOM 0 HB2 MET A 73 -7.340 2.059 7.546 1.00 23.42 H new ATOM 0 HB3 MET A 73 -6.779 2.284 5.901 1.00 23.42 H new ATOM 0 HG2 MET A 73 -4.937 3.540 7.761 1.00 13.21 H new ATOM 0 HG3 MET A 73 -5.219 1.874 8.226 1.00 13.21 H new ATOM 0 HE1 MET A 73 -4.306 3.145 3.991 1.00 3.42 H new ATOM 0 HE2 MET A 73 -4.919 4.146 5.329 1.00 3.42 H new ATOM 0 HE3 MET A 73 -3.166 3.953 5.093 1.00 3.42 H new ATOM 1197 N TYR A 74 -9.666 4.107 6.742 1.00 51.45 N ATOM 1198 CA TYR A 74 -10.949 4.171 6.052 1.00 34.33 C ATOM 1199 C TYR A 74 -10.993 5.353 5.089 1.00 65.44 C ATOM 1200 O TYR A 74 -10.361 6.387 5.305 1.00 11.05 O ATOM 1201 CB TYR A 74 -12.091 4.282 7.065 1.00 62.35 C ATOM 1202 CG TYR A 74 -13.294 5.033 6.541 1.00 43.33 C ATOM 1203 CD1 TYR A 74 -13.210 6.384 6.227 1.00 15.40 C ATOM 1204 CD2 TYR A 74 -14.513 4.393 6.360 1.00 33.13 C ATOM 1205 CE1 TYR A 74 -14.307 7.075 5.749 1.00 41.52 C ATOM 1206 CE2 TYR A 74 -15.615 5.076 5.881 1.00 25.43 C ATOM 1207 CZ TYR A 74 -15.506 6.417 5.577 1.00 35.42 C ATOM 1208 OH TYR A 74 -16.602 7.101 5.101 1.00 25.41 O ATOM 0 H TYR A 74 -9.736 3.990 7.753 1.00 51.45 H new ATOM 0 HA TYR A 74 -11.069 3.253 5.477 1.00 34.33 H new ATOM 0 HB2 TYR A 74 -12.400 3.280 7.363 1.00 62.35 H new ATOM 0 HB3 TYR A 74 -11.723 4.782 7.961 1.00 62.35 H new ATOM 0 HD1 TYR A 74 -12.272 6.903 6.359 1.00 15.40 H new ATOM 0 HD2 TYR A 74 -14.602 3.343 6.598 1.00 33.13 H new ATOM 0 HE1 TYR A 74 -14.225 8.125 5.511 1.00 41.52 H new ATOM 0 HE2 TYR A 74 -16.556 4.563 5.746 1.00 25.43 H new ATOM 0 HH TYR A 74 -16.336 8.010 4.848 1.00 25.41 H new ATOM 1218 N PRO A 75 -11.756 5.197 3.997 1.00 15.01 N ATOM 1219 CA PRO A 75 -12.512 3.970 3.728 1.00 11.01 C ATOM 1220 C PRO A 75 -11.605 2.795 3.380 1.00 23.14 C ATOM 1221 O PRO A 75 -12.043 1.644 3.360 1.00 1.44 O ATOM 1222 CB PRO A 75 -13.384 4.346 2.527 1.00 4.32 C ATOM 1223 CG PRO A 75 -12.641 5.445 1.850 1.00 43.54 C ATOM 1224 CD PRO A 75 -11.941 6.207 2.941 1.00 20.23 C ATOM 0 HA PRO A 75 -13.080 3.643 4.599 1.00 11.01 H new ATOM 0 HB2 PRO A 75 -13.528 3.496 1.860 1.00 4.32 H new ATOM 0 HB3 PRO A 75 -14.374 4.674 2.844 1.00 4.32 H new ATOM 0 HG2 PRO A 75 -11.925 5.047 1.131 1.00 43.54 H new ATOM 0 HG3 PRO A 75 -13.321 6.093 1.297 1.00 43.54 H new ATOM 0 HD2 PRO A 75 -10.988 6.612 2.601 1.00 20.23 H new ATOM 0 HD3 PRO A 75 -12.539 7.049 3.290 1.00 20.23 H new ATOM 1232 N TYR A 76 -10.339 3.091 3.108 1.00 50.55 N ATOM 1233 CA TYR A 76 -9.370 2.059 2.759 1.00 52.14 C ATOM 1234 C TYR A 76 -9.648 0.770 3.525 1.00 33.31 C ATOM 1235 O TYR A 76 -9.690 -0.316 2.945 1.00 42.20 O ATOM 1236 CB TYR A 76 -7.949 2.544 3.052 1.00 73.41 C ATOM 1237 CG TYR A 76 -6.887 1.825 2.251 1.00 31.43 C ATOM 1238 CD1 TYR A 76 -6.750 0.444 2.325 1.00 72.24 C ATOM 1239 CD2 TYR A 76 -6.020 2.526 1.423 1.00 61.33 C ATOM 1240 CE1 TYR A 76 -5.781 -0.218 1.596 1.00 43.44 C ATOM 1241 CE2 TYR A 76 -5.049 1.873 0.689 1.00 64.30 C ATOM 1242 CZ TYR A 76 -4.933 0.501 0.779 1.00 42.21 C ATOM 1243 OH TYR A 76 -3.966 -0.153 0.051 1.00 44.12 O ATOM 0 H TYR A 76 -9.960 4.038 3.122 1.00 50.55 H new ATOM 0 HA TYR A 76 -9.464 1.854 1.693 1.00 52.14 H new ATOM 0 HB2 TYR A 76 -7.888 3.612 2.844 1.00 73.41 H new ATOM 0 HB3 TYR A 76 -7.741 2.414 4.114 1.00 73.41 H new ATOM 0 HD1 TYR A 76 -7.413 -0.122 2.963 1.00 72.24 H new ATOM 0 HD2 TYR A 76 -6.106 3.600 1.352 1.00 61.33 H new ATOM 0 HE1 TYR A 76 -5.688 -1.292 1.665 1.00 43.44 H new ATOM 0 HE2 TYR A 76 -4.384 2.433 0.048 1.00 64.30 H new ATOM 0 HH TYR A 76 -3.455 0.498 -0.473 1.00 44.12 H new ATOM 1253 N THR A 77 -9.839 0.897 4.835 1.00 71.23 N ATOM 1254 CA THR A 77 -10.113 -0.256 5.683 1.00 62.53 C ATOM 1255 C THR A 77 -11.564 -0.264 6.149 1.00 73.24 C ATOM 1256 O THR A 77 -12.290 0.712 5.964 1.00 75.12 O ATOM 1257 CB THR A 77 -9.190 -0.279 6.916 1.00 63.04 C ATOM 1258 OG1 THR A 77 -9.454 0.857 7.746 1.00 31.25 O ATOM 1259 CG2 THR A 77 -7.727 -0.278 6.497 1.00 53.24 C ATOM 0 H THR A 77 -9.809 1.788 5.331 1.00 71.23 H new ATOM 0 HA THR A 77 -9.923 -1.144 5.079 1.00 62.53 H new ATOM 0 HB THR A 77 -9.391 -1.192 7.476 1.00 63.04 H new ATOM 0 HG1 THR A 77 -8.865 0.834 8.529 1.00 31.25 H new ATOM 0 HG21 THR A 77 -7.094 -0.294 7.384 1.00 53.24 H new ATOM 0 HG22 THR A 77 -7.522 -1.159 5.889 1.00 53.24 H new ATOM 0 HG23 THR A 77 -7.515 0.620 5.917 1.00 53.24 H new ATOM 1267 N ALA A 78 -11.981 -1.372 6.754 1.00 5.53 N ATOM 1268 CA ALA A 78 -13.345 -1.505 7.249 1.00 11.43 C ATOM 1269 C ALA A 78 -13.458 -1.012 8.688 1.00 43.41 C ATOM 1270 O ALA A 78 -12.681 -1.394 9.563 1.00 3.31 O ATOM 1271 CB ALA A 78 -13.805 -2.952 7.148 1.00 44.54 C ATOM 0 H ALA A 78 -11.393 -2.190 6.913 1.00 5.53 H new ATOM 0 HA ALA A 78 -13.992 -0.885 6.628 1.00 11.43 H new ATOM 0 HB1 ALA A 78 -14.826 -3.036 7.521 1.00 44.54 H new ATOM 0 HB2 ALA A 78 -13.772 -3.272 6.107 1.00 44.54 H new ATOM 0 HB3 ALA A 78 -13.147 -3.585 7.744 1.00 44.54 H new ATOM 1277 N PRO A 79 -14.447 -0.142 8.940 1.00 11.14 N ATOM 1278 CA PRO A 79 -14.684 0.422 10.273 1.00 54.25 C ATOM 1279 C PRO A 79 -15.214 -0.616 11.256 1.00 63.11 C ATOM 1280 O PRO A 79 -15.409 -1.778 10.900 1.00 53.41 O ATOM 1281 CB PRO A 79 -15.738 1.503 10.017 1.00 2.15 C ATOM 1282 CG PRO A 79 -16.443 1.061 8.782 1.00 32.42 C ATOM 1283 CD PRO A 79 -15.411 0.357 7.945 1.00 3.32 C ATOM 0 HA PRO A 79 -13.767 0.799 10.725 1.00 54.25 H new ATOM 0 HB2 PRO A 79 -16.428 1.590 10.857 1.00 2.15 H new ATOM 0 HB3 PRO A 79 -15.277 2.481 9.881 1.00 2.15 H new ATOM 0 HG2 PRO A 79 -17.271 0.394 9.023 1.00 32.42 H new ATOM 0 HG3 PRO A 79 -16.864 1.912 8.247 1.00 32.42 H new ATOM 0 HD2 PRO A 79 -15.849 -0.457 7.367 1.00 3.32 H new ATOM 0 HD3 PRO A 79 -14.940 1.035 7.234 1.00 3.32 H new ATOM 1291 N GLU A 80 -15.444 -0.189 12.494 1.00 63.14 N ATOM 1292 CA GLU A 80 -15.950 -1.084 13.528 1.00 54.42 C ATOM 1293 C GLU A 80 -17.323 -0.629 14.016 1.00 42.20 C ATOM 1294 O GLU A 80 -17.554 0.562 14.229 1.00 72.25 O ATOM 1295 CB GLU A 80 -14.973 -1.145 14.704 1.00 72.04 C ATOM 1296 CG GLU A 80 -15.632 -1.505 16.025 1.00 53.24 C ATOM 1297 CD GLU A 80 -14.784 -2.440 16.864 1.00 31.21 C ATOM 1298 OE1 GLU A 80 -14.729 -3.645 16.539 1.00 44.51 O ATOM 1299 OE2 GLU A 80 -14.175 -1.967 17.847 1.00 73.04 O ATOM 0 H GLU A 80 -15.288 0.770 12.805 1.00 63.14 H new ATOM 0 HA GLU A 80 -16.048 -2.080 13.095 1.00 54.42 H new ATOM 0 HB2 GLU A 80 -14.197 -1.878 14.483 1.00 72.04 H new ATOM 0 HB3 GLU A 80 -14.479 -0.179 14.806 1.00 72.04 H new ATOM 0 HG2 GLU A 80 -15.828 -0.593 16.589 1.00 53.24 H new ATOM 0 HG3 GLU A 80 -16.597 -1.973 15.830 1.00 53.24 H new ATOM 1306 N ILE A 81 -18.229 -1.585 14.191 1.00 43.13 N ATOM 1307 CA ILE A 81 -19.577 -1.283 14.654 1.00 74.31 C ATOM 1308 C ILE A 81 -19.929 -2.100 15.893 1.00 4.20 C ATOM 1309 O ILE A 81 -19.525 -3.255 16.021 1.00 2.05 O ATOM 1310 CB ILE A 81 -20.624 -1.559 13.558 1.00 41.40 C ATOM 1311 CG1 ILE A 81 -20.109 -1.079 12.199 1.00 15.11 C ATOM 1312 CG2 ILE A 81 -21.941 -0.880 13.901 1.00 15.13 C ATOM 1313 CD1 ILE A 81 -20.129 0.425 12.042 1.00 11.43 C ATOM 0 H ILE A 81 -18.054 -2.575 14.019 1.00 43.13 H new ATOM 0 HA ILE A 81 -19.594 -0.222 14.904 1.00 74.31 H new ATOM 0 HB ILE A 81 -20.796 -2.634 13.502 1.00 41.40 H new ATOM 0 HG12 ILE A 81 -19.089 -1.437 12.059 1.00 15.11 H new ATOM 0 HG13 ILE A 81 -20.715 -1.526 11.411 1.00 15.11 H new ATOM 0 HG21 ILE A 81 -22.671 -1.084 13.117 1.00 15.13 H new ATOM 0 HG22 ILE A 81 -22.312 -1.264 14.851 1.00 15.13 H new ATOM 0 HG23 ILE A 81 -21.786 0.196 13.981 1.00 15.13 H new ATOM 0 HD11 ILE A 81 -19.751 0.693 11.055 1.00 11.43 H new ATOM 0 HD12 ILE A 81 -21.151 0.789 12.150 1.00 11.43 H new ATOM 0 HD13 ILE A 81 -19.500 0.879 12.807 1.00 11.43 H new ATOM 1325 N GLU A 82 -20.685 -1.491 16.802 1.00 65.15 N ATOM 1326 CA GLU A 82 -21.091 -2.163 18.030 1.00 1.02 C ATOM 1327 C GLU A 82 -22.490 -1.724 18.454 1.00 44.45 C ATOM 1328 O GLU A 82 -22.849 -0.553 18.328 1.00 53.20 O ATOM 1329 CB GLU A 82 -20.092 -1.871 19.152 1.00 64.43 C ATOM 1330 CG GLU A 82 -20.502 -0.715 20.048 1.00 75.04 C ATOM 1331 CD GLU A 82 -19.329 -0.108 20.792 1.00 31.53 C ATOM 1332 OE1 GLU A 82 -18.312 -0.811 20.968 1.00 23.22 O ATOM 1333 OE2 GLU A 82 -19.428 1.068 21.199 1.00 21.22 O ATOM 0 H GLU A 82 -21.028 -0.535 16.711 1.00 65.15 H new ATOM 0 HA GLU A 82 -21.108 -3.236 17.838 1.00 1.02 H new ATOM 0 HB2 GLU A 82 -19.971 -2.767 19.761 1.00 64.43 H new ATOM 0 HB3 GLU A 82 -19.119 -1.651 18.712 1.00 64.43 H new ATOM 0 HG2 GLU A 82 -20.982 0.055 19.444 1.00 75.04 H new ATOM 0 HG3 GLU A 82 -21.243 -1.063 20.768 1.00 75.04 H new ATOM 1340 N PHE A 83 -23.275 -2.671 18.955 1.00 24.31 N ATOM 1341 CA PHE A 83 -24.635 -2.384 19.396 1.00 44.32 C ATOM 1342 C PHE A 83 -24.681 -2.155 20.904 1.00 42.23 C ATOM 1343 O PHE A 83 -23.995 -2.834 21.668 1.00 31.30 O ATOM 1344 CB PHE A 83 -25.571 -3.532 19.014 1.00 63.10 C ATOM 1345 CG PHE A 83 -25.301 -4.097 17.649 1.00 64.13 C ATOM 1346 CD1 PHE A 83 -25.802 -3.476 16.516 1.00 65.10 C ATOM 1347 CD2 PHE A 83 -24.546 -5.249 17.498 1.00 32.53 C ATOM 1348 CE1 PHE A 83 -25.555 -3.993 15.258 1.00 25.11 C ATOM 1349 CE2 PHE A 83 -24.296 -5.771 16.243 1.00 5.21 C ATOM 1350 CZ PHE A 83 -24.801 -5.143 15.122 1.00 53.33 C ATOM 0 H PHE A 83 -22.993 -3.645 19.066 1.00 24.31 H new ATOM 0 HA PHE A 83 -24.967 -1.473 18.898 1.00 44.32 H new ATOM 0 HB2 PHE A 83 -25.477 -4.328 19.753 1.00 63.10 H new ATOM 0 HB3 PHE A 83 -26.601 -3.179 19.055 1.00 63.10 H new ATOM 0 HD1 PHE A 83 -26.392 -2.577 16.617 1.00 65.10 H new ATOM 0 HD2 PHE A 83 -24.148 -5.745 18.371 1.00 32.53 H new ATOM 0 HE1 PHE A 83 -25.951 -3.499 14.383 1.00 25.11 H new ATOM 0 HE2 PHE A 83 -23.706 -6.670 16.139 1.00 5.21 H new ATOM 0 HZ PHE A 83 -24.607 -5.550 14.141 1.00 53.33 H new ATOM 1360 N LYS A 84 -25.494 -1.192 21.325 1.00 22.23 N ATOM 1361 CA LYS A 84 -25.632 -0.872 22.741 1.00 21.11 C ATOM 1362 C LYS A 84 -27.094 -0.930 23.172 1.00 40.31 C ATOM 1363 O LYS A 84 -27.990 -1.075 22.342 1.00 40.45 O ATOM 1364 CB LYS A 84 -25.059 0.517 23.029 1.00 4.32 C ATOM 1365 CG LYS A 84 -23.957 0.932 22.069 1.00 72.11 C ATOM 1366 CD LYS A 84 -22.707 0.088 22.256 1.00 13.54 C ATOM 1367 CE LYS A 84 -22.332 -0.034 23.725 1.00 14.54 C ATOM 1368 NZ LYS A 84 -20.959 -0.582 23.904 1.00 53.42 N ATOM 0 H LYS A 84 -26.067 -0.619 20.706 1.00 22.23 H new ATOM 0 HA LYS A 84 -25.074 -1.614 23.312 1.00 21.11 H new ATOM 0 HB2 LYS A 84 -25.865 1.250 22.983 1.00 4.32 H new ATOM 0 HB3 LYS A 84 -24.669 0.536 24.047 1.00 4.32 H new ATOM 0 HG2 LYS A 84 -24.312 0.836 21.043 1.00 72.11 H new ATOM 0 HG3 LYS A 84 -23.714 1.983 22.225 1.00 72.11 H new ATOM 0 HD2 LYS A 84 -22.871 -0.905 21.838 1.00 13.54 H new ATOM 0 HD3 LYS A 84 -21.880 0.534 21.704 1.00 13.54 H new ATOM 0 HE2 LYS A 84 -22.396 0.946 24.199 1.00 14.54 H new ATOM 0 HE3 LYS A 84 -23.050 -0.680 24.230 1.00 14.54 H new ATOM 0 HZ1 LYS A 84 -20.742 -0.649 24.919 1.00 53.42 H new ATOM 0 HZ2 LYS A 84 -20.904 -1.528 23.474 1.00 53.42 H new ATOM 0 HZ3 LYS A 84 -20.271 0.048 23.444 1.00 53.42 H new ATOM 1382 N ASN A 85 -27.327 -0.814 24.475 1.00 12.22 N ATOM 1383 CA ASN A 85 -28.681 -0.852 25.016 1.00 52.22 C ATOM 1384 C ASN A 85 -29.349 -2.190 24.715 1.00 35.03 C ATOM 1385 O ASN A 85 -29.487 -3.039 25.596 1.00 32.11 O ATOM 1386 CB ASN A 85 -29.517 0.290 24.434 1.00 0.34 C ATOM 1387 CG ASN A 85 -29.101 1.645 24.975 1.00 65.32 C ATOM 1388 OD1 ASN A 85 -27.849 2.018 24.735 1.00 52.01 O flip ATOM 1389 ND2 ASN A 85 -29.895 2.347 25.600 1.00 22.41 N flip ATOM 0 H ASN A 85 -26.596 -0.693 25.176 1.00 12.22 H new ATOM 0 HA ASN A 85 -28.617 -0.733 26.098 1.00 52.22 H new ATOM 0 HB2 ASN A 85 -29.421 0.290 23.348 1.00 0.34 H new ATOM 0 HB3 ASN A 85 -30.569 0.119 24.661 1.00 0.34 H new ATOM 0 HD21 ASN A 85 -30.848 2.020 25.761 1.00 22.41 H new ATOM 0 HD22 ASN A 85 -29.601 3.256 25.957 1.00 22.41 H new ATOM 1396 N VAL A 86 -29.763 -2.372 23.465 1.00 44.50 N ATOM 1397 CA VAL A 86 -30.415 -3.607 23.047 1.00 1.30 C ATOM 1398 C VAL A 86 -31.375 -4.111 24.118 1.00 14.43 C ATOM 1399 O VAL A 86 -30.979 -4.841 25.026 1.00 74.41 O ATOM 1400 CB VAL A 86 -29.384 -4.709 22.738 1.00 53.34 C ATOM 1401 CG1 VAL A 86 -28.791 -4.511 21.351 1.00 4.32 C ATOM 1402 CG2 VAL A 86 -28.292 -4.729 23.796 1.00 12.24 C ATOM 0 H VAL A 86 -29.658 -1.679 22.724 1.00 44.50 H new ATOM 0 HA VAL A 86 -30.975 -3.378 22.140 1.00 1.30 H new ATOM 0 HB VAL A 86 -29.892 -5.673 22.756 1.00 53.34 H new ATOM 0 HG11 VAL A 86 -28.065 -5.299 21.150 1.00 4.32 H new ATOM 0 HG12 VAL A 86 -29.586 -4.552 20.606 1.00 4.32 H new ATOM 0 HG13 VAL A 86 -28.297 -3.541 21.302 1.00 4.32 H new ATOM 0 HG21 VAL A 86 -27.573 -5.514 23.562 1.00 12.24 H new ATOM 0 HG22 VAL A 86 -27.784 -3.765 23.813 1.00 12.24 H new ATOM 0 HG23 VAL A 86 -28.735 -4.923 24.773 1.00 12.24 H new ATOM 1412 N GLN A 87 -32.639 -3.715 24.005 1.00 33.34 N ATOM 1413 CA GLN A 87 -33.657 -4.127 24.965 1.00 23.33 C ATOM 1414 C GLN A 87 -34.443 -5.326 24.445 1.00 63.04 C ATOM 1415 O GLN A 87 -34.100 -6.474 24.724 1.00 0.12 O ATOM 1416 CB GLN A 87 -34.609 -2.967 25.260 1.00 20.25 C ATOM 1417 CG GLN A 87 -34.592 -1.880 24.198 1.00 62.43 C ATOM 1418 CD GLN A 87 -35.497 -0.714 24.541 1.00 11.11 C ATOM 1419 OE1 GLN A 87 -36.076 -0.093 23.520 1.00 24.53 O flip ATOM 1420 NE2 GLN A 87 -35.675 -0.374 25.711 1.00 3.30 N flip ATOM 0 H GLN A 87 -32.982 -3.110 23.259 1.00 33.34 H new ATOM 0 HA GLN A 87 -33.154 -4.418 25.887 1.00 23.33 H new ATOM 0 HB2 GLN A 87 -35.623 -3.355 25.354 1.00 20.25 H new ATOM 0 HB3 GLN A 87 -34.345 -2.527 26.222 1.00 20.25 H new ATOM 0 HG2 GLN A 87 -33.572 -1.518 24.071 1.00 62.43 H new ATOM 0 HG3 GLN A 87 -34.901 -2.306 23.243 1.00 62.43 H new ATOM 0 HE21 GLN A 87 -35.210 -0.879 26.465 1.00 3.30 H new ATOM 0 HE22 GLN A 87 -36.287 0.413 25.926 1.00 3.30 H new ATOM 1429 N ASN A 88 -35.499 -5.051 23.686 1.00 3.30 N ATOM 1430 CA ASN A 88 -36.334 -6.107 23.127 1.00 74.12 C ATOM 1431 C ASN A 88 -35.479 -7.187 22.471 1.00 35.32 C ATOM 1432 O ASN A 88 -35.637 -8.375 22.753 1.00 72.30 O ATOM 1433 CB ASN A 88 -37.313 -5.525 22.105 1.00 44.24 C ATOM 1434 CG ASN A 88 -37.596 -6.484 20.964 1.00 0.43 C ATOM 1435 OD1 ASN A 88 -38.619 -7.313 21.130 1.00 41.42 O flip ATOM 1436 ND2 ASN A 88 -36.903 -6.478 19.947 1.00 74.43 N flip ATOM 0 H ASN A 88 -35.796 -4.106 23.444 1.00 3.30 H new ATOM 0 HA ASN A 88 -36.897 -6.560 23.943 1.00 74.12 H new ATOM 0 HB2 ASN A 88 -38.248 -5.273 22.605 1.00 44.24 H new ATOM 0 HB3 ASN A 88 -36.906 -4.597 21.704 1.00 44.24 H new ATOM 0 HD21 ASN A 88 -36.126 -5.822 19.863 1.00 74.43 H new ATOM 0 HD22 ASN A 88 -37.106 -7.129 19.188 1.00 74.43 H new ATOM 1443 N VAL A 89 -34.573 -6.766 21.595 1.00 22.21 N ATOM 1444 CA VAL A 89 -33.691 -7.697 20.900 1.00 11.42 C ATOM 1445 C VAL A 89 -32.845 -8.493 21.887 1.00 32.22 C ATOM 1446 O VAL A 89 -32.292 -7.937 22.835 1.00 23.55 O ATOM 1447 CB VAL A 89 -32.759 -6.961 19.919 1.00 12.44 C ATOM 1448 CG1 VAL A 89 -32.255 -5.663 20.533 1.00 75.11 C ATOM 1449 CG2 VAL A 89 -31.597 -7.856 19.516 1.00 52.41 C ATOM 0 H VAL A 89 -34.430 -5.786 21.349 1.00 22.21 H new ATOM 0 HA VAL A 89 -34.330 -8.380 20.340 1.00 11.42 H new ATOM 0 HB VAL A 89 -33.326 -6.714 19.022 1.00 12.44 H new ATOM 0 HG11 VAL A 89 -31.598 -5.157 19.826 1.00 75.11 H new ATOM 0 HG12 VAL A 89 -33.102 -5.018 20.767 1.00 75.11 H new ATOM 0 HG13 VAL A 89 -31.703 -5.883 21.447 1.00 75.11 H new ATOM 0 HG21 VAL A 89 -30.949 -7.320 18.823 1.00 52.41 H new ATOM 0 HG22 VAL A 89 -31.028 -8.135 20.403 1.00 52.41 H new ATOM 0 HG23 VAL A 89 -31.980 -8.755 19.033 1.00 52.41 H new ATOM 1459 N MET A 90 -32.749 -9.799 21.657 1.00 53.41 N ATOM 1460 CA MET A 90 -31.969 -10.672 22.525 1.00 23.14 C ATOM 1461 C MET A 90 -30.508 -10.710 22.087 1.00 71.40 C ATOM 1462 O MET A 90 -29.613 -10.337 22.845 1.00 42.00 O ATOM 1463 CB MET A 90 -32.552 -12.086 22.520 1.00 73.22 C ATOM 1464 CG MET A 90 -34.071 -12.117 22.577 1.00 20.15 C ATOM 1465 SD MET A 90 -34.772 -13.510 21.672 1.00 52.42 S ATOM 1466 CE MET A 90 -34.345 -13.069 19.989 1.00 5.02 C ATOM 0 H MET A 90 -33.202 -10.275 20.877 1.00 53.41 H new ATOM 0 HA MET A 90 -32.016 -10.271 23.538 1.00 23.14 H new ATOM 0 HB2 MET A 90 -32.220 -12.604 21.620 1.00 73.22 H new ATOM 0 HB3 MET A 90 -32.153 -12.638 23.371 1.00 73.22 H new ATOM 0 HG2 MET A 90 -34.391 -12.167 23.618 1.00 20.15 H new ATOM 0 HG3 MET A 90 -34.465 -11.187 22.167 1.00 20.15 H new ATOM 0 HE1 MET A 90 -35.256 -12.951 19.402 1.00 5.02 H new ATOM 0 HE2 MET A 90 -33.789 -12.132 19.988 1.00 5.02 H new ATOM 0 HE3 MET A 90 -33.730 -13.856 19.552 1.00 5.02 H new ATOM 1476 N ASP A 91 -30.275 -11.164 20.860 1.00 31.14 N ATOM 1477 CA ASP A 91 -28.923 -11.250 20.321 1.00 20.41 C ATOM 1478 C ASP A 91 -28.938 -11.816 18.904 1.00 10.14 C ATOM 1479 O ASP A 91 -28.101 -11.461 18.075 1.00 52.44 O ATOM 1480 CB ASP A 91 -28.046 -12.122 21.222 1.00 13.40 C ATOM 1481 CG ASP A 91 -28.685 -13.461 21.532 1.00 74.14 C ATOM 1482 OD1 ASP A 91 -29.471 -13.533 22.499 1.00 34.51 O ATOM 1483 OD2 ASP A 91 -28.399 -14.437 20.807 1.00 60.22 O ATOM 0 H ASP A 91 -31.005 -11.478 20.220 1.00 31.14 H new ATOM 0 HA ASP A 91 -28.507 -10.243 20.287 1.00 20.41 H new ATOM 0 HB2 ASP A 91 -27.083 -12.286 20.738 1.00 13.40 H new ATOM 0 HB3 ASP A 91 -27.849 -11.593 22.154 1.00 13.40 H new ATOM 1488 N SER A 92 -29.894 -12.699 18.635 1.00 14.03 N ATOM 1489 CA SER A 92 -30.015 -13.318 17.320 1.00 15.34 C ATOM 1490 C SER A 92 -30.105 -12.257 16.227 1.00 35.32 C ATOM 1491 O SER A 92 -29.443 -12.358 15.195 1.00 75.33 O ATOM 1492 CB SER A 92 -31.248 -14.223 17.271 1.00 23.20 C ATOM 1493 OG SER A 92 -32.439 -13.472 17.423 1.00 53.54 O ATOM 0 H SER A 92 -30.596 -13.002 19.310 1.00 14.03 H new ATOM 0 HA SER A 92 -29.124 -13.920 17.145 1.00 15.34 H new ATOM 0 HB2 SER A 92 -31.271 -14.760 16.322 1.00 23.20 H new ATOM 0 HB3 SER A 92 -31.184 -14.973 18.060 1.00 23.20 H new ATOM 0 HG SER A 92 -33.212 -14.073 17.386 1.00 53.54 H new ATOM 1499 N GLN A 93 -30.929 -11.242 16.463 1.00 15.43 N ATOM 1500 CA GLN A 93 -31.107 -10.163 15.499 1.00 51.42 C ATOM 1501 C GLN A 93 -29.856 -9.294 15.418 1.00 54.44 C ATOM 1502 O GLN A 93 -29.473 -8.838 14.339 1.00 0.03 O ATOM 1503 CB GLN A 93 -32.315 -9.304 15.879 1.00 70.34 C ATOM 1504 CG GLN A 93 -33.605 -9.734 15.198 1.00 43.10 C ATOM 1505 CD GLN A 93 -34.754 -9.894 16.173 1.00 20.24 C ATOM 1506 OE1 GLN A 93 -35.528 -8.963 16.397 1.00 3.15 O ATOM 1507 NE2 GLN A 93 -34.872 -11.080 16.760 1.00 0.30 N ATOM 0 H GLN A 93 -31.484 -11.144 17.313 1.00 15.43 H new ATOM 0 HA GLN A 93 -31.282 -10.610 14.520 1.00 51.42 H new ATOM 0 HB2 GLN A 93 -32.453 -9.344 16.959 1.00 70.34 H new ATOM 0 HB3 GLN A 93 -32.107 -8.265 15.622 1.00 70.34 H new ATOM 0 HG2 GLN A 93 -33.875 -8.997 14.442 1.00 43.10 H new ATOM 0 HG3 GLN A 93 -33.440 -10.678 14.679 1.00 43.10 H new ATOM 0 HE21 GLN A 93 -34.208 -11.824 16.545 1.00 0.30 H new ATOM 0 HE22 GLN A 93 -35.627 -11.247 17.426 1.00 0.30 H new ATOM 1516 N LEU A 94 -29.224 -9.067 16.564 1.00 72.12 N ATOM 1517 CA LEU A 94 -28.016 -8.252 16.623 1.00 42.11 C ATOM 1518 C LEU A 94 -26.920 -8.838 15.738 1.00 1.42 C ATOM 1519 O LEU A 94 -26.292 -8.123 14.957 1.00 32.13 O ATOM 1520 CB LEU A 94 -27.519 -8.145 18.066 1.00 54.42 C ATOM 1521 CG LEU A 94 -28.232 -7.117 18.946 1.00 45.10 C ATOM 1522 CD1 LEU A 94 -27.833 -7.294 20.403 1.00 72.51 C ATOM 1523 CD2 LEU A 94 -27.920 -5.704 18.474 1.00 13.15 C ATOM 0 H LEU A 94 -29.528 -9.436 17.465 1.00 72.12 H new ATOM 0 HA LEU A 94 -28.261 -7.256 16.255 1.00 42.11 H new ATOM 0 HB2 LEU A 94 -27.614 -9.124 18.536 1.00 54.42 H new ATOM 0 HB3 LEU A 94 -26.456 -7.903 18.046 1.00 54.42 H new ATOM 0 HG LEU A 94 -29.307 -7.278 18.863 1.00 45.10 H new ATOM 0 HD11 LEU A 94 -28.350 -6.554 21.014 1.00 72.51 H new ATOM 0 HD12 LEU A 94 -28.107 -8.295 20.736 1.00 72.51 H new ATOM 0 HD13 LEU A 94 -26.756 -7.160 20.504 1.00 72.51 H new ATOM 0 HD21 LEU A 94 -28.435 -4.985 19.111 1.00 13.15 H new ATOM 0 HD22 LEU A 94 -26.845 -5.531 18.528 1.00 13.15 H new ATOM 0 HD23 LEU A 94 -28.256 -5.582 17.444 1.00 13.15 H new ATOM 1535 N GLN A 95 -26.698 -10.142 15.866 1.00 43.25 N ATOM 1536 CA GLN A 95 -25.679 -10.823 15.076 1.00 23.31 C ATOM 1537 C GLN A 95 -26.003 -10.749 13.588 1.00 50.13 C ATOM 1538 O GLN A 95 -25.105 -10.667 12.750 1.00 0.14 O ATOM 1539 CB GLN A 95 -25.559 -12.285 15.512 1.00 43.33 C ATOM 1540 CG GLN A 95 -25.384 -12.460 17.012 1.00 74.24 C ATOM 1541 CD GLN A 95 -25.890 -13.801 17.505 1.00 74.31 C ATOM 1542 OE1 GLN A 95 -26.494 -14.566 16.751 1.00 0.43 O ATOM 1543 NE2 GLN A 95 -25.646 -14.095 18.777 1.00 74.03 N ATOM 0 H GLN A 95 -27.209 -10.747 16.508 1.00 43.25 H new ATOM 0 HA GLN A 95 -24.727 -10.320 15.247 1.00 23.31 H new ATOM 0 HB2 GLN A 95 -26.451 -12.825 15.193 1.00 43.33 H new ATOM 0 HB3 GLN A 95 -24.711 -12.740 15.000 1.00 43.33 H new ATOM 0 HG2 GLN A 95 -24.329 -12.359 17.265 1.00 74.24 H new ATOM 0 HG3 GLN A 95 -25.915 -11.662 17.532 1.00 74.24 H new ATOM 0 HE21 GLN A 95 -25.142 -13.432 19.366 1.00 74.03 H new ATOM 0 HE22 GLN A 95 -25.962 -14.984 19.165 1.00 74.03 H new ATOM 1552 N MET A 96 -27.292 -10.779 13.266 1.00 52.41 N ATOM 1553 CA MET A 96 -27.735 -10.714 11.878 1.00 44.42 C ATOM 1554 C MET A 96 -27.278 -9.414 11.222 1.00 62.51 C ATOM 1555 O MET A 96 -26.916 -9.395 10.045 1.00 63.43 O ATOM 1556 CB MET A 96 -29.258 -10.830 11.800 1.00 50.12 C ATOM 1557 CG MET A 96 -29.822 -10.515 10.424 1.00 42.42 C ATOM 1558 SD MET A 96 -31.614 -10.320 10.436 1.00 53.44 S ATOM 1559 CE MET A 96 -31.781 -8.778 11.332 1.00 32.12 C ATOM 0 H MET A 96 -28.048 -10.848 13.947 1.00 52.41 H new ATOM 0 HA MET A 96 -27.287 -11.549 11.340 1.00 44.42 H new ATOM 0 HB2 MET A 96 -29.552 -11.841 12.081 1.00 50.12 H new ATOM 0 HB3 MET A 96 -29.703 -10.154 12.530 1.00 50.12 H new ATOM 0 HG2 MET A 96 -29.363 -9.600 10.048 1.00 42.42 H new ATOM 0 HG3 MET A 96 -29.552 -11.314 9.733 1.00 42.42 H new ATOM 0 HE1 MET A 96 -32.799 -8.404 11.225 1.00 32.12 H new ATOM 0 HE2 MET A 96 -31.565 -8.945 12.387 1.00 32.12 H new ATOM 0 HE3 MET A 96 -31.081 -8.046 10.930 1.00 32.12 H new ATOM 1569 N LEU A 97 -27.297 -8.331 11.990 1.00 54.43 N ATOM 1570 CA LEU A 97 -26.885 -7.026 11.483 1.00 72.33 C ATOM 1571 C LEU A 97 -25.425 -7.050 11.042 1.00 51.01 C ATOM 1572 O LEU A 97 -25.083 -6.568 9.962 1.00 73.23 O ATOM 1573 CB LEU A 97 -27.089 -5.953 12.554 1.00 71.23 C ATOM 1574 CG LEU A 97 -28.517 -5.789 13.076 1.00 41.34 C ATOM 1575 CD1 LEU A 97 -28.553 -4.795 14.226 1.00 34.24 C ATOM 1576 CD2 LEU A 97 -29.446 -5.345 11.956 1.00 54.45 C ATOM 0 H LEU A 97 -27.593 -8.330 12.966 1.00 54.43 H new ATOM 0 HA LEU A 97 -27.503 -6.788 10.617 1.00 72.33 H new ATOM 0 HB2 LEU A 97 -26.439 -6.183 13.398 1.00 71.23 H new ATOM 0 HB3 LEU A 97 -26.759 -4.996 12.149 1.00 71.23 H new ATOM 0 HG LEU A 97 -28.862 -6.755 13.446 1.00 41.34 H new ATOM 0 HD11 LEU A 97 -29.577 -4.691 14.585 1.00 34.24 H new ATOM 0 HD12 LEU A 97 -27.919 -5.154 15.037 1.00 34.24 H new ATOM 0 HD13 LEU A 97 -28.189 -3.827 13.882 1.00 34.24 H new ATOM 0 HD21 LEU A 97 -30.458 -5.233 12.345 1.00 54.45 H new ATOM 0 HD22 LEU A 97 -29.104 -4.391 11.556 1.00 54.45 H new ATOM 0 HD23 LEU A 97 -29.443 -6.093 11.163 1.00 54.45 H new ATOM 1588 N LYS A 98 -24.567 -7.616 11.884 1.00 13.44 N ATOM 1589 CA LYS A 98 -23.144 -7.706 11.582 1.00 61.34 C ATOM 1590 C LYS A 98 -22.912 -8.462 10.277 1.00 53.42 C ATOM 1591 O LYS A 98 -21.986 -8.154 9.527 1.00 70.24 O ATOM 1592 CB LYS A 98 -22.402 -8.402 12.725 1.00 64.13 C ATOM 1593 CG LYS A 98 -22.610 -7.741 14.076 1.00 24.14 C ATOM 1594 CD LYS A 98 -21.886 -6.408 14.163 1.00 65.15 C ATOM 1595 CE LYS A 98 -20.864 -6.401 15.289 1.00 1.53 C ATOM 1596 NZ LYS A 98 -19.547 -6.939 14.848 1.00 53.40 N ATOM 0 H LYS A 98 -24.833 -8.020 12.782 1.00 13.44 H new ATOM 0 HA LYS A 98 -22.757 -6.693 11.469 1.00 61.34 H new ATOM 0 HB2 LYS A 98 -22.732 -9.439 12.783 1.00 64.13 H new ATOM 0 HB3 LYS A 98 -21.336 -8.419 12.498 1.00 64.13 H new ATOM 0 HG2 LYS A 98 -23.676 -7.589 14.247 1.00 24.14 H new ATOM 0 HG3 LYS A 98 -22.252 -8.403 14.865 1.00 24.14 H new ATOM 0 HD2 LYS A 98 -21.387 -6.201 13.216 1.00 65.15 H new ATOM 0 HD3 LYS A 98 -22.610 -5.609 14.323 1.00 65.15 H new ATOM 0 HE2 LYS A 98 -20.736 -5.383 15.656 1.00 1.53 H new ATOM 0 HE3 LYS A 98 -21.238 -6.996 16.122 1.00 1.53 H new ATOM 0 HZ1 LYS A 98 -18.879 -6.917 15.645 1.00 53.40 H new ATOM 0 HZ2 LYS A 98 -19.664 -7.919 14.521 1.00 53.40 H new ATOM 0 HZ3 LYS A 98 -19.177 -6.357 14.070 1.00 53.40 H new ATOM 1610 N SER A 99 -23.761 -9.450 10.012 1.00 65.11 N ATOM 1611 CA SER A 99 -23.646 -10.251 8.798 1.00 14.34 C ATOM 1612 C SER A 99 -24.007 -9.425 7.567 1.00 30.21 C ATOM 1613 O SER A 99 -23.299 -9.451 6.561 1.00 71.00 O ATOM 1614 CB SER A 99 -24.553 -11.480 8.886 1.00 52.21 C ATOM 1615 OG SER A 99 -24.036 -12.551 8.115 1.00 13.31 O ATOM 0 H SER A 99 -24.535 -9.715 10.621 1.00 65.11 H new ATOM 0 HA SER A 99 -22.611 -10.578 8.704 1.00 14.34 H new ATOM 0 HB2 SER A 99 -24.650 -11.790 9.926 1.00 52.21 H new ATOM 0 HB3 SER A 99 -25.553 -11.224 8.535 1.00 52.21 H new ATOM 0 HG SER A 99 -24.632 -13.325 8.189 1.00 13.31 H new ATOM 1621 N GLU A 100 -25.114 -8.694 7.656 1.00 44.11 N ATOM 1622 CA GLU A 100 -25.569 -7.861 6.549 1.00 71.32 C ATOM 1623 C GLU A 100 -24.674 -6.636 6.385 1.00 32.14 C ATOM 1624 O GLU A 100 -24.593 -6.053 5.304 1.00 3.33 O ATOM 1625 CB GLU A 100 -27.017 -7.422 6.774 1.00 34.21 C ATOM 1626 CG GLU A 100 -27.145 -6.107 7.524 1.00 11.02 C ATOM 1627 CD GLU A 100 -28.577 -5.793 7.911 1.00 11.41 C ATOM 1628 OE1 GLU A 100 -29.481 -6.555 7.508 1.00 2.12 O ATOM 1629 OE2 GLU A 100 -28.794 -4.785 8.616 1.00 34.20 O ATOM 0 H GLU A 100 -25.711 -8.662 8.482 1.00 44.11 H new ATOM 0 HA GLU A 100 -25.514 -8.454 5.636 1.00 71.32 H new ATOM 0 HB2 GLU A 100 -27.514 -7.330 5.808 1.00 34.21 H new ATOM 0 HB3 GLU A 100 -27.541 -8.200 7.329 1.00 34.21 H new ATOM 0 HG2 GLU A 100 -26.530 -6.144 8.423 1.00 11.02 H new ATOM 0 HG3 GLU A 100 -26.755 -5.300 6.904 1.00 11.02 H new ATOM 1636 N PHE A 101 -24.005 -6.251 7.467 1.00 63.30 N ATOM 1637 CA PHE A 101 -23.117 -5.095 7.445 1.00 3.22 C ATOM 1638 C PHE A 101 -22.006 -5.282 6.416 1.00 5.43 C ATOM 1639 O PHE A 101 -21.416 -4.312 5.938 1.00 14.01 O ATOM 1640 CB PHE A 101 -22.511 -4.864 8.831 1.00 25.40 C ATOM 1641 CG PHE A 101 -23.475 -4.266 9.815 1.00 23.22 C ATOM 1642 CD1 PHE A 101 -24.808 -4.091 9.480 1.00 22.42 C ATOM 1643 CD2 PHE A 101 -23.048 -3.879 11.075 1.00 32.33 C ATOM 1644 CE1 PHE A 101 -25.697 -3.541 10.384 1.00 42.53 C ATOM 1645 CE2 PHE A 101 -23.933 -3.328 11.983 1.00 22.23 C ATOM 1646 CZ PHE A 101 -25.259 -3.160 11.637 1.00 11.41 C ATOM 0 H PHE A 101 -24.061 -6.723 8.370 1.00 63.30 H new ATOM 0 HA PHE A 101 -23.705 -4.222 7.163 1.00 3.22 H new ATOM 0 HB2 PHE A 101 -22.147 -5.814 9.223 1.00 25.40 H new ATOM 0 HB3 PHE A 101 -21.647 -4.207 8.736 1.00 25.40 H new ATOM 0 HD1 PHE A 101 -25.156 -4.388 8.502 1.00 22.42 H new ATOM 0 HD2 PHE A 101 -22.012 -4.009 11.351 1.00 32.33 H new ATOM 0 HE1 PHE A 101 -26.734 -3.409 10.111 1.00 42.53 H new ATOM 0 HE2 PHE A 101 -23.588 -3.029 12.962 1.00 22.23 H new ATOM 0 HZ PHE A 101 -25.953 -2.731 12.345 1.00 11.41 H new ATOM 1656 N LYS A 102 -21.724 -6.536 6.080 1.00 4.21 N ATOM 1657 CA LYS A 102 -20.684 -6.853 5.108 1.00 52.41 C ATOM 1658 C LYS A 102 -21.132 -6.490 3.695 1.00 23.53 C ATOM 1659 O LYS A 102 -20.378 -5.891 2.928 1.00 1.14 O ATOM 1660 CB LYS A 102 -20.329 -8.340 5.176 1.00 13.33 C ATOM 1661 CG LYS A 102 -18.852 -8.623 4.963 1.00 74.03 C ATOM 1662 CD LYS A 102 -18.334 -9.656 5.949 1.00 35.13 C ATOM 1663 CE LYS A 102 -17.824 -9.002 7.224 1.00 23.32 C ATOM 1664 NZ LYS A 102 -18.246 -9.752 8.440 1.00 53.24 N ATOM 0 H LYS A 102 -22.201 -7.350 6.467 1.00 4.21 H new ATOM 0 HA LYS A 102 -19.800 -6.264 5.353 1.00 52.41 H new ATOM 0 HB2 LYS A 102 -20.629 -8.733 6.148 1.00 13.33 H new ATOM 0 HB3 LYS A 102 -20.906 -8.877 4.423 1.00 13.33 H new ATOM 0 HG2 LYS A 102 -18.692 -8.978 3.945 1.00 74.03 H new ATOM 0 HG3 LYS A 102 -18.284 -7.699 5.071 1.00 74.03 H new ATOM 0 HD2 LYS A 102 -19.130 -10.359 6.193 1.00 35.13 H new ATOM 0 HD3 LYS A 102 -17.531 -10.231 5.487 1.00 35.13 H new ATOM 0 HE2 LYS A 102 -16.736 -8.944 7.192 1.00 23.32 H new ATOM 0 HE3 LYS A 102 -18.196 -7.979 7.281 1.00 23.32 H new ATOM 0 HZ1 LYS A 102 -17.879 -9.274 9.288 1.00 53.24 H new ATOM 0 HZ2 LYS A 102 -19.285 -9.785 8.484 1.00 53.24 H new ATOM 0 HZ3 LYS A 102 -17.870 -10.721 8.398 1.00 53.24 H new ATOM 1678 N LYS A 103 -22.363 -6.857 3.358 1.00 55.13 N ATOM 1679 CA LYS A 103 -22.913 -6.569 2.038 1.00 15.55 C ATOM 1680 C LYS A 103 -23.017 -5.064 1.809 1.00 34.13 C ATOM 1681 O LYS A 103 -22.759 -4.575 0.709 1.00 24.31 O ATOM 1682 CB LYS A 103 -24.292 -7.215 1.886 1.00 52.23 C ATOM 1683 CG LYS A 103 -24.237 -8.681 1.492 1.00 5.21 C ATOM 1684 CD LYS A 103 -25.625 -9.242 1.234 1.00 22.14 C ATOM 1685 CE LYS A 103 -26.269 -9.747 2.517 1.00 42.14 C ATOM 1686 NZ LYS A 103 -25.655 -11.021 2.981 1.00 25.34 N ATOM 0 H LYS A 103 -23.000 -7.355 3.980 1.00 55.13 H new ATOM 0 HA LYS A 103 -22.238 -6.987 1.291 1.00 15.55 H new ATOM 0 HB2 LYS A 103 -24.834 -7.120 2.827 1.00 52.23 H new ATOM 0 HB3 LYS A 103 -24.860 -6.667 1.135 1.00 52.23 H new ATOM 0 HG2 LYS A 103 -23.625 -8.795 0.597 1.00 5.21 H new ATOM 0 HG3 LYS A 103 -23.754 -9.253 2.284 1.00 5.21 H new ATOM 0 HD2 LYS A 103 -26.254 -8.471 0.789 1.00 22.14 H new ATOM 0 HD3 LYS A 103 -25.561 -10.056 0.512 1.00 22.14 H new ATOM 0 HE2 LYS A 103 -26.169 -8.991 3.296 1.00 42.14 H new ATOM 0 HE3 LYS A 103 -27.336 -9.897 2.353 1.00 42.14 H new ATOM 0 HZ1 LYS A 103 -26.277 -11.471 3.682 1.00 25.34 H new ATOM 0 HZ2 LYS A 103 -25.527 -11.660 2.171 1.00 25.34 H new ATOM 0 HZ3 LYS A 103 -24.731 -10.823 3.415 1.00 25.34 H new ATOM 1700 N ILE A 104 -23.396 -4.336 2.854 1.00 1.22 N ATOM 1701 CA ILE A 104 -23.531 -2.887 2.766 1.00 21.13 C ATOM 1702 C ILE A 104 -22.190 -2.228 2.461 1.00 12.43 C ATOM 1703 O ILE A 104 -22.092 -1.375 1.578 1.00 12.34 O ATOM 1704 CB ILE A 104 -24.097 -2.294 4.070 1.00 20.32 C ATOM 1705 CG1 ILE A 104 -25.602 -2.554 4.163 1.00 51.44 C ATOM 1706 CG2 ILE A 104 -23.805 -0.803 4.144 1.00 33.04 C ATOM 1707 CD1 ILE A 104 -25.994 -3.424 5.336 1.00 73.54 C ATOM 0 H ILE A 104 -23.615 -4.725 3.771 1.00 1.22 H new ATOM 0 HA ILE A 104 -24.227 -2.684 1.952 1.00 21.13 H new ATOM 0 HB ILE A 104 -23.611 -2.781 4.915 1.00 20.32 H new ATOM 0 HG12 ILE A 104 -26.123 -1.600 4.239 1.00 51.44 H new ATOM 0 HG13 ILE A 104 -25.938 -3.028 3.241 1.00 51.44 H new ATOM 0 HG21 ILE A 104 -24.211 -0.398 5.071 1.00 33.04 H new ATOM 0 HG22 ILE A 104 -22.727 -0.642 4.119 1.00 33.04 H new ATOM 0 HG23 ILE A 104 -24.267 -0.299 3.295 1.00 33.04 H new ATOM 0 HD11 ILE A 104 -27.075 -3.566 5.339 1.00 73.54 H new ATOM 0 HD12 ILE A 104 -25.501 -4.392 5.251 1.00 73.54 H new ATOM 0 HD13 ILE A 104 -25.689 -2.942 6.265 1.00 73.54 H new ATOM 1719 N HIS A 105 -21.158 -2.629 3.197 1.00 73.44 N ATOM 1720 CA HIS A 105 -19.821 -2.079 3.003 1.00 34.12 C ATOM 1721 C HIS A 105 -19.295 -2.408 1.609 1.00 1.15 C ATOM 1722 O HIS A 105 -18.690 -1.564 0.949 1.00 30.42 O ATOM 1723 CB HIS A 105 -18.864 -2.624 4.064 1.00 14.51 C ATOM 1724 CG HIS A 105 -17.459 -2.127 3.915 1.00 73.24 C ATOM 1725 ND1 HIS A 105 -16.736 -2.255 2.747 1.00 12.24 N ATOM 1726 CD2 HIS A 105 -16.644 -1.498 4.793 1.00 34.03 C ATOM 1727 CE1 HIS A 105 -15.537 -1.727 2.915 1.00 23.32 C ATOM 1728 NE2 HIS A 105 -15.456 -1.261 4.148 1.00 4.42 N ATOM 0 H HIS A 105 -21.222 -3.332 3.933 1.00 73.44 H new ATOM 0 HA HIS A 105 -19.883 -0.995 3.102 1.00 34.12 H new ATOM 0 HB2 HIS A 105 -19.235 -2.350 5.051 1.00 14.51 H new ATOM 0 HB3 HIS A 105 -18.863 -3.713 4.015 1.00 14.51 H new ATOM 0 HD2 HIS A 105 -16.884 -1.232 5.812 1.00 34.03 H new ATOM 0 HE1 HIS A 105 -14.756 -1.684 2.171 1.00 23.32 H new ATOM 0 HE2 HIS A 105 -14.642 -0.800 4.555 1.00 4.42 H new ATOM 1736 N ASN A 106 -19.529 -3.640 1.169 1.00 11.11 N ATOM 1737 CA ASN A 106 -19.077 -4.080 -0.146 1.00 31.44 C ATOM 1738 C ASN A 106 -19.627 -3.173 -1.242 1.00 72.21 C ATOM 1739 O ASN A 106 -18.910 -2.793 -2.168 1.00 65.51 O ATOM 1740 CB ASN A 106 -19.510 -5.526 -0.399 1.00 13.20 C ATOM 1741 CG ASN A 106 -18.330 -6.459 -0.584 1.00 25.34 C ATOM 1742 OD1 ASN A 106 -17.706 -6.487 -1.645 1.00 4.35 O ATOM 1743 ND2 ASN A 106 -18.018 -7.230 0.452 1.00 63.44 N ATOM 0 H ASN A 106 -20.029 -4.351 1.703 1.00 11.11 H new ATOM 0 HA ASN A 106 -17.989 -4.025 -0.166 1.00 31.44 H new ATOM 0 HB2 ASN A 106 -20.116 -5.873 0.438 1.00 13.20 H new ATOM 0 HB3 ASN A 106 -20.142 -5.563 -1.287 1.00 13.20 H new ATOM 0 HD21 ASN A 106 -17.233 -7.879 0.387 1.00 63.44 H new ATOM 0 HD22 ASN A 106 -18.563 -7.173 1.312 1.00 63.44 H new ATOM 1750 N THR A 107 -20.906 -2.828 -1.131 1.00 33.21 N ATOM 1751 CA THR A 107 -21.553 -1.966 -2.112 1.00 34.40 C ATOM 1752 C THR A 107 -21.173 -0.506 -1.897 1.00 13.13 C ATOM 1753 O THR A 107 -21.261 0.310 -2.814 1.00 71.01 O ATOM 1754 CB THR A 107 -23.087 -2.100 -2.052 1.00 62.14 C ATOM 1755 OG1 THR A 107 -23.692 -1.225 -3.010 1.00 55.42 O ATOM 1756 CG2 THR A 107 -23.605 -1.773 -0.660 1.00 41.10 C ATOM 0 H THR A 107 -21.514 -3.133 -0.371 1.00 33.21 H new ATOM 0 HA THR A 107 -21.205 -2.288 -3.094 1.00 34.40 H new ATOM 0 HB THR A 107 -23.349 -3.132 -2.286 1.00 62.14 H new ATOM 0 HG1 THR A 107 -24.667 -1.317 -2.967 1.00 55.42 H new ATOM 0 HG21 THR A 107 -24.690 -1.875 -0.642 1.00 41.10 H new ATOM 0 HG22 THR A 107 -23.165 -2.460 0.063 1.00 41.10 H new ATOM 0 HG23 THR A 107 -23.332 -0.750 -0.401 1.00 41.10 H new ATOM 1764 N SER A 108 -20.750 -0.183 -0.679 1.00 10.22 N ATOM 1765 CA SER A 108 -20.359 1.181 -0.342 1.00 51.23 C ATOM 1766 C SER A 108 -18.892 1.239 0.072 1.00 0.14 C ATOM 1767 O SER A 108 -18.514 2.014 0.952 1.00 73.43 O ATOM 1768 CB SER A 108 -21.241 1.724 0.784 1.00 60.11 C ATOM 1769 OG SER A 108 -22.387 2.376 0.265 1.00 73.41 O ATOM 0 H SER A 108 -20.669 -0.847 0.091 1.00 10.22 H new ATOM 0 HA SER A 108 -20.493 1.801 -1.229 1.00 51.23 H new ATOM 0 HB2 SER A 108 -21.548 0.906 1.436 1.00 60.11 H new ATOM 0 HB3 SER A 108 -20.668 2.421 1.395 1.00 60.11 H new ATOM 0 HG SER A 108 -22.108 3.112 -0.319 1.00 73.41 H new ATOM 1775 N ARG A 109 -18.070 0.414 -0.567 1.00 62.14 N ATOM 1776 CA ARG A 109 -16.644 0.369 -0.265 1.00 53.40 C ATOM 1777 C ARG A 109 -15.923 1.572 -0.867 1.00 70.10 C ATOM 1778 O ARG A 109 -15.429 1.513 -1.992 1.00 55.14 O ATOM 1779 CB ARG A 109 -16.029 -0.926 -0.796 1.00 63.42 C ATOM 1780 CG ARG A 109 -14.527 -1.020 -0.581 1.00 60.15 C ATOM 1781 CD ARG A 109 -14.043 -2.460 -0.652 1.00 41.14 C ATOM 1782 NE ARG A 109 -12.734 -2.567 -1.292 1.00 13.51 N ATOM 1783 CZ ARG A 109 -12.148 -3.724 -1.577 1.00 43.20 C ATOM 1784 NH1 ARG A 109 -12.751 -4.867 -1.281 1.00 45.02 N ATOM 1785 NH2 ARG A 109 -10.956 -3.739 -2.160 1.00 3.02 N ATOM 0 H ARG A 109 -18.367 -0.233 -1.298 1.00 62.14 H new ATOM 0 HA ARG A 109 -16.526 0.401 0.818 1.00 53.40 H new ATOM 0 HB2 ARG A 109 -16.511 -1.774 -0.309 1.00 63.42 H new ATOM 0 HB3 ARG A 109 -16.241 -1.008 -1.862 1.00 63.42 H new ATOM 0 HG2 ARG A 109 -14.012 -0.424 -1.335 1.00 60.15 H new ATOM 0 HG3 ARG A 109 -14.270 -0.596 0.390 1.00 60.15 H new ATOM 0 HD2 ARG A 109 -13.989 -2.874 0.355 1.00 41.14 H new ATOM 0 HD3 ARG A 109 -14.767 -3.059 -1.205 1.00 41.14 H new ATOM 0 HE ARG A 109 -12.243 -1.706 -1.533 1.00 13.51 H new ATOM 0 HH11 ARG A 109 -13.667 -4.859 -0.833 1.00 45.02 H new ATOM 0 HH12 ARG A 109 -12.299 -5.754 -1.501 1.00 45.02 H new ATOM 0 HH21 ARG A 109 -10.489 -2.861 -2.389 1.00 3.02 H new ATOM 0 HH22 ARG A 109 -10.506 -4.628 -2.379 1.00 3.02 H new ATOM 1799 N GLY A 110 -15.867 2.663 -0.109 1.00 21.44 N ATOM 1800 CA GLY A 110 -15.205 3.863 -0.584 1.00 51.41 C ATOM 1801 C GLY A 110 -16.120 5.072 -0.576 1.00 33.31 C ATOM 1802 O GLY A 110 -16.003 5.952 -1.428 1.00 10.12 O ATOM 0 H GLY A 110 -16.269 2.737 0.826 1.00 21.44 H new ATOM 0 HA2 GLY A 110 -14.335 4.066 0.040 1.00 51.41 H new ATOM 0 HA3 GLY A 110 -14.838 3.695 -1.597 1.00 51.41 H new ATOM 1806 N GLN A 111 -17.035 5.113 0.388 1.00 43.03 N ATOM 1807 CA GLN A 111 -17.975 6.222 0.501 1.00 71.42 C ATOM 1808 C GLN A 111 -18.731 6.161 1.824 1.00 54.12 C ATOM 1809 O GLN A 111 -18.318 5.470 2.754 1.00 1.22 O ATOM 1810 CB GLN A 111 -18.963 6.201 -0.667 1.00 33.14 C ATOM 1811 CG GLN A 111 -19.938 5.035 -0.618 1.00 43.13 C ATOM 1812 CD GLN A 111 -20.870 5.004 -1.813 1.00 62.45 C ATOM 1813 OE1 GLN A 111 -22.077 4.806 -1.669 1.00 44.21 O ATOM 1814 NE2 GLN A 111 -20.314 5.199 -3.003 1.00 62.15 N ATOM 0 H GLN A 111 -17.145 4.392 1.101 1.00 43.03 H new ATOM 0 HA GLN A 111 -17.407 7.152 0.471 1.00 71.42 H new ATOM 0 HB2 GLN A 111 -19.526 7.134 -0.673 1.00 33.14 H new ATOM 0 HB3 GLN A 111 -18.406 6.159 -1.603 1.00 33.14 H new ATOM 0 HG2 GLN A 111 -19.379 4.100 -0.574 1.00 43.13 H new ATOM 0 HG3 GLN A 111 -20.528 5.097 0.297 1.00 43.13 H new ATOM 0 HE21 GLN A 111 -19.309 5.360 -3.076 1.00 62.15 H new ATOM 0 HE22 GLN A 111 -20.892 5.188 -3.844 1.00 62.15 H new ATOM 1823 N GLU A 112 -19.841 6.889 1.899 1.00 0.44 N ATOM 1824 CA GLU A 112 -20.654 6.919 3.110 1.00 63.42 C ATOM 1825 C GLU A 112 -21.278 5.552 3.379 1.00 1.40 C ATOM 1826 O GLU A 112 -21.929 4.973 2.509 1.00 42.43 O ATOM 1827 CB GLU A 112 -21.751 7.978 2.988 1.00 32.14 C ATOM 1828 CG GLU A 112 -21.230 9.353 2.604 1.00 33.42 C ATOM 1829 CD GLU A 112 -22.309 10.417 2.644 1.00 12.42 C ATOM 1830 OE1 GLU A 112 -23.207 10.385 1.776 1.00 25.21 O ATOM 1831 OE2 GLU A 112 -22.256 11.283 3.543 1.00 74.13 O ATOM 0 H GLU A 112 -20.198 7.465 1.137 1.00 0.44 H new ATOM 0 HA GLU A 112 -20.005 7.174 3.948 1.00 63.42 H new ATOM 0 HB2 GLU A 112 -22.477 7.653 2.243 1.00 32.14 H new ATOM 0 HB3 GLU A 112 -22.280 8.052 3.938 1.00 32.14 H new ATOM 0 HG2 GLU A 112 -20.423 9.634 3.281 1.00 33.42 H new ATOM 0 HG3 GLU A 112 -20.805 9.309 1.601 1.00 33.42 H new ATOM 1838 N ILE A 113 -21.074 5.044 4.589 1.00 20.44 N ATOM 1839 CA ILE A 113 -21.617 3.746 4.974 1.00 44.54 C ATOM 1840 C ILE A 113 -22.431 3.850 6.259 1.00 43.01 C ATOM 1841 O ILE A 113 -23.096 2.896 6.662 1.00 35.13 O ATOM 1842 CB ILE A 113 -20.500 2.704 5.169 1.00 4.53 C ATOM 1843 CG1 ILE A 113 -19.555 3.142 6.291 1.00 61.24 C ATOM 1844 CG2 ILE A 113 -19.732 2.501 3.872 1.00 42.03 C ATOM 1845 CD1 ILE A 113 -18.907 1.986 7.020 1.00 21.10 C ATOM 0 H ILE A 113 -20.537 5.510 5.320 1.00 20.44 H new ATOM 0 HA ILE A 113 -22.267 3.422 4.161 1.00 44.54 H new ATOM 0 HB ILE A 113 -20.954 1.754 5.451 1.00 4.53 H new ATOM 0 HG12 ILE A 113 -18.776 3.779 5.871 1.00 61.24 H new ATOM 0 HG13 ILE A 113 -20.110 3.747 7.007 1.00 61.24 H new ATOM 0 HG21 ILE A 113 -18.946 1.762 4.026 1.00 42.03 H new ATOM 0 HG22 ILE A 113 -20.413 2.150 3.097 1.00 42.03 H new ATOM 0 HG23 ILE A 113 -19.286 3.446 3.562 1.00 42.03 H new ATOM 0 HD11 ILE A 113 -18.251 2.370 7.801 1.00 21.10 H new ATOM 0 HD12 ILE A 113 -19.679 1.361 7.469 1.00 21.10 H new ATOM 0 HD13 ILE A 113 -18.324 1.393 6.316 1.00 21.10 H new ATOM 1857 N ILE A 114 -22.374 5.014 6.896 1.00 1.44 N ATOM 1858 CA ILE A 114 -23.108 5.244 8.134 1.00 33.54 C ATOM 1859 C ILE A 114 -24.613 5.258 7.886 1.00 2.44 C ATOM 1860 O ILE A 114 -25.379 4.624 8.612 1.00 1.21 O ATOM 1861 CB ILE A 114 -22.695 6.571 8.797 1.00 54.35 C ATOM 1862 CG1 ILE A 114 -21.172 6.658 8.909 1.00 41.32 C ATOM 1863 CG2 ILE A 114 -23.341 6.703 10.168 1.00 73.23 C ATOM 1864 CD1 ILE A 114 -20.496 7.099 7.629 1.00 1.14 C ATOM 0 H ILE A 114 -21.827 5.813 6.575 1.00 1.44 H new ATOM 0 HA ILE A 114 -22.860 4.421 8.805 1.00 33.54 H new ATOM 0 HB ILE A 114 -23.042 7.395 8.173 1.00 54.35 H new ATOM 0 HG12 ILE A 114 -20.914 7.356 9.706 1.00 41.32 H new ATOM 0 HG13 ILE A 114 -20.781 5.683 9.200 1.00 41.32 H new ATOM 0 HG21 ILE A 114 -23.039 7.646 10.623 1.00 73.23 H new ATOM 0 HG22 ILE A 114 -24.426 6.682 10.063 1.00 73.23 H new ATOM 0 HG23 ILE A 114 -23.022 5.876 10.802 1.00 73.23 H new ATOM 0 HD11 ILE A 114 -19.418 7.138 7.782 1.00 1.14 H new ATOM 0 HD12 ILE A 114 -20.724 6.389 6.834 1.00 1.14 H new ATOM 0 HD13 ILE A 114 -20.859 8.088 7.348 1.00 1.14 H new ATOM 1876 N PHE A 115 -25.030 5.985 6.855 1.00 3.40 N ATOM 1877 CA PHE A 115 -26.443 6.083 6.510 1.00 72.42 C ATOM 1878 C PHE A 115 -26.970 4.747 5.993 1.00 21.12 C ATOM 1879 O PHE A 115 -28.112 4.374 6.259 1.00 51.42 O ATOM 1880 CB PHE A 115 -26.659 7.171 5.456 1.00 60.30 C ATOM 1881 CG PHE A 115 -28.086 7.626 5.348 1.00 11.32 C ATOM 1882 CD1 PHE A 115 -28.581 8.605 6.195 1.00 24.14 C ATOM 1883 CD2 PHE A 115 -28.933 7.076 4.399 1.00 10.45 C ATOM 1884 CE1 PHE A 115 -29.894 9.025 6.099 1.00 43.12 C ATOM 1885 CE2 PHE A 115 -30.247 7.493 4.298 1.00 50.12 C ATOM 1886 CZ PHE A 115 -30.728 8.470 5.148 1.00 24.51 C ATOM 0 H PHE A 115 -24.409 6.515 6.244 1.00 3.40 H new ATOM 0 HA PHE A 115 -26.994 6.347 7.413 1.00 72.42 H new ATOM 0 HB2 PHE A 115 -26.030 8.028 5.696 1.00 60.30 H new ATOM 0 HB3 PHE A 115 -26.331 6.797 4.486 1.00 60.30 H new ATOM 0 HD1 PHE A 115 -27.933 9.045 6.939 1.00 24.14 H new ATOM 0 HD2 PHE A 115 -28.562 6.313 3.731 1.00 10.45 H new ATOM 0 HE1 PHE A 115 -30.268 9.787 6.767 1.00 43.12 H new ATOM 0 HE2 PHE A 115 -30.897 7.055 3.555 1.00 50.12 H new ATOM 0 HZ PHE A 115 -31.754 8.799 5.069 1.00 24.51 H new ATOM 1896 N GLU A 116 -26.128 4.032 5.253 1.00 32.22 N ATOM 1897 CA GLU A 116 -26.509 2.739 4.698 1.00 35.51 C ATOM 1898 C GLU A 116 -26.697 1.705 5.805 1.00 1.22 C ATOM 1899 O GLU A 116 -27.677 0.960 5.814 1.00 52.05 O ATOM 1900 CB GLU A 116 -25.451 2.253 3.706 1.00 71.54 C ATOM 1901 CG GLU A 116 -25.055 3.299 2.677 1.00 32.42 C ATOM 1902 CD GLU A 116 -26.219 3.729 1.805 1.00 3.34 C ATOM 1903 OE1 GLU A 116 -27.033 2.859 1.431 1.00 64.00 O ATOM 1904 OE2 GLU A 116 -26.316 4.935 1.497 1.00 5.44 O ATOM 0 H GLU A 116 -25.179 4.326 5.024 1.00 32.22 H new ATOM 0 HA GLU A 116 -27.457 2.863 4.175 1.00 35.51 H new ATOM 0 HB2 GLU A 116 -24.563 1.944 4.257 1.00 71.54 H new ATOM 0 HB3 GLU A 116 -25.828 1.371 3.188 1.00 71.54 H new ATOM 0 HG2 GLU A 116 -24.648 4.171 3.189 1.00 32.42 H new ATOM 0 HG3 GLU A 116 -24.261 2.900 2.046 1.00 32.42 H new ATOM 1911 N ILE A 117 -25.750 1.667 6.737 1.00 72.42 N ATOM 1912 CA ILE A 117 -25.811 0.726 7.848 1.00 21.34 C ATOM 1913 C ILE A 117 -26.973 1.051 8.781 1.00 70.43 C ATOM 1914 O ILE A 117 -27.665 0.154 9.265 1.00 2.44 O ATOM 1915 CB ILE A 117 -24.501 0.727 8.659 1.00 74.20 C ATOM 1916 CG1 ILE A 117 -24.186 -0.683 9.162 1.00 35.43 C ATOM 1917 CG2 ILE A 117 -24.600 1.701 9.823 1.00 20.14 C ATOM 1918 CD1 ILE A 117 -22.746 -1.093 8.951 1.00 4.30 C ATOM 0 H ILE A 117 -24.932 2.277 6.744 1.00 72.42 H new ATOM 0 HA ILE A 117 -25.961 -0.263 7.416 1.00 21.34 H new ATOM 0 HB ILE A 117 -23.688 1.050 8.009 1.00 74.20 H new ATOM 0 HG12 ILE A 117 -24.420 -0.741 10.225 1.00 35.43 H new ATOM 0 HG13 ILE A 117 -24.836 -1.395 8.653 1.00 35.43 H new ATOM 0 HG21 ILE A 117 -23.667 1.691 10.387 1.00 20.14 H new ATOM 0 HG22 ILE A 117 -24.783 2.706 9.442 1.00 20.14 H new ATOM 0 HG23 ILE A 117 -25.421 1.406 10.476 1.00 20.14 H new ATOM 0 HD11 ILE A 117 -22.596 -2.103 9.331 1.00 4.30 H new ATOM 0 HD12 ILE A 117 -22.513 -1.068 7.887 1.00 4.30 H new ATOM 0 HD13 ILE A 117 -22.090 -0.404 9.483 1.00 4.30 H new ATOM 1930 N THR A 118 -27.184 2.340 9.027 1.00 33.14 N ATOM 1931 CA THR A 118 -28.263 2.784 9.901 1.00 40.22 C ATOM 1932 C THR A 118 -29.625 2.517 9.271 1.00 14.44 C ATOM 1933 O THR A 118 -30.549 2.054 9.941 1.00 41.05 O ATOM 1934 CB THR A 118 -28.144 4.286 10.222 1.00 44.14 C ATOM 1935 OG1 THR A 118 -28.268 5.055 9.020 1.00 12.01 O ATOM 1936 CG2 THR A 118 -26.812 4.592 10.890 1.00 42.50 C ATOM 0 H THR A 118 -26.622 3.095 8.633 1.00 33.14 H new ATOM 0 HA THR A 118 -28.175 2.214 10.826 1.00 40.22 H new ATOM 0 HB THR A 118 -28.947 4.553 10.909 1.00 44.14 H new ATOM 0 HG1 THR A 118 -28.193 6.009 9.233 1.00 12.01 H new ATOM 0 HG21 THR A 118 -26.750 5.658 11.107 1.00 42.50 H new ATOM 0 HG22 THR A 118 -26.733 4.027 11.819 1.00 42.50 H new ATOM 0 HG23 THR A 118 -25.997 4.310 10.223 1.00 42.50 H new ATOM 1944 N SER A 119 -29.744 2.812 7.981 1.00 42.13 N ATOM 1945 CA SER A 119 -30.996 2.607 7.261 1.00 25.44 C ATOM 1946 C SER A 119 -31.345 1.123 7.191 1.00 4.05 C ATOM 1947 O SER A 119 -32.493 0.733 7.403 1.00 51.01 O ATOM 1948 CB SER A 119 -30.898 3.186 5.849 1.00 43.21 C ATOM 1949 OG SER A 119 -31.467 4.483 5.789 1.00 23.42 O ATOM 0 H SER A 119 -28.988 3.194 7.412 1.00 42.13 H new ATOM 0 HA SER A 119 -31.787 3.124 7.804 1.00 25.44 H new ATOM 0 HB2 SER A 119 -29.853 3.229 5.542 1.00 43.21 H new ATOM 0 HB3 SER A 119 -31.410 2.528 5.146 1.00 43.21 H new ATOM 0 HG SER A 119 -30.864 5.083 5.302 1.00 23.42 H new ATOM 1955 N PHE A 120 -30.345 0.300 6.893 1.00 20.10 N ATOM 1956 CA PHE A 120 -30.545 -1.141 6.794 1.00 61.23 C ATOM 1957 C PHE A 120 -31.029 -1.716 8.122 1.00 51.12 C ATOM 1958 O PHE A 120 -31.998 -2.474 8.168 1.00 74.24 O ATOM 1959 CB PHE A 120 -29.246 -1.830 6.371 1.00 43.25 C ATOM 1960 CG PHE A 120 -29.366 -2.600 5.087 1.00 33.50 C ATOM 1961 CD1 PHE A 120 -29.635 -1.948 3.894 1.00 32.15 C ATOM 1962 CD2 PHE A 120 -29.210 -3.977 5.073 1.00 74.12 C ATOM 1963 CE1 PHE A 120 -29.747 -2.655 2.712 1.00 34.13 C ATOM 1964 CE2 PHE A 120 -29.321 -4.689 3.893 1.00 31.55 C ATOM 1965 CZ PHE A 120 -29.589 -4.027 2.711 1.00 20.35 C ATOM 0 H PHE A 120 -29.388 0.606 6.716 1.00 20.10 H new ATOM 0 HA PHE A 120 -31.309 -1.325 6.038 1.00 61.23 H new ATOM 0 HB2 PHE A 120 -28.464 -1.078 6.263 1.00 43.25 H new ATOM 0 HB3 PHE A 120 -28.929 -2.508 7.164 1.00 43.25 H new ATOM 0 HD1 PHE A 120 -29.759 -0.875 3.888 1.00 32.15 H new ATOM 0 HD2 PHE A 120 -28.999 -4.500 5.994 1.00 74.12 H new ATOM 0 HE1 PHE A 120 -29.958 -2.135 1.789 1.00 34.13 H new ATOM 0 HE2 PHE A 120 -29.198 -5.762 3.896 1.00 31.55 H new ATOM 0 HZ PHE A 120 -29.675 -4.581 1.788 1.00 20.35 H new ATOM 1975 N THR A 121 -30.346 -1.350 9.202 1.00 15.33 N ATOM 1976 CA THR A 121 -30.704 -1.829 10.531 1.00 34.13 C ATOM 1977 C THR A 121 -32.082 -1.324 10.945 1.00 21.43 C ATOM 1978 O THR A 121 -32.868 -2.059 11.542 1.00 20.51 O ATOM 1979 CB THR A 121 -29.671 -1.388 11.585 1.00 63.23 C ATOM 1980 OG1 THR A 121 -29.444 0.022 11.489 1.00 52.45 O ATOM 1981 CG2 THR A 121 -28.357 -2.132 11.398 1.00 42.21 C ATOM 0 H THR A 121 -29.542 -0.723 9.182 1.00 15.33 H new ATOM 0 HA THR A 121 -30.719 -2.918 10.481 1.00 34.13 H new ATOM 0 HB THR A 121 -30.068 -1.625 12.572 1.00 63.23 H new ATOM 0 HG1 THR A 121 -28.808 0.202 10.766 1.00 52.45 H new ATOM 0 HG21 THR A 121 -27.643 -1.804 12.153 1.00 42.21 H new ATOM 0 HG22 THR A 121 -28.528 -3.204 11.501 1.00 42.21 H new ATOM 0 HG23 THR A 121 -27.958 -1.922 10.406 1.00 42.21 H new ATOM 1989 N GLN A 122 -32.367 -0.067 10.624 1.00 55.31 N ATOM 1990 CA GLN A 122 -33.651 0.535 10.963 1.00 14.33 C ATOM 1991 C GLN A 122 -34.800 -0.228 10.312 1.00 22.41 C ATOM 1992 O GLN A 122 -35.860 -0.402 10.912 1.00 71.23 O ATOM 1993 CB GLN A 122 -33.684 2.000 10.524 1.00 3.23 C ATOM 1994 CG GLN A 122 -35.051 2.649 10.669 1.00 70.43 C ATOM 1995 CD GLN A 122 -34.971 4.157 10.796 1.00 10.11 C ATOM 1996 OE1 GLN A 122 -34.973 4.877 9.797 1.00 0.02 O ATOM 1997 NE2 GLN A 122 -34.900 4.644 12.029 1.00 13.44 N ATOM 0 H GLN A 122 -31.727 0.555 10.130 1.00 55.31 H new ATOM 0 HA GLN A 122 -33.772 0.484 12.045 1.00 14.33 H new ATOM 0 HB2 GLN A 122 -32.960 2.563 11.112 1.00 3.23 H new ATOM 0 HB3 GLN A 122 -33.369 2.066 9.483 1.00 3.23 H new ATOM 0 HG2 GLN A 122 -35.664 2.393 9.805 1.00 70.43 H new ATOM 0 HG3 GLN A 122 -35.552 2.240 11.547 1.00 70.43 H new ATOM 0 HE21 GLN A 122 -34.901 4.010 12.828 1.00 13.44 H new ATOM 0 HE22 GLN A 122 -34.844 5.652 12.177 1.00 13.44 H new ATOM 2006 N GLU A 123 -34.580 -0.681 9.082 1.00 73.53 N ATOM 2007 CA GLU A 123 -35.598 -1.426 8.350 1.00 55.55 C ATOM 2008 C GLU A 123 -35.672 -2.870 8.836 1.00 61.00 C ATOM 2009 O GLU A 123 -36.756 -3.402 9.078 1.00 43.23 O ATOM 2010 CB GLU A 123 -35.303 -1.396 6.849 1.00 41.35 C ATOM 2011 CG GLU A 123 -35.293 -2.771 6.203 1.00 63.03 C ATOM 2012 CD GLU A 123 -36.600 -3.516 6.395 1.00 4.41 C ATOM 2013 OE1 GLU A 123 -37.657 -2.853 6.443 1.00 74.32 O ATOM 2014 OE2 GLU A 123 -36.565 -4.759 6.498 1.00 22.53 O ATOM 0 H GLU A 123 -33.707 -0.546 8.572 1.00 73.53 H new ATOM 0 HA GLU A 123 -36.561 -0.950 8.534 1.00 55.55 H new ATOM 0 HB2 GLU A 123 -36.050 -0.776 6.353 1.00 41.35 H new ATOM 0 HB3 GLU A 123 -34.336 -0.921 6.687 1.00 41.35 H new ATOM 0 HG2 GLU A 123 -35.092 -2.666 5.137 1.00 63.03 H new ATOM 0 HG3 GLU A 123 -34.478 -3.360 6.624 1.00 63.03 H new ATOM 2021 N LYS A 124 -34.511 -3.500 8.977 1.00 63.32 N ATOM 2022 CA LYS A 124 -34.441 -4.883 9.435 1.00 44.13 C ATOM 2023 C LYS A 124 -34.956 -5.009 10.865 1.00 62.12 C ATOM 2024 O LYS A 124 -35.560 -6.018 11.231 1.00 32.11 O ATOM 2025 CB LYS A 124 -33.001 -5.397 9.353 1.00 54.44 C ATOM 2026 CG LYS A 124 -32.885 -6.785 8.747 1.00 4.41 C ATOM 2027 CD LYS A 124 -33.240 -6.780 7.270 1.00 74.32 C ATOM 2028 CE LYS A 124 -32.426 -5.750 6.503 1.00 1.54 C ATOM 2029 NZ LYS A 124 -31.978 -6.268 5.181 1.00 23.34 N ATOM 0 H LYS A 124 -33.605 -3.075 8.781 1.00 63.32 H new ATOM 0 HA LYS A 124 -35.074 -5.487 8.785 1.00 44.13 H new ATOM 0 HB2 LYS A 124 -32.408 -4.700 8.760 1.00 54.44 H new ATOM 0 HB3 LYS A 124 -32.571 -5.410 10.354 1.00 54.44 H new ATOM 0 HG2 LYS A 124 -31.868 -7.156 8.876 1.00 4.41 H new ATOM 0 HG3 LYS A 124 -33.544 -7.471 9.278 1.00 4.41 H new ATOM 0 HD2 LYS A 124 -33.064 -7.770 6.849 1.00 74.32 H new ATOM 0 HD3 LYS A 124 -34.302 -6.567 7.151 1.00 74.32 H new ATOM 0 HE2 LYS A 124 -33.024 -4.851 6.357 1.00 1.54 H new ATOM 0 HE3 LYS A 124 -31.556 -5.462 7.094 1.00 1.54 H new ATOM 0 HZ1 LYS A 124 -31.162 -5.715 4.850 1.00 23.34 H new ATOM 0 HZ2 LYS A 124 -31.704 -7.267 5.274 1.00 23.34 H new ATOM 0 HZ3 LYS A 124 -32.754 -6.184 4.494 1.00 23.34 H new ATOM 2043 N LEU A 125 -34.715 -3.979 11.669 1.00 63.43 N ATOM 2044 CA LEU A 125 -35.156 -3.974 13.059 1.00 20.51 C ATOM 2045 C LEU A 125 -36.676 -3.881 13.148 1.00 61.02 C ATOM 2046 O LEU A 125 -37.306 -4.584 13.938 1.00 1.33 O ATOM 2047 CB LEU A 125 -34.517 -2.807 13.813 1.00 30.25 C ATOM 2048 CG LEU A 125 -35.232 -2.361 15.089 1.00 2.23 C ATOM 2049 CD1 LEU A 125 -35.616 -3.565 15.935 1.00 11.11 C ATOM 2050 CD2 LEU A 125 -34.355 -1.405 15.886 1.00 61.54 C ATOM 0 H LEU A 125 -34.217 -3.137 11.382 1.00 63.43 H new ATOM 0 HA LEU A 125 -34.841 -4.911 13.518 1.00 20.51 H new ATOM 0 HB2 LEU A 125 -33.495 -3.083 14.071 1.00 30.25 H new ATOM 0 HB3 LEU A 125 -34.456 -1.954 13.137 1.00 30.25 H new ATOM 0 HG LEU A 125 -36.144 -1.836 14.806 1.00 2.23 H new ATOM 0 HD11 LEU A 125 -36.124 -3.228 16.839 1.00 11.11 H new ATOM 0 HD12 LEU A 125 -36.282 -4.213 15.365 1.00 11.11 H new ATOM 0 HD13 LEU A 125 -34.718 -4.119 16.209 1.00 11.11 H new ATOM 0 HD21 LEU A 125 -34.880 -1.098 16.791 1.00 61.54 H new ATOM 0 HD22 LEU A 125 -33.425 -1.905 16.158 1.00 61.54 H new ATOM 0 HD23 LEU A 125 -34.131 -0.527 15.281 1.00 61.54 H new ATOM 2062 N ASP A 126 -37.258 -3.011 12.330 1.00 14.14 N ATOM 2063 CA ASP A 126 -38.705 -2.828 12.314 1.00 51.32 C ATOM 2064 C ASP A 126 -39.404 -4.068 11.765 1.00 44.23 C ATOM 2065 O ASP A 126 -40.479 -4.443 12.231 1.00 63.12 O ATOM 2066 CB ASP A 126 -39.076 -1.604 11.474 1.00 31.42 C ATOM 2067 CG ASP A 126 -40.423 -1.755 10.795 1.00 60.43 C ATOM 2068 OD1 ASP A 126 -41.353 -2.288 11.435 1.00 74.24 O ATOM 2069 OD2 ASP A 126 -40.546 -1.341 9.623 1.00 74.53 O ATOM 0 H ASP A 126 -36.751 -2.422 11.670 1.00 14.14 H new ATOM 0 HA ASP A 126 -39.038 -2.670 13.340 1.00 51.32 H new ATOM 0 HB2 ASP A 126 -39.091 -0.720 12.112 1.00 31.42 H new ATOM 0 HB3 ASP A 126 -38.308 -1.439 10.718 1.00 31.42 H new ATOM 2074 N GLU A 127 -38.785 -4.698 10.771 1.00 21.21 N ATOM 2075 CA GLU A 127 -39.349 -5.895 10.158 1.00 51.22 C ATOM 2076 C GLU A 127 -39.463 -7.026 11.176 1.00 41.12 C ATOM 2077 O GLU A 127 -40.334 -7.889 11.067 1.00 70.14 O ATOM 2078 CB GLU A 127 -38.488 -6.343 8.975 1.00 31.01 C ATOM 2079 CG GLU A 127 -37.460 -7.402 9.337 1.00 12.22 C ATOM 2080 CD GLU A 127 -37.982 -8.812 9.142 1.00 30.24 C ATOM 2081 OE1 GLU A 127 -39.217 -8.994 9.144 1.00 14.11 O ATOM 2082 OE2 GLU A 127 -37.154 -9.734 8.988 1.00 60.41 O ATOM 0 H GLU A 127 -37.894 -4.400 10.374 1.00 21.21 H new ATOM 0 HA GLU A 127 -40.349 -5.651 9.799 1.00 51.22 H new ATOM 0 HB2 GLU A 127 -39.137 -6.732 8.191 1.00 31.01 H new ATOM 0 HB3 GLU A 127 -37.974 -5.475 8.562 1.00 31.01 H new ATOM 0 HG2 GLU A 127 -36.568 -7.261 8.726 1.00 12.22 H new ATOM 0 HG3 GLU A 127 -37.159 -7.270 10.376 1.00 12.22 H new ATOM 2089 N PHE A 128 -38.576 -7.015 12.165 1.00 0.13 N ATOM 2090 CA PHE A 128 -38.575 -8.040 13.202 1.00 1.05 C ATOM 2091 C PHE A 128 -39.688 -7.790 14.216 1.00 52.14 C ATOM 2092 O PHE A 128 -40.238 -8.728 14.792 1.00 12.31 O ATOM 2093 CB PHE A 128 -37.221 -8.074 13.914 1.00 63.20 C ATOM 2094 CG PHE A 128 -36.490 -9.376 13.750 1.00 33.44 C ATOM 2095 CD1 PHE A 128 -36.816 -10.471 14.535 1.00 65.54 C ATOM 2096 CD2 PHE A 128 -35.479 -9.506 12.812 1.00 11.41 C ATOM 2097 CE1 PHE A 128 -36.144 -11.671 14.387 1.00 54.45 C ATOM 2098 CE2 PHE A 128 -34.805 -10.702 12.659 1.00 23.52 C ATOM 2099 CZ PHE A 128 -35.139 -11.787 13.447 1.00 44.41 C ATOM 0 H PHE A 128 -37.849 -6.308 12.270 1.00 0.13 H new ATOM 0 HA PHE A 128 -38.752 -9.004 12.724 1.00 1.05 H new ATOM 0 HB2 PHE A 128 -36.598 -7.266 13.531 1.00 63.20 H new ATOM 0 HB3 PHE A 128 -37.373 -7.883 14.976 1.00 63.20 H new ATOM 0 HD1 PHE A 128 -37.603 -10.386 15.270 1.00 65.54 H new ATOM 0 HD2 PHE A 128 -35.214 -8.662 12.193 1.00 11.41 H new ATOM 0 HE1 PHE A 128 -36.405 -12.517 15.006 1.00 54.45 H new ATOM 0 HE2 PHE A 128 -34.018 -10.789 11.924 1.00 23.52 H new ATOM 0 HZ PHE A 128 -34.615 -12.724 13.328 1.00 44.41 H new