USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=31 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 71 THR OG1 : rot 153:sc= 0.636 USER MOD Set 1.2: A 77 THR OG1 : rot 180:sc= 0.57 USER MOD Set 2.1: A 62 SER OG : rot 170:sc= 0.0228 USER MOD Set 2.2: A 88 ASN : amide:sc= -3.5! C(o=-3.5!,f=-3.8!) USER MOD Set 3.1: A 26 TYR OH : rot 30:sc= 0.601 USER MOD Set 3.2: A 118 THR OG1 : rot 120:sc= 0.4 USER MOD Single : A 10 GLN : amide:sc=-0.00351 X(o=-0.0035,f=-0.14) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -10.8! C(o=-11!,f=-14!) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -173:sc= -0.263 (180deg=-0.394) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -48:sc= 0.949 USER MOD Single : A 45 GLN : amide:sc= -2.11 K(o=-2.1,f=-2.8!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -24:sc= -1.03 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 : no HE2:sc= -3.79! C(o=-3.8!,f=-4.4!) USER MOD Single : A 70 MET CE :methyl 176:sc= -5.55! (180deg=-5.78!) USER MOD Single : A 73 MET CE :methyl -130:sc= -2.1 (180deg=-5.28!) USER MOD Single : A 74 TYR OH : rot -100:sc= -0.182 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -166:sc= -0.101 (180deg=-0.5) USER MOD Single : A 85 ASN : amide:sc= -1.77 K(o=-1.8,f=-0.032) USER MOD Single : A 87 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.25) USER MOD Single : A 90 MET CE :methyl -153:sc= -0.257 (180deg=-0.922) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -2.19 K(o=-2.2,f=-0.58) USER MOD Single : A 95 GLN : amide:sc= 0.213 K(o=0.21,f=-2.9!) USER MOD Single : A 96 MET CE :methyl 165:sc= -3.2 (180deg=-3.96!) 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+ 158:sc= -0.136 (180deg=-0.55) USER MOD Single : A 105 HIS : no HD1:sc= -0.304 K(o=-0.3,f=-1.2) 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 108 SER OG : rot -130:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -80:sc= 0.92 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N LEU A 8 -3.476 10.471 4.811 1.00 51.45 N ATOM 110 CA LEU A 8 -4.686 10.213 5.584 1.00 43.30 C ATOM 111 C LEU A 8 -5.482 11.497 5.794 1.00 54.14 C ATOM 112 O LEU A 8 -6.712 11.474 5.848 1.00 51.52 O ATOM 113 CB LEU A 8 -4.328 9.595 6.937 1.00 43.24 C ATOM 114 CG LEU A 8 -3.808 8.157 6.901 1.00 14.42 C ATOM 115 CD1 LEU A 8 -3.722 7.586 8.308 1.00 3.41 C ATOM 116 CD2 LEU A 8 -4.701 7.290 6.026 1.00 65.45 C ATOM 0 HA LEU A 8 -5.304 9.512 5.023 1.00 43.30 H new ATOM 0 HB2 LEU A 8 -3.573 10.222 7.412 1.00 43.24 H new ATOM 0 HB3 LEU A 8 -5.213 9.625 7.573 1.00 43.24 H new ATOM 0 HG LEU A 8 -2.806 8.163 6.471 1.00 14.42 H new ATOM 0 HD11 LEU A 8 -3.350 6.562 8.263 1.00 3.41 H new ATOM 0 HD12 LEU A 8 -3.042 8.193 8.906 1.00 3.41 H new ATOM 0 HD13 LEU A 8 -4.712 7.593 8.765 1.00 3.41 H new ATOM 0 HD21 LEU A 8 -4.317 6.270 6.012 1.00 65.45 H new ATOM 0 HD22 LEU A 8 -5.714 7.290 6.427 1.00 65.45 H new ATOM 0 HD23 LEU A 8 -4.713 7.688 5.011 1.00 65.45 H new ATOM 128 N ASP A 9 -4.774 12.615 5.909 1.00 64.33 N ATOM 129 CA ASP A 9 -5.414 13.909 6.109 1.00 55.31 C ATOM 130 C ASP A 9 -6.509 14.140 5.071 1.00 4.22 C ATOM 131 O ASP A 9 -7.532 14.758 5.363 1.00 50.35 O ATOM 132 CB ASP A 9 -4.379 15.032 6.034 1.00 5.05 C ATOM 133 CG ASP A 9 -3.236 14.831 7.010 1.00 23.02 C ATOM 134 OD1 ASP A 9 -3.179 13.757 7.644 1.00 73.41 O ATOM 135 OD2 ASP A 9 -2.398 15.748 7.141 1.00 52.43 O ATOM 0 H ASP A 9 -3.755 12.651 5.867 1.00 64.33 H new ATOM 0 HA ASP A 9 -5.870 13.911 7.099 1.00 55.31 H new ATOM 0 HB2 ASP A 9 -3.982 15.089 5.021 1.00 5.05 H new ATOM 0 HB3 ASP A 9 -4.866 15.985 6.240 1.00 5.05 H new ATOM 140 N GLN A 10 -6.284 13.640 3.860 1.00 3.34 N ATOM 141 CA GLN A 10 -7.250 13.794 2.779 1.00 11.34 C ATOM 142 C GLN A 10 -8.532 13.024 3.081 1.00 4.42 C ATOM 143 O GLN A 10 -9.630 13.473 2.750 1.00 25.21 O ATOM 144 CB GLN A 10 -6.650 13.311 1.458 1.00 51.21 C ATOM 145 CG GLN A 10 -5.289 13.914 1.151 1.00 3.24 C ATOM 146 CD GLN A 10 -5.389 15.262 0.466 1.00 43.54 C ATOM 147 OE1 GLN A 10 -6.059 15.403 -0.558 1.00 3.21 O ATOM 148 NE2 GLN A 10 -4.721 16.264 1.027 1.00 31.42 N ATOM 0 H GLN A 10 -5.442 13.125 3.603 1.00 3.34 H new ATOM 0 HA GLN A 10 -7.495 14.853 2.693 1.00 11.34 H new ATOM 0 HB2 GLN A 10 -6.559 12.225 1.485 1.00 51.21 H new ATOM 0 HB3 GLN A 10 -7.337 13.553 0.647 1.00 51.21 H new ATOM 0 HG2 GLN A 10 -4.727 14.023 2.078 1.00 3.24 H new ATOM 0 HG3 GLN A 10 -4.727 13.229 0.516 1.00 3.24 H new ATOM 0 HE21 GLN A 10 -4.178 16.103 1.875 1.00 31.42 H new ATOM 0 HE22 GLN A 10 -4.751 17.194 0.609 1.00 31.42 H new ATOM 157 N TYR A 11 -8.384 11.864 3.711 1.00 53.13 N ATOM 158 CA TYR A 11 -9.530 11.030 4.055 1.00 40.34 C ATOM 159 C TYR A 11 -10.424 11.727 5.076 1.00 41.13 C ATOM 160 O TYR A 11 -11.624 11.462 5.150 1.00 11.33 O ATOM 161 CB TYR A 11 -9.060 9.684 4.607 1.00 63.43 C ATOM 162 CG TYR A 11 -8.425 8.790 3.565 1.00 54.12 C ATOM 163 CD1 TYR A 11 -8.988 8.654 2.302 1.00 51.32 C ATOM 164 CD2 TYR A 11 -7.263 8.082 3.843 1.00 5.44 C ATOM 165 CE1 TYR A 11 -8.412 7.838 1.347 1.00 14.53 C ATOM 166 CE2 TYR A 11 -6.679 7.265 2.894 1.00 1.44 C ATOM 167 CZ TYR A 11 -7.258 7.146 1.648 1.00 2.32 C ATOM 168 OH TYR A 11 -6.680 6.334 0.700 1.00 74.24 O ATOM 0 H TYR A 11 -7.482 11.480 3.994 1.00 53.13 H new ATOM 0 HA TYR A 11 -10.109 10.861 3.147 1.00 40.34 H new ATOM 0 HB2 TYR A 11 -8.342 9.860 5.408 1.00 63.43 H new ATOM 0 HB3 TYR A 11 -9.911 9.165 5.049 1.00 63.43 H new ATOM 0 HD1 TYR A 11 -9.891 9.195 2.063 1.00 51.32 H new ATOM 0 HD2 TYR A 11 -6.808 8.172 4.818 1.00 5.44 H new ATOM 0 HE1 TYR A 11 -8.863 7.743 0.370 1.00 14.53 H new ATOM 0 HE2 TYR A 11 -5.774 6.723 3.127 1.00 1.44 H new ATOM 0 HH TYR A 11 -5.873 5.920 1.072 1.00 74.24 H new ATOM 178 N TYR A 12 -9.830 12.620 5.860 1.00 32.43 N ATOM 179 CA TYR A 12 -10.571 13.354 6.879 1.00 43.41 C ATOM 180 C TYR A 12 -11.714 14.149 6.255 1.00 44.24 C ATOM 181 O TYR A 12 -12.795 14.257 6.831 1.00 54.42 O ATOM 182 CB TYR A 12 -9.636 14.296 7.639 1.00 4.13 C ATOM 183 CG TYR A 12 -9.497 13.957 9.106 1.00 4.13 C ATOM 184 CD1 TYR A 12 -10.617 13.747 9.900 1.00 31.43 C ATOM 185 CD2 TYR A 12 -8.244 13.846 9.698 1.00 12.40 C ATOM 186 CE1 TYR A 12 -10.495 13.438 11.241 1.00 24.50 C ATOM 187 CE2 TYR A 12 -8.112 13.536 11.038 1.00 52.22 C ATOM 188 CZ TYR A 12 -9.240 13.333 11.805 1.00 12.21 C ATOM 189 OH TYR A 12 -9.114 13.024 13.140 1.00 0.00 O ATOM 0 H TYR A 12 -8.838 12.853 5.809 1.00 32.43 H new ATOM 0 HA TYR A 12 -10.994 12.631 7.576 1.00 43.41 H new ATOM 0 HB2 TYR A 12 -8.651 14.270 7.174 1.00 4.13 H new ATOM 0 HB3 TYR A 12 -10.006 15.317 7.544 1.00 4.13 H new ATOM 0 HD1 TYR A 12 -11.601 13.827 9.461 1.00 31.43 H new ATOM 0 HD2 TYR A 12 -7.359 14.005 9.100 1.00 12.40 H new ATOM 0 HE1 TYR A 12 -11.377 13.280 11.844 1.00 24.50 H new ATOM 0 HE2 TYR A 12 -7.131 13.453 11.482 1.00 52.22 H new ATOM 0 HH TYR A 12 -8.164 12.987 13.379 1.00 0.00 H new ATOM 199 N GLU A 13 -11.464 14.703 5.072 1.00 61.41 N ATOM 200 CA GLU A 13 -12.472 15.488 4.369 1.00 65.23 C ATOM 201 C GLU A 13 -13.727 14.659 4.114 1.00 33.14 C ATOM 202 O GLU A 13 -14.847 15.147 4.268 1.00 33.10 O ATOM 203 CB GLU A 13 -11.912 16.006 3.042 1.00 10.23 C ATOM 204 CG GLU A 13 -10.620 16.792 3.192 1.00 13.12 C ATOM 205 CD GLU A 13 -10.765 18.239 2.763 1.00 2.30 C ATOM 206 OE1 GLU A 13 -10.931 18.484 1.549 1.00 24.25 O ATOM 207 OE2 GLU A 13 -10.712 19.127 3.640 1.00 70.23 O ATOM 0 H GLU A 13 -10.573 14.623 4.581 1.00 61.41 H new ATOM 0 HA GLU A 13 -12.740 16.336 4.999 1.00 65.23 H new ATOM 0 HB2 GLU A 13 -11.738 15.161 2.376 1.00 10.23 H new ATOM 0 HB3 GLU A 13 -12.659 16.639 2.564 1.00 10.23 H new ATOM 0 HG2 GLU A 13 -10.296 16.756 4.232 1.00 13.12 H new ATOM 0 HG3 GLU A 13 -9.839 16.317 2.598 1.00 13.12 H new ATOM 214 N ILE A 14 -13.532 13.404 3.724 1.00 24.14 N ATOM 215 CA ILE A 14 -14.647 12.507 3.449 1.00 13.22 C ATOM 216 C ILE A 14 -15.406 12.165 4.727 1.00 3.02 C ATOM 217 O ILE A 14 -16.635 12.100 4.732 1.00 25.40 O ATOM 218 CB ILE A 14 -14.170 11.203 2.784 1.00 73.22 C ATOM 219 CG1 ILE A 14 -13.752 11.466 1.336 1.00 55.53 C ATOM 220 CG2 ILE A 14 -15.265 10.148 2.841 1.00 31.22 C ATOM 221 CD1 ILE A 14 -12.254 11.517 1.139 1.00 5.20 C ATOM 0 H ILE A 14 -12.611 12.985 3.591 1.00 24.14 H new ATOM 0 HA ILE A 14 -15.312 13.032 2.764 1.00 13.22 H new ATOM 0 HB ILE A 14 -13.304 10.830 3.330 1.00 73.22 H new ATOM 0 HG12 ILE A 14 -14.168 10.685 0.699 1.00 55.53 H new ATOM 0 HG13 ILE A 14 -14.186 12.410 1.007 1.00 55.53 H new ATOM 0 HG21 ILE A 14 -14.913 9.232 2.367 1.00 31.22 H new ATOM 0 HG22 ILE A 14 -15.520 9.944 3.881 1.00 31.22 H new ATOM 0 HG23 ILE A 14 -16.148 10.512 2.316 1.00 31.22 H new ATOM 0 HD11 ILE A 14 -12.031 11.707 0.089 1.00 5.20 H new ATOM 0 HD12 ILE A 14 -11.834 12.316 1.749 1.00 5.20 H new ATOM 0 HD13 ILE A 14 -11.815 10.565 1.436 1.00 5.20 H new ATOM 233 N GLN A 15 -14.664 11.950 5.809 1.00 32.40 N ATOM 234 CA GLN A 15 -15.267 11.615 7.094 1.00 54.32 C ATOM 235 C GLN A 15 -16.151 12.754 7.593 1.00 5.02 C ATOM 236 O GLN A 15 -17.268 12.527 8.059 1.00 50.52 O ATOM 237 CB GLN A 15 -14.182 11.306 8.126 1.00 64.12 C ATOM 238 CG GLN A 15 -13.145 10.307 7.637 1.00 2.22 C ATOM 239 CD GLN A 15 -13.593 8.869 7.809 1.00 11.34 C ATOM 240 OE1 GLN A 15 -14.760 8.541 7.594 1.00 31.30 O ATOM 241 NE2 GLN A 15 -12.666 8.003 8.199 1.00 22.54 N ATOM 0 H GLN A 15 -13.645 12.002 5.821 1.00 32.40 H new ATOM 0 HA GLN A 15 -15.888 10.730 6.956 1.00 54.32 H new ATOM 0 HB2 GLN A 15 -13.680 12.233 8.402 1.00 64.12 H new ATOM 0 HB3 GLN A 15 -14.652 10.917 9.030 1.00 64.12 H new ATOM 0 HG2 GLN A 15 -12.934 10.494 6.584 1.00 2.22 H new ATOM 0 HG3 GLN A 15 -12.213 10.461 8.181 1.00 2.22 H new ATOM 0 HE21 GLN A 15 -11.711 8.319 8.366 1.00 22.54 H new ATOM 0 HE22 GLN A 15 -12.909 7.021 8.332 1.00 22.54 H new ATOM 250 N CYS A 16 -15.642 13.977 7.494 1.00 54.32 N ATOM 251 CA CYS A 16 -16.385 15.152 7.937 1.00 41.02 C ATOM 252 C CYS A 16 -17.714 15.266 7.197 1.00 30.24 C ATOM 253 O CYS A 16 -18.751 15.537 7.802 1.00 24.50 O ATOM 254 CB CYS A 16 -15.555 16.418 7.717 1.00 33.05 C ATOM 255 SG CYS A 16 -15.969 17.775 8.839 1.00 62.13 S ATOM 0 H CYS A 16 -14.719 14.181 7.111 1.00 54.32 H new ATOM 0 HA CYS A 16 -16.591 15.041 9.002 1.00 41.02 H new ATOM 0 HB2 CYS A 16 -14.499 16.173 7.834 1.00 33.05 H new ATOM 0 HB3 CYS A 16 -15.692 16.755 6.690 1.00 33.05 H new ATOM 0 HG CYS A 16 -15.213 18.800 8.578 1.00 62.13 H new ATOM 261 N ASN A 17 -17.675 15.059 5.885 1.00 22.31 N ATOM 262 CA ASN A 17 -18.876 15.140 5.062 1.00 12.43 C ATOM 263 C ASN A 17 -19.940 14.164 5.554 1.00 30.15 C ATOM 264 O ASN A 17 -21.136 14.441 5.471 1.00 31.31 O ATOM 265 CB ASN A 17 -18.538 14.849 3.599 1.00 60.41 C ATOM 266 CG ASN A 17 -19.674 14.158 2.870 1.00 71.04 C ATOM 267 OD1 ASN A 17 -20.689 14.777 2.550 1.00 10.43 O ATOM 268 ND2 ASN A 17 -19.508 12.868 2.603 1.00 70.24 N ATOM 0 H ASN A 17 -16.825 14.834 5.369 1.00 22.31 H new ATOM 0 HA ASN A 17 -19.273 16.152 5.142 1.00 12.43 H new ATOM 0 HB2 ASN A 17 -18.299 15.783 3.091 1.00 60.41 H new ATOM 0 HB3 ASN A 17 -17.646 14.224 3.552 1.00 60.41 H new ATOM 0 HD21 ASN A 17 -20.238 12.350 2.114 1.00 70.24 H new ATOM 0 HD22 ASN A 17 -18.650 12.395 2.887 1.00 70.24 H new ATOM 275 N GLU A 18 -19.495 13.021 6.068 1.00 42.23 N ATOM 276 CA GLU A 18 -20.409 12.004 6.573 1.00 31.10 C ATOM 277 C GLU A 18 -21.158 12.508 7.804 1.00 44.14 C ATOM 278 O GLU A 18 -22.341 12.219 7.986 1.00 20.03 O ATOM 279 CB GLU A 18 -19.644 10.724 6.917 1.00 50.23 C ATOM 280 CG GLU A 18 -18.679 10.281 5.830 1.00 53.24 C ATOM 281 CD GLU A 18 -19.169 9.059 5.077 1.00 14.32 C ATOM 282 OE1 GLU A 18 -19.627 8.102 5.736 1.00 63.30 O ATOM 283 OE2 GLU A 18 -19.096 9.060 3.831 1.00 44.12 O ATOM 0 H GLU A 18 -18.508 12.777 6.145 1.00 42.23 H new ATOM 0 HA GLU A 18 -21.136 11.785 5.791 1.00 31.10 H new ATOM 0 HB2 GLU A 18 -19.089 10.880 7.842 1.00 50.23 H new ATOM 0 HB3 GLU A 18 -20.359 9.923 7.105 1.00 50.23 H new ATOM 0 HG2 GLU A 18 -18.529 11.100 5.127 1.00 53.24 H new ATOM 0 HG3 GLU A 18 -17.709 10.063 6.277 1.00 53.24 H new ATOM 290 N LEU A 19 -20.460 13.263 8.645 1.00 23.20 N ATOM 291 CA LEU A 19 -21.057 13.808 9.859 1.00 22.34 C ATOM 292 C LEU A 19 -22.150 14.817 9.523 1.00 32.43 C ATOM 293 O LEU A 19 -23.270 14.721 10.024 1.00 53.44 O ATOM 294 CB LEU A 19 -19.984 14.470 10.726 1.00 52.44 C ATOM 295 CG LEU A 19 -19.210 13.542 11.663 1.00 53.43 C ATOM 296 CD1 LEU A 19 -18.613 12.378 10.888 1.00 52.24 C ATOM 297 CD2 LEU A 19 -18.121 14.312 12.396 1.00 52.13 C ATOM 0 H LEU A 19 -19.480 13.512 8.509 1.00 23.20 H new ATOM 0 HA LEU A 19 -21.507 12.985 10.414 1.00 22.34 H new ATOM 0 HB2 LEU A 19 -19.270 14.967 10.069 1.00 52.44 H new ATOM 0 HB3 LEU A 19 -20.459 15.246 11.327 1.00 52.44 H new ATOM 0 HG LEU A 19 -19.904 13.142 12.402 1.00 53.43 H new ATOM 0 HD11 LEU A 19 -18.066 11.728 11.571 1.00 52.24 H new ATOM 0 HD12 LEU A 19 -19.412 11.811 10.410 1.00 52.24 H new ATOM 0 HD13 LEU A 19 -17.933 12.759 10.126 1.00 52.24 H new ATOM 0 HD21 LEU A 19 -17.580 13.636 13.058 1.00 52.13 H new ATOM 0 HD22 LEU A 19 -17.429 14.741 11.672 1.00 52.13 H new ATOM 0 HD23 LEU A 19 -18.573 15.111 12.984 1.00 52.13 H new ATOM 309 N GLU A 20 -21.817 15.781 8.671 1.00 2.01 N ATOM 310 CA GLU A 20 -22.772 16.806 8.267 1.00 3.44 C ATOM 311 C GLU A 20 -23.884 16.207 7.412 1.00 51.33 C ATOM 312 O GLU A 20 -25.027 16.663 7.452 1.00 25.13 O ATOM 313 CB GLU A 20 -22.062 17.920 7.494 1.00 22.31 C ATOM 314 CG GLU A 20 -20.910 17.425 6.636 1.00 43.34 C ATOM 315 CD GLU A 20 -20.481 18.441 5.594 1.00 24.43 C ATOM 316 OE1 GLU A 20 -21.367 19.055 4.965 1.00 14.43 O ATOM 317 OE2 GLU A 20 -19.259 18.620 5.408 1.00 11.30 O ATOM 0 H GLU A 20 -20.894 15.874 8.247 1.00 2.01 H new ATOM 0 HA GLU A 20 -23.218 17.227 9.168 1.00 3.44 H new ATOM 0 HB2 GLU A 20 -22.786 18.428 6.857 1.00 22.31 H new ATOM 0 HB3 GLU A 20 -21.686 18.659 8.201 1.00 22.31 H new ATOM 0 HG2 GLU A 20 -20.061 17.186 7.277 1.00 43.34 H new ATOM 0 HG3 GLU A 20 -21.203 16.501 6.138 1.00 43.34 H new ATOM 324 N ALA A 21 -23.540 15.183 6.637 1.00 15.51 N ATOM 325 CA ALA A 21 -24.509 14.521 5.773 1.00 71.32 C ATOM 326 C ALA A 21 -25.578 13.807 6.593 1.00 73.33 C ATOM 327 O ALA A 21 -26.774 13.973 6.350 1.00 50.30 O ATOM 328 CB ALA A 21 -23.806 13.538 4.848 1.00 21.35 C ATOM 0 H ALA A 21 -22.598 14.795 6.590 1.00 15.51 H new ATOM 0 HA ALA A 21 -25.001 15.283 5.169 1.00 71.32 H new ATOM 0 HB1 ALA A 21 -24.542 13.051 4.208 1.00 21.35 H new ATOM 0 HB2 ALA A 21 -23.085 14.072 4.230 1.00 21.35 H new ATOM 0 HB3 ALA A 21 -23.287 12.786 5.443 1.00 21.35 H new ATOM 334 N ILE A 22 -25.140 13.011 7.563 1.00 54.33 N ATOM 335 CA ILE A 22 -26.061 12.273 8.418 1.00 22.51 C ATOM 336 C ILE A 22 -26.686 13.184 9.469 1.00 72.41 C ATOM 337 O ILE A 22 -27.847 13.013 9.841 1.00 12.22 O ATOM 338 CB ILE A 22 -25.355 11.101 9.126 1.00 65.04 C ATOM 339 CG1 ILE A 22 -25.323 9.872 8.215 1.00 24.54 C ATOM 340 CG2 ILE A 22 -26.052 10.777 10.438 1.00 21.03 C ATOM 341 CD1 ILE A 22 -25.166 10.209 6.749 1.00 10.12 C ATOM 0 H ILE A 22 -24.154 12.861 7.776 1.00 54.33 H new ATOM 0 HA ILE A 22 -26.844 11.878 7.771 1.00 22.51 H new ATOM 0 HB ILE A 22 -24.328 11.394 9.346 1.00 65.04 H new ATOM 0 HG12 ILE A 22 -24.501 9.225 8.521 1.00 24.54 H new ATOM 0 HG13 ILE A 22 -26.243 9.304 8.352 1.00 24.54 H new ATOM 0 HG21 ILE A 22 -25.541 9.947 10.926 1.00 21.03 H new ATOM 0 HG22 ILE A 22 -26.027 11.651 11.089 1.00 21.03 H new ATOM 0 HG23 ILE A 22 -27.088 10.500 10.241 1.00 21.03 H new ATOM 0 HD11 ILE A 22 -25.151 9.290 6.164 1.00 10.12 H new ATOM 0 HD12 ILE A 22 -26.001 10.831 6.427 1.00 10.12 H new ATOM 0 HD13 ILE A 22 -24.232 10.750 6.598 1.00 10.12 H new ATOM 353 N ARG A 23 -25.909 14.153 9.942 1.00 72.41 N ATOM 354 CA ARG A 23 -26.387 15.092 10.949 1.00 30.35 C ATOM 355 C ARG A 23 -27.702 15.732 10.516 1.00 75.13 C ATOM 356 O ARG A 23 -28.568 16.017 11.343 1.00 11.01 O ATOM 357 CB ARG A 23 -25.339 16.177 11.204 1.00 60.32 C ATOM 358 CG ARG A 23 -24.316 15.799 12.262 1.00 23.13 C ATOM 359 CD ARG A 23 -23.039 16.613 12.119 1.00 53.00 C ATOM 360 NE ARG A 23 -23.160 17.933 12.733 1.00 21.52 N ATOM 361 CZ ARG A 23 -22.147 18.783 12.853 1.00 65.13 C ATOM 362 NH1 ARG A 23 -20.944 18.454 12.402 1.00 61.31 N ATOM 363 NH2 ARG A 23 -22.335 19.966 13.424 1.00 72.24 N ATOM 0 H ARG A 23 -24.946 14.308 9.644 1.00 72.41 H new ATOM 0 HA ARG A 23 -26.559 14.539 11.872 1.00 30.35 H new ATOM 0 HB2 ARG A 23 -24.820 16.395 10.271 1.00 60.32 H new ATOM 0 HB3 ARG A 23 -25.844 17.093 11.510 1.00 60.32 H new ATOM 0 HG2 ARG A 23 -24.741 15.958 13.253 1.00 23.13 H new ATOM 0 HG3 ARG A 23 -24.083 14.737 12.181 1.00 23.13 H new ATOM 0 HD2 ARG A 23 -22.212 16.073 12.580 1.00 53.00 H new ATOM 0 HD3 ARG A 23 -22.797 16.726 11.062 1.00 53.00 H new ATOM 0 HE ARG A 23 -24.073 18.217 13.089 1.00 21.52 H new ATOM 0 HH11 ARG A 23 -20.795 17.546 11.962 1.00 61.31 H new ATOM 0 HH12 ARG A 23 -20.168 19.109 12.495 1.00 61.31 H new ATOM 0 HH21 ARG A 23 -23.259 20.224 13.772 1.00 72.24 H new ATOM 0 HH22 ARG A 23 -21.556 20.618 13.515 1.00 72.24 H new ATOM 377 N SER A 24 -27.845 15.955 9.213 1.00 2.32 N ATOM 378 CA SER A 24 -29.052 16.566 8.670 1.00 74.33 C ATOM 379 C SER A 24 -30.252 15.637 8.833 1.00 24.34 C ATOM 380 O SER A 24 -31.374 16.089 9.062 1.00 21.23 O ATOM 381 CB SER A 24 -28.856 16.907 7.192 1.00 43.54 C ATOM 382 OG SER A 24 -28.761 18.308 7.000 1.00 13.42 O ATOM 0 H SER A 24 -27.140 15.721 8.514 1.00 2.32 H new ATOM 0 HA SER A 24 -29.246 17.484 9.225 1.00 74.33 H new ATOM 0 HB2 SER A 24 -27.952 16.424 6.821 1.00 43.54 H new ATOM 0 HB3 SER A 24 -29.690 16.513 6.611 1.00 43.54 H new ATOM 0 HG SER A 24 -28.634 18.500 6.047 1.00 13.42 H new ATOM 388 N ILE A 25 -30.005 14.337 8.714 1.00 32.54 N ATOM 389 CA ILE A 25 -31.063 13.343 8.850 1.00 55.40 C ATOM 390 C ILE A 25 -31.365 13.059 10.317 1.00 33.33 C ATOM 391 O ILE A 25 -32.527 12.984 10.720 1.00 65.42 O ATOM 392 CB ILE A 25 -30.690 12.024 8.149 1.00 75.12 C ATOM 393 CG1 ILE A 25 -30.471 12.260 6.653 1.00 0.11 C ATOM 394 CG2 ILE A 25 -31.775 10.980 8.372 1.00 2.42 C ATOM 395 CD1 ILE A 25 -29.100 11.842 6.170 1.00 21.21 C ATOM 0 H ILE A 25 -29.082 13.947 8.524 1.00 32.54 H new ATOM 0 HA ILE A 25 -31.950 13.759 8.373 1.00 55.40 H new ATOM 0 HB ILE A 25 -29.760 11.652 8.579 1.00 75.12 H new ATOM 0 HG12 ILE A 25 -31.228 11.711 6.092 1.00 0.11 H new ATOM 0 HG13 ILE A 25 -30.617 13.318 6.435 1.00 0.11 H new ATOM 0 HG21 ILE A 25 -31.497 10.053 7.870 1.00 2.42 H new ATOM 0 HG22 ILE A 25 -31.888 10.795 9.440 1.00 2.42 H new ATOM 0 HG23 ILE A 25 -32.719 11.343 7.965 1.00 2.42 H new ATOM 0 HD11 ILE A 25 -29.015 12.038 5.101 1.00 21.21 H new ATOM 0 HD12 ILE A 25 -28.338 12.409 6.704 1.00 21.21 H new ATOM 0 HD13 ILE A 25 -28.958 10.777 6.356 1.00 21.21 H new ATOM 407 N TYR A 26 -30.313 12.903 11.113 1.00 61.35 N ATOM 408 CA TYR A 26 -30.465 12.626 12.536 1.00 62.31 C ATOM 409 C TYR A 26 -30.019 13.820 13.374 1.00 40.10 C ATOM 410 O TYR A 26 -29.294 13.667 14.356 1.00 22.13 O ATOM 411 CB TYR A 26 -29.657 11.386 12.925 1.00 54.03 C ATOM 412 CG TYR A 26 -29.991 10.163 12.100 1.00 3.30 C ATOM 413 CD1 TYR A 26 -31.310 9.821 11.831 1.00 14.31 C ATOM 414 CD2 TYR A 26 -28.986 9.349 11.591 1.00 54.53 C ATOM 415 CE1 TYR A 26 -31.620 8.705 11.079 1.00 61.32 C ATOM 416 CE2 TYR A 26 -29.287 8.232 10.836 1.00 25.12 C ATOM 417 CZ TYR A 26 -30.605 7.914 10.583 1.00 25.42 C ATOM 418 OH TYR A 26 -30.908 6.800 9.833 1.00 4.42 O ATOM 0 H TYR A 26 -29.345 12.964 10.796 1.00 61.35 H new ATOM 0 HA TYR A 26 -31.521 12.440 12.733 1.00 62.31 H new ATOM 0 HB2 TYR A 26 -28.595 11.607 12.819 1.00 54.03 H new ATOM 0 HB3 TYR A 26 -29.833 11.163 13.977 1.00 54.03 H new ATOM 0 HD1 TYR A 26 -32.107 10.439 12.217 1.00 14.31 H new ATOM 0 HD2 TYR A 26 -27.953 9.594 11.789 1.00 54.53 H new ATOM 0 HE1 TYR A 26 -32.651 8.453 10.880 1.00 61.32 H new ATOM 0 HE2 TYR A 26 -28.494 7.611 10.446 1.00 25.12 H new ATOM 0 HH TYR A 26 -31.749 6.948 9.353 1.00 4.42 H new ATOM 428 N MET A 27 -30.459 15.010 12.978 1.00 74.21 N ATOM 429 CA MET A 27 -30.108 16.231 13.693 1.00 41.20 C ATOM 430 C MET A 27 -30.215 16.028 15.201 1.00 51.20 C ATOM 431 O MET A 27 -29.246 16.228 15.934 1.00 53.20 O ATOM 432 CB MET A 27 -31.016 17.383 13.256 1.00 65.42 C ATOM 433 CG MET A 27 -31.076 17.571 11.749 1.00 64.54 C ATOM 434 SD MET A 27 -32.758 17.811 11.145 1.00 24.30 S ATOM 435 CE MET A 27 -33.466 16.197 11.464 1.00 24.25 C ATOM 0 H MET A 27 -31.059 15.154 12.166 1.00 74.21 H new ATOM 0 HA MET A 27 -29.075 16.480 13.450 1.00 41.20 H new ATOM 0 HB2 MET A 27 -32.023 17.204 13.632 1.00 65.42 H new ATOM 0 HB3 MET A 27 -30.664 18.307 13.715 1.00 65.42 H new ATOM 0 HG2 MET A 27 -30.468 18.431 11.470 1.00 64.54 H new ATOM 0 HG3 MET A 27 -30.640 16.700 11.260 1.00 64.54 H new ATOM 0 HE1 MET A 27 -34.465 16.146 11.032 1.00 24.25 H new ATOM 0 HE2 MET A 27 -32.837 15.429 11.015 1.00 24.25 H new ATOM 0 HE3 MET A 27 -33.527 16.033 12.540 1.00 24.25 H new ATOM 445 N ASP A 28 -31.398 15.631 15.657 1.00 24.23 N ATOM 446 CA ASP A 28 -31.631 15.400 17.078 1.00 4.13 C ATOM 447 C ASP A 28 -31.134 14.019 17.493 1.00 25.13 C ATOM 448 O ASP A 28 -30.624 13.838 18.599 1.00 12.15 O ATOM 449 CB ASP A 28 -33.119 15.539 17.402 1.00 71.41 C ATOM 450 CG ASP A 28 -33.633 16.946 17.172 1.00 1.35 C ATOM 451 OD1 ASP A 28 -33.934 17.285 16.009 1.00 1.41 O ATOM 452 OD2 ASP A 28 -33.733 17.709 18.156 1.00 12.43 O ATOM 0 H ASP A 28 -32.210 15.462 15.063 1.00 24.23 H new ATOM 0 HA ASP A 28 -31.074 16.150 17.639 1.00 4.13 H new ATOM 0 HB2 ASP A 28 -33.688 14.842 16.787 1.00 71.41 H new ATOM 0 HB3 ASP A 28 -33.289 15.259 18.441 1.00 71.41 H new ATOM 457 N ASP A 29 -31.286 13.048 16.600 1.00 61.13 N ATOM 458 CA ASP A 29 -30.853 11.682 16.873 1.00 44.52 C ATOM 459 C ASP A 29 -29.351 11.534 16.649 1.00 21.10 C ATOM 460 O ASP A 29 -28.895 10.560 16.048 1.00 15.53 O ATOM 461 CB ASP A 29 -31.613 10.696 15.985 1.00 11.20 C ATOM 462 CG ASP A 29 -32.958 10.310 16.569 1.00 61.02 C ATOM 463 OD1 ASP A 29 -33.639 11.196 17.126 1.00 24.24 O ATOM 464 OD2 ASP A 29 -33.329 9.122 16.469 1.00 73.43 O ATOM 0 H ASP A 29 -31.706 13.181 15.680 1.00 61.13 H new ATOM 0 HA ASP A 29 -31.071 11.460 17.918 1.00 44.52 H new ATOM 0 HB2 ASP A 29 -31.761 11.138 15.000 1.00 11.20 H new ATOM 0 HB3 ASP A 29 -31.010 9.799 15.844 1.00 11.20 H new ATOM 469 N PHE A 30 -28.586 12.506 17.135 1.00 14.12 N ATOM 470 CA PHE A 30 -27.136 12.485 16.987 1.00 61.25 C ATOM 471 C PHE A 30 -26.448 12.710 18.330 1.00 51.21 C ATOM 472 O PHE A 30 -26.689 13.712 19.004 1.00 43.41 O ATOM 473 CB PHE A 30 -26.689 13.553 15.986 1.00 23.23 C ATOM 474 CG PHE A 30 -25.226 13.883 16.076 1.00 71.14 C ATOM 475 CD1 PHE A 30 -24.772 14.842 16.967 1.00 70.31 C ATOM 476 CD2 PHE A 30 -24.305 13.234 15.269 1.00 54.12 C ATOM 477 CE1 PHE A 30 -23.427 15.148 17.050 1.00 21.24 C ATOM 478 CE2 PHE A 30 -22.959 13.536 15.348 1.00 22.32 C ATOM 479 CZ PHE A 30 -22.519 14.493 16.241 1.00 10.10 C ATOM 0 H PHE A 30 -28.947 13.319 17.635 1.00 14.12 H new ATOM 0 HA PHE A 30 -26.848 11.503 16.612 1.00 61.25 H new ATOM 0 HB2 PHE A 30 -26.915 13.210 14.976 1.00 23.23 H new ATOM 0 HB3 PHE A 30 -27.269 14.461 16.152 1.00 23.23 H new ATOM 0 HD1 PHE A 30 -25.477 15.356 17.604 1.00 70.31 H new ATOM 0 HD2 PHE A 30 -24.643 12.483 14.570 1.00 54.12 H new ATOM 0 HE1 PHE A 30 -23.086 15.899 17.747 1.00 21.24 H new ATOM 0 HE2 PHE A 30 -22.252 13.024 14.712 1.00 22.32 H new ATOM 0 HZ PHE A 30 -21.467 14.729 16.307 1.00 10.10 H new ATOM 489 N THR A 31 -25.590 11.770 18.714 1.00 34.11 N ATOM 490 CA THR A 31 -24.869 11.864 19.977 1.00 64.53 C ATOM 491 C THR A 31 -23.374 12.052 19.743 1.00 30.30 C ATOM 492 O THR A 31 -22.776 11.371 18.910 1.00 41.15 O ATOM 493 CB THR A 31 -25.087 10.609 20.843 1.00 33.12 C ATOM 494 OG1 THR A 31 -26.435 10.576 21.327 1.00 44.40 O ATOM 495 CG2 THR A 31 -24.121 10.587 22.018 1.00 43.33 C ATOM 0 H THR A 31 -25.378 10.935 18.168 1.00 34.11 H new ATOM 0 HA THR A 31 -25.265 12.733 20.503 1.00 64.53 H new ATOM 0 HB THR A 31 -24.901 9.731 20.224 1.00 33.12 H new ATOM 0 HG1 THR A 31 -26.566 9.774 21.875 1.00 44.40 H new ATOM 0 HG21 THR A 31 -24.294 9.691 22.615 1.00 43.33 H new ATOM 0 HG22 THR A 31 -23.096 10.583 21.647 1.00 43.33 H new ATOM 0 HG23 THR A 31 -24.279 11.471 22.636 1.00 43.33 H new ATOM 503 N ASP A 32 -22.776 12.978 20.484 1.00 52.11 N ATOM 504 CA ASP A 32 -21.350 13.254 20.358 1.00 1.55 C ATOM 505 C ASP A 32 -20.553 12.487 21.409 1.00 12.10 C ATOM 506 O ASP A 32 -20.679 12.742 22.608 1.00 42.15 O ATOM 507 CB ASP A 32 -21.085 14.755 20.495 1.00 33.32 C ATOM 508 CG ASP A 32 -19.984 15.235 19.571 1.00 24.20 C ATOM 509 OD1 ASP A 32 -20.207 15.258 18.342 1.00 14.44 O ATOM 510 OD2 ASP A 32 -18.898 15.588 20.076 1.00 22.14 O ATOM 0 H ASP A 32 -23.257 13.550 21.178 1.00 52.11 H new ATOM 0 HA ASP A 32 -21.027 12.924 19.370 1.00 1.55 H new ATOM 0 HB2 ASP A 32 -22.002 15.304 20.279 1.00 33.32 H new ATOM 0 HB3 ASP A 32 -20.814 14.980 21.526 1.00 33.32 H new ATOM 515 N LEU A 33 -19.735 11.546 20.952 1.00 24.12 N ATOM 516 CA LEU A 33 -18.918 10.740 21.853 1.00 65.34 C ATOM 517 C LEU A 33 -17.435 11.041 21.660 1.00 41.44 C ATOM 518 O LEU A 33 -16.611 10.746 22.526 1.00 34.42 O ATOM 519 CB LEU A 33 -19.182 9.251 21.618 1.00 44.43 C ATOM 520 CG LEU A 33 -18.065 8.473 20.921 1.00 41.44 C ATOM 521 CD1 LEU A 33 -18.516 7.055 20.610 1.00 73.22 C ATOM 522 CD2 LEU A 33 -17.631 9.188 19.649 1.00 60.32 C ATOM 0 H LEU A 33 -19.619 11.322 19.964 1.00 24.12 H new ATOM 0 HA LEU A 33 -19.191 10.995 22.877 1.00 65.34 H new ATOM 0 HB2 LEU A 33 -19.378 8.781 22.582 1.00 44.43 H new ATOM 0 HB3 LEU A 33 -20.091 9.153 21.024 1.00 44.43 H new ATOM 0 HG LEU A 33 -17.210 8.420 21.595 1.00 41.44 H new ATOM 0 HD11 LEU A 33 -17.708 6.517 20.114 1.00 73.22 H new ATOM 0 HD12 LEU A 33 -18.777 6.545 21.537 1.00 73.22 H new ATOM 0 HD13 LEU A 33 -19.387 7.086 19.955 1.00 73.22 H new ATOM 0 HD21 LEU A 33 -16.836 8.621 19.166 1.00 60.32 H new ATOM 0 HD22 LEU A 33 -18.480 9.272 18.971 1.00 60.32 H new ATOM 0 HD23 LEU A 33 -17.266 10.184 19.898 1.00 60.32 H new ATOM 534 N THR A 34 -17.101 11.635 20.518 1.00 64.44 N ATOM 535 CA THR A 34 -15.718 11.978 20.211 1.00 62.21 C ATOM 536 C THR A 34 -14.983 12.465 21.455 1.00 73.33 C ATOM 537 O THR A 34 -15.602 12.935 22.410 1.00 42.23 O ATOM 538 CB THR A 34 -15.637 13.065 19.122 1.00 21.34 C ATOM 539 OG1 THR A 34 -16.645 12.841 18.130 1.00 31.54 O ATOM 540 CG2 THR A 34 -14.265 13.072 18.466 1.00 62.34 C ATOM 0 H THR A 34 -17.770 11.888 19.791 1.00 64.44 H new ATOM 0 HA THR A 34 -15.241 11.069 19.843 1.00 62.21 H new ATOM 0 HB THR A 34 -15.802 14.034 19.594 1.00 21.34 H new ATOM 0 HG1 THR A 34 -16.632 11.900 17.857 1.00 31.54 H new ATOM 0 HG21 THR A 34 -14.232 13.847 17.701 1.00 62.34 H new ATOM 0 HG22 THR A 34 -13.503 13.272 19.219 1.00 62.34 H new ATOM 0 HG23 THR A 34 -14.076 12.101 18.008 1.00 62.34 H new ATOM 727 N GLN A 45 -11.214 10.442 16.167 1.00 74.24 N ATOM 728 CA GLN A 45 -11.101 10.321 14.718 1.00 52.41 C ATOM 729 C GLN A 45 -12.434 10.623 14.041 1.00 40.32 C ATOM 730 O GLN A 45 -12.733 10.089 12.972 1.00 13.14 O ATOM 731 CB GLN A 45 -10.629 8.917 14.337 1.00 45.40 C ATOM 732 CG GLN A 45 -11.745 7.886 14.311 1.00 61.11 C ATOM 733 CD GLN A 45 -11.385 6.617 15.059 1.00 41.33 C ATOM 734 OE1 GLN A 45 -10.634 6.650 16.034 1.00 33.23 O ATOM 735 NE2 GLN A 45 -11.920 5.490 14.604 1.00 22.04 N ATOM 0 HA GLN A 45 -10.366 11.049 14.374 1.00 52.41 H new ATOM 0 HB2 GLN A 45 -10.158 8.955 13.355 1.00 45.40 H new ATOM 0 HB3 GLN A 45 -9.865 8.595 15.045 1.00 45.40 H new ATOM 0 HG2 GLN A 45 -12.644 8.319 14.749 1.00 61.11 H new ATOM 0 HG3 GLN A 45 -11.982 7.639 13.276 1.00 61.11 H new ATOM 0 HE21 GLN A 45 -12.537 5.510 13.792 1.00 22.04 H new ATOM 0 HE22 GLN A 45 -11.714 4.604 15.066 1.00 22.04 H new ATOM 744 N ILE A 46 -13.230 11.482 14.669 1.00 31.42 N ATOM 745 CA ILE A 46 -14.531 11.854 14.127 1.00 45.55 C ATOM 746 C ILE A 46 -15.615 10.883 14.581 1.00 1.40 C ATOM 747 O ILE A 46 -16.805 11.192 14.516 1.00 12.14 O ATOM 748 CB ILE A 46 -14.507 11.896 12.587 1.00 11.41 C ATOM 749 CG1 ILE A 46 -15.285 13.111 12.076 1.00 34.43 C ATOM 750 CG2 ILE A 46 -15.084 10.611 12.014 1.00 73.15 C ATOM 751 CD1 ILE A 46 -14.399 14.235 11.588 1.00 61.20 C ATOM 0 H ILE A 46 -12.997 11.933 15.553 1.00 31.42 H new ATOM 0 HA ILE A 46 -14.758 12.850 14.507 1.00 45.55 H new ATOM 0 HB ILE A 46 -13.472 11.986 12.256 1.00 11.41 H new ATOM 0 HG12 ILE A 46 -15.940 12.797 11.263 1.00 34.43 H new ATOM 0 HG13 ILE A 46 -15.925 13.485 12.875 1.00 34.43 H new ATOM 0 HG21 ILE A 46 -15.060 10.655 10.925 1.00 73.15 H new ATOM 0 HG22 ILE A 46 -14.492 9.762 12.355 1.00 73.15 H new ATOM 0 HG23 ILE A 46 -16.114 10.493 12.350 1.00 73.15 H new ATOM 0 HD11 ILE A 46 -15.018 15.062 11.241 1.00 61.20 H new ATOM 0 HD12 ILE A 46 -13.762 14.576 12.404 1.00 61.20 H new ATOM 0 HD13 ILE A 46 -13.777 13.878 10.767 1.00 61.20 H new ATOM 763 N ILE A 47 -15.195 9.710 15.042 1.00 11.12 N ATOM 764 CA ILE A 47 -16.130 8.695 15.511 1.00 55.15 C ATOM 765 C ILE A 47 -17.294 9.327 16.268 1.00 64.23 C ATOM 766 O ILE A 47 -17.132 10.348 16.936 1.00 41.33 O ATOM 767 CB ILE A 47 -15.436 7.668 16.424 1.00 63.23 C ATOM 768 CG1 ILE A 47 -14.857 8.360 17.659 1.00 4.40 C ATOM 769 CG2 ILE A 47 -14.343 6.934 15.660 1.00 33.03 C ATOM 770 CD1 ILE A 47 -13.808 9.401 17.333 1.00 54.14 C ATOM 0 H ILE A 47 -14.213 9.439 15.101 1.00 11.12 H new ATOM 0 HA ILE A 47 -16.510 8.184 14.626 1.00 55.15 H new ATOM 0 HB ILE A 47 -16.176 6.938 16.753 1.00 63.23 H new ATOM 0 HG12 ILE A 47 -15.667 8.834 18.213 1.00 4.40 H new ATOM 0 HG13 ILE A 47 -14.419 7.608 18.315 1.00 4.40 H new ATOM 0 HG21 ILE A 47 -13.861 6.211 16.319 1.00 33.03 H new ATOM 0 HG22 ILE A 47 -14.781 6.413 14.808 1.00 33.03 H new ATOM 0 HG23 ILE A 47 -13.603 7.651 15.305 1.00 33.03 H new ATOM 0 HD11 ILE A 47 -13.442 9.850 18.256 1.00 54.14 H new ATOM 0 HD12 ILE A 47 -12.979 8.929 16.805 1.00 54.14 H new ATOM 0 HD13 ILE A 47 -14.246 10.174 16.702 1.00 54.14 H new ATOM 782 N PHE A 48 -18.466 8.711 16.160 1.00 15.31 N ATOM 783 CA PHE A 48 -19.658 9.213 16.835 1.00 23.34 C ATOM 784 C PHE A 48 -20.729 8.130 16.924 1.00 22.54 C ATOM 785 O PHE A 48 -20.693 7.146 16.186 1.00 35.32 O ATOM 786 CB PHE A 48 -20.212 10.434 16.099 1.00 45.04 C ATOM 787 CG PHE A 48 -20.743 10.118 14.730 1.00 41.33 C ATOM 788 CD1 PHE A 48 -19.915 9.578 13.758 1.00 12.54 C ATOM 789 CD2 PHE A 48 -22.070 10.361 14.414 1.00 31.24 C ATOM 790 CE1 PHE A 48 -20.402 9.288 12.498 1.00 64.12 C ATOM 791 CE2 PHE A 48 -22.562 10.072 13.155 1.00 32.25 C ATOM 792 CZ PHE A 48 -21.727 9.534 12.196 1.00 21.43 C ATOM 0 H PHE A 48 -18.616 7.864 15.612 1.00 15.31 H new ATOM 0 HA PHE A 48 -19.376 9.505 17.847 1.00 23.34 H new ATOM 0 HB2 PHE A 48 -21.009 10.877 16.696 1.00 45.04 H new ATOM 0 HB3 PHE A 48 -19.425 11.183 16.011 1.00 45.04 H new ATOM 0 HD1 PHE A 48 -18.878 9.382 13.988 1.00 12.54 H new ATOM 0 HD2 PHE A 48 -22.728 10.781 15.160 1.00 31.24 H new ATOM 0 HE1 PHE A 48 -19.746 8.869 11.749 1.00 64.12 H new ATOM 0 HE2 PHE A 48 -23.598 10.267 12.922 1.00 32.25 H new ATOM 0 HZ PHE A 48 -22.109 9.306 11.212 1.00 21.43 H new ATOM 802 N GLU A 49 -21.679 8.319 17.834 1.00 14.03 N ATOM 803 CA GLU A 49 -22.760 7.358 18.021 1.00 62.41 C ATOM 804 C GLU A 49 -24.091 7.937 17.552 1.00 12.40 C ATOM 805 O GLU A 49 -24.270 9.155 17.513 1.00 52.14 O ATOM 806 CB GLU A 49 -22.859 6.948 19.492 1.00 72.33 C ATOM 807 CG GLU A 49 -21.516 6.635 20.129 1.00 45.33 C ATOM 808 CD GLU A 49 -21.653 5.959 21.479 1.00 51.11 C ATOM 809 OE1 GLU A 49 -22.088 6.632 22.437 1.00 31.00 O ATOM 810 OE2 GLU A 49 -21.326 4.758 21.578 1.00 42.22 O ATOM 0 H GLU A 49 -21.722 9.128 18.453 1.00 14.03 H new ATOM 0 HA GLU A 49 -22.536 6.477 17.420 1.00 62.41 H new ATOM 0 HB2 GLU A 49 -23.339 7.750 20.052 1.00 72.33 H new ATOM 0 HB3 GLU A 49 -23.503 6.072 19.574 1.00 72.33 H new ATOM 0 HG2 GLU A 49 -20.943 5.992 19.461 1.00 45.33 H new ATOM 0 HG3 GLU A 49 -20.949 7.559 20.246 1.00 45.33 H new ATOM 817 N ILE A 50 -25.021 7.057 17.197 1.00 0.14 N ATOM 818 CA ILE A 50 -26.336 7.481 16.732 1.00 64.12 C ATOM 819 C ILE A 50 -27.441 6.651 17.376 1.00 62.11 C ATOM 820 O ILE A 50 -27.291 5.445 17.578 1.00 44.33 O ATOM 821 CB ILE A 50 -26.453 7.371 15.200 1.00 22.11 C ATOM 822 CG1 ILE A 50 -25.618 8.460 14.523 1.00 12.24 C ATOM 823 CG2 ILE A 50 -27.909 7.469 14.772 1.00 54.40 C ATOM 824 CD1 ILE A 50 -26.268 9.826 14.553 1.00 33.35 C ATOM 0 H ILE A 50 -24.888 6.046 17.222 1.00 0.14 H new ATOM 0 HA ILE A 50 -26.453 8.525 17.024 1.00 64.12 H new ATOM 0 HB ILE A 50 -26.068 6.400 14.890 1.00 22.11 H new ATOM 0 HG12 ILE A 50 -24.646 8.518 15.013 1.00 12.24 H new ATOM 0 HG13 ILE A 50 -25.436 8.176 13.487 1.00 12.24 H new ATOM 0 HG21 ILE A 50 -27.975 7.390 13.687 1.00 54.40 H new ATOM 0 HG22 ILE A 50 -28.478 6.660 15.231 1.00 54.40 H new ATOM 0 HG23 ILE A 50 -28.318 8.427 15.091 1.00 54.40 H new ATOM 0 HD11 ILE A 50 -25.620 10.548 14.056 1.00 33.35 H new ATOM 0 HD12 ILE A 50 -27.228 9.784 14.038 1.00 33.35 H new ATOM 0 HD13 ILE A 50 -26.425 10.132 15.587 1.00 33.35 H new ATOM 836 N THR A 51 -28.554 7.304 17.696 1.00 61.21 N ATOM 837 CA THR A 51 -29.686 6.627 18.316 1.00 25.24 C ATOM 838 C THR A 51 -30.625 6.049 17.264 1.00 11.11 C ATOM 839 O THR A 51 -30.896 6.684 16.244 1.00 73.43 O ATOM 840 CB THR A 51 -30.479 7.581 19.229 1.00 74.22 C ATOM 841 OG1 THR A 51 -29.628 8.096 20.258 1.00 22.02 O ATOM 842 CG2 THR A 51 -31.667 6.866 19.856 1.00 1.42 C ATOM 0 H THR A 51 -28.695 8.301 17.536 1.00 61.21 H new ATOM 0 HA THR A 51 -29.278 5.815 18.918 1.00 25.24 H new ATOM 0 HB THR A 51 -30.851 8.405 18.621 1.00 74.22 H new ATOM 0 HG1 THR A 51 -30.140 8.703 20.833 1.00 22.02 H new ATOM 0 HG21 THR A 51 -32.212 7.559 20.497 1.00 1.42 H new ATOM 0 HG22 THR A 51 -32.328 6.501 19.070 1.00 1.42 H new ATOM 0 HG23 THR A 51 -31.312 6.024 20.451 1.00 1.42 H new ATOM 850 N LEU A 52 -31.120 4.843 17.518 1.00 21.21 N ATOM 851 CA LEU A 52 -32.031 4.179 16.592 1.00 11.11 C ATOM 852 C LEU A 52 -33.127 3.433 17.347 1.00 42.20 C ATOM 853 O LEU A 52 -33.000 3.168 18.542 1.00 32.34 O ATOM 854 CB LEU A 52 -31.261 3.207 15.696 1.00 1.43 C ATOM 855 CG LEU A 52 -30.501 3.832 14.526 1.00 41.22 C ATOM 856 CD1 LEU A 52 -29.910 2.751 13.635 1.00 25.32 C ATOM 857 CD2 LEU A 52 -31.416 4.746 13.723 1.00 64.31 C ATOM 0 H LEU A 52 -30.906 4.305 18.358 1.00 21.21 H new ATOM 0 HA LEU A 52 -32.498 4.943 15.971 1.00 11.11 H new ATOM 0 HB2 LEU A 52 -30.550 2.660 16.315 1.00 1.43 H new ATOM 0 HB3 LEU A 52 -31.965 2.476 15.297 1.00 1.43 H new ATOM 0 HG LEU A 52 -29.683 4.431 14.927 1.00 41.22 H new ATOM 0 HD11 LEU A 52 -29.373 3.215 12.808 1.00 25.32 H new ATOM 0 HD12 LEU A 52 -29.222 2.137 14.216 1.00 25.32 H new ATOM 0 HD13 LEU A 52 -30.711 2.125 13.242 1.00 25.32 H new ATOM 0 HD21 LEU A 52 -30.858 5.182 12.894 1.00 64.31 H new ATOM 0 HD22 LEU A 52 -32.255 4.169 13.333 1.00 64.31 H new ATOM 0 HD23 LEU A 52 -31.791 5.542 14.367 1.00 64.31 H new ATOM 869 N ARG A 53 -34.201 3.096 16.640 1.00 3.24 N ATOM 870 CA ARG A 53 -35.318 2.380 17.244 1.00 71.25 C ATOM 871 C ARG A 53 -36.396 2.082 16.206 1.00 74.42 C ATOM 872 O ARG A 53 -36.314 2.532 15.063 1.00 1.12 O ATOM 873 CB ARG A 53 -35.913 3.195 18.393 1.00 32.23 C ATOM 874 CG ARG A 53 -36.670 4.431 17.936 1.00 74.33 C ATOM 875 CD ARG A 53 -35.724 5.575 17.610 1.00 44.21 C ATOM 876 NE ARG A 53 -36.202 6.849 18.140 1.00 11.11 N ATOM 877 CZ ARG A 53 -36.466 7.058 19.425 1.00 35.41 C ATOM 878 NH1 ARG A 53 -36.299 6.081 20.307 1.00 53.45 N ATOM 879 NH2 ARG A 53 -36.899 8.245 19.831 1.00 64.24 N ATOM 0 H ARG A 53 -34.321 3.307 15.649 1.00 3.24 H new ATOM 0 HA ARG A 53 -34.942 1.435 17.635 1.00 71.25 H new ATOM 0 HB2 ARG A 53 -36.586 2.559 18.968 1.00 32.23 H new ATOM 0 HB3 ARG A 53 -35.111 3.499 19.065 1.00 32.23 H new ATOM 0 HG2 ARG A 53 -37.267 4.189 17.056 1.00 74.33 H new ATOM 0 HG3 ARG A 53 -37.364 4.743 18.716 1.00 74.33 H new ATOM 0 HD2 ARG A 53 -34.738 5.358 18.021 1.00 44.21 H new ATOM 0 HD3 ARG A 53 -35.608 5.653 16.529 1.00 44.21 H new ATOM 0 HE ARG A 53 -36.341 7.621 17.488 1.00 11.11 H new ATOM 0 HH11 ARG A 53 -35.967 5.167 19.999 1.00 53.45 H new ATOM 0 HH12 ARG A 53 -36.502 6.244 21.293 1.00 53.45 H new ATOM 0 HH21 ARG A 53 -37.030 8.998 19.156 1.00 64.24 H new ATOM 0 HH22 ARG A 53 -37.101 8.404 20.818 1.00 64.24 H new ATOM 893 N SER A 54 -37.407 1.319 16.612 1.00 44.20 N ATOM 894 CA SER A 54 -38.499 0.957 15.717 1.00 51.15 C ATOM 895 C SER A 54 -39.333 2.182 15.353 1.00 3.24 C ATOM 896 O SER A 54 -38.986 3.310 15.705 1.00 61.10 O ATOM 897 CB SER A 54 -39.388 -0.105 16.366 1.00 14.22 C ATOM 898 OG SER A 54 -39.698 0.239 17.705 1.00 13.44 O ATOM 0 H SER A 54 -37.492 0.940 17.555 1.00 44.20 H new ATOM 0 HA SER A 54 -38.067 0.549 14.803 1.00 51.15 H new ATOM 0 HB2 SER A 54 -40.309 -0.213 15.792 1.00 14.22 H new ATOM 0 HB3 SER A 54 -38.883 -1.071 16.343 1.00 14.22 H new ATOM 0 HG SER A 54 -39.011 0.844 18.055 1.00 13.44 H new ATOM 904 N VAL A 55 -40.435 1.952 14.647 1.00 62.02 N ATOM 905 CA VAL A 55 -41.320 3.035 14.236 1.00 2.40 C ATOM 906 C VAL A 55 -42.454 3.228 15.236 1.00 32.43 C ATOM 907 O VAL A 55 -42.973 4.332 15.397 1.00 10.33 O ATOM 908 CB VAL A 55 -41.919 2.773 12.841 1.00 22.35 C ATOM 909 CG1 VAL A 55 -40.817 2.668 11.798 1.00 0.30 C ATOM 910 CG2 VAL A 55 -42.771 1.513 12.857 1.00 60.32 C ATOM 0 H VAL A 55 -40.736 1.025 14.348 1.00 62.02 H new ATOM 0 HA VAL A 55 -40.715 3.941 14.199 1.00 2.40 H new ATOM 0 HB VAL A 55 -42.559 3.614 12.575 1.00 22.35 H new ATOM 0 HG11 VAL A 55 -41.259 2.483 10.819 1.00 0.30 H new ATOM 0 HG12 VAL A 55 -40.252 3.600 11.771 1.00 0.30 H new ATOM 0 HG13 VAL A 55 -40.149 1.846 12.056 1.00 0.30 H new ATOM 0 HG21 VAL A 55 -43.187 1.342 11.864 1.00 60.32 H new ATOM 0 HG22 VAL A 55 -42.155 0.661 13.144 1.00 60.32 H new ATOM 0 HG23 VAL A 55 -43.583 1.632 13.575 1.00 60.32 H new ATOM 920 N ASP A 56 -42.834 2.145 15.906 1.00 12.33 N ATOM 921 CA ASP A 56 -43.907 2.194 16.893 1.00 2.42 C ATOM 922 C ASP A 56 -43.368 1.928 18.295 1.00 21.22 C ATOM 923 O ASP A 56 -42.158 1.822 18.497 1.00 30.15 O ATOM 924 CB ASP A 56 -44.993 1.174 16.548 1.00 11.43 C ATOM 925 CG ASP A 56 -46.391 1.727 16.748 1.00 44.22 C ATOM 926 OD1 ASP A 56 -46.618 2.905 16.400 1.00 13.13 O ATOM 927 OD2 ASP A 56 -47.257 0.982 17.251 1.00 62.35 O ATOM 0 H ASP A 56 -42.415 1.223 15.784 1.00 12.33 H new ATOM 0 HA ASP A 56 -44.340 3.194 16.874 1.00 2.42 H new ATOM 0 HB2 ASP A 56 -44.875 0.859 15.511 1.00 11.43 H new ATOM 0 HB3 ASP A 56 -44.864 0.287 17.168 1.00 11.43 H new ATOM 932 N LYS A 57 -44.274 1.821 19.261 1.00 2.13 N ATOM 933 CA LYS A 57 -43.891 1.567 20.645 1.00 30.20 C ATOM 934 C LYS A 57 -44.459 0.237 21.131 1.00 14.42 C ATOM 935 O LYS A 57 -44.053 -0.277 22.173 1.00 74.24 O ATOM 936 CB LYS A 57 -44.378 2.702 21.548 1.00 55.54 C ATOM 937 CG LYS A 57 -44.086 4.087 20.995 1.00 74.32 C ATOM 938 CD LYS A 57 -42.593 4.358 20.932 1.00 43.24 C ATOM 939 CE LYS A 57 -42.175 5.413 21.944 1.00 4.50 C ATOM 940 NZ LYS A 57 -41.834 6.707 21.289 1.00 74.32 N ATOM 0 H LYS A 57 -45.279 1.906 19.111 1.00 2.13 H new ATOM 0 HA LYS A 57 -42.803 1.516 20.691 1.00 30.20 H new ATOM 0 HB2 LYS A 57 -45.453 2.599 21.699 1.00 55.54 H new ATOM 0 HB3 LYS A 57 -43.908 2.604 22.526 1.00 55.54 H new ATOM 0 HG2 LYS A 57 -44.516 4.180 19.998 1.00 74.32 H new ATOM 0 HG3 LYS A 57 -44.567 4.839 21.621 1.00 74.32 H new ATOM 0 HD2 LYS A 57 -42.046 3.434 21.121 1.00 43.24 H new ATOM 0 HD3 LYS A 57 -42.324 4.688 19.929 1.00 43.24 H new ATOM 0 HE2 LYS A 57 -42.982 5.570 22.659 1.00 4.50 H new ATOM 0 HE3 LYS A 57 -41.314 5.054 22.508 1.00 4.50 H new ATOM 0 HZ1 LYS A 57 -41.554 7.399 22.013 1.00 74.32 H new ATOM 0 HZ2 LYS A 57 -41.047 6.563 20.625 1.00 74.32 H new ATOM 0 HZ3 LYS A 57 -42.663 7.063 20.771 1.00 74.32 H new ATOM 954 N GLU A 58 -45.399 -0.313 20.369 1.00 33.43 N ATOM 955 CA GLU A 58 -46.022 -1.583 20.724 1.00 62.53 C ATOM 956 C GLU A 58 -45.846 -2.606 19.605 1.00 75.31 C ATOM 957 O GLU A 58 -45.874 -2.277 18.419 1.00 60.22 O ATOM 958 CB GLU A 58 -47.510 -1.383 21.018 1.00 60.03 C ATOM 959 CG GLU A 58 -48.281 -0.766 19.863 1.00 61.23 C ATOM 960 CD GLU A 58 -49.538 -0.051 20.317 1.00 53.53 C ATOM 961 OE1 GLU A 58 -49.432 0.850 21.175 1.00 31.23 O ATOM 962 OE2 GLU A 58 -50.629 -0.391 19.812 1.00 20.34 O ATOM 0 H GLU A 58 -45.746 0.100 19.503 1.00 33.43 H new ATOM 0 HA GLU A 58 -45.531 -1.962 21.620 1.00 62.53 H new ATOM 0 HB2 GLU A 58 -47.955 -2.346 21.268 1.00 60.03 H new ATOM 0 HB3 GLU A 58 -47.616 -0.746 21.896 1.00 60.03 H new ATOM 0 HG2 GLU A 58 -47.637 -0.062 19.336 1.00 61.23 H new ATOM 0 HG3 GLU A 58 -48.549 -1.547 19.151 1.00 61.23 H new ATOM 969 N PRO A 59 -45.661 -3.878 19.990 1.00 51.32 N ATOM 970 CA PRO A 59 -45.626 -4.281 21.399 1.00 61.14 C ATOM 971 C PRO A 59 -44.376 -3.779 22.114 1.00 35.33 C ATOM 972 O PRO A 59 -44.233 -3.947 23.326 1.00 51.35 O ATOM 973 CB PRO A 59 -45.625 -5.810 21.330 1.00 61.32 C ATOM 974 CG PRO A 59 -45.039 -6.129 19.998 1.00 74.15 C ATOM 975 CD PRO A 59 -45.471 -5.019 19.079 1.00 21.33 C ATOM 0 HA PRO A 59 -46.462 -3.867 21.963 1.00 61.14 H new ATOM 0 HB2 PRO A 59 -45.033 -6.242 22.137 1.00 61.32 H new ATOM 0 HB3 PRO A 59 -46.634 -6.211 21.425 1.00 61.32 H new ATOM 0 HG2 PRO A 59 -43.952 -6.189 20.054 1.00 74.15 H new ATOM 0 HG3 PRO A 59 -45.393 -7.095 19.637 1.00 74.15 H new ATOM 0 HD2 PRO A 59 -44.716 -4.807 18.322 1.00 21.33 H new ATOM 0 HD3 PRO A 59 -46.391 -5.269 18.551 1.00 21.33 H new ATOM 983 N VAL A 60 -43.474 -3.163 21.358 1.00 51.42 N ATOM 984 CA VAL A 60 -42.237 -2.635 21.920 1.00 1.34 C ATOM 985 C VAL A 60 -41.689 -1.494 21.070 1.00 72.10 C ATOM 986 O VAL A 60 -42.282 -1.121 20.058 1.00 33.54 O ATOM 987 CB VAL A 60 -41.163 -3.732 22.042 1.00 44.31 C ATOM 988 CG1 VAL A 60 -41.700 -4.922 22.822 1.00 53.22 C ATOM 989 CG2 VAL A 60 -40.681 -4.160 20.664 1.00 71.20 C ATOM 0 H VAL A 60 -43.577 -3.017 20.354 1.00 51.42 H new ATOM 0 HA VAL A 60 -42.477 -2.259 22.915 1.00 1.34 H new ATOM 0 HB VAL A 60 -40.313 -3.325 22.589 1.00 44.31 H new ATOM 0 HG11 VAL A 60 -40.927 -5.686 22.898 1.00 53.22 H new ATOM 0 HG12 VAL A 60 -41.991 -4.600 23.822 1.00 53.22 H new ATOM 0 HG13 VAL A 60 -42.568 -5.333 22.306 1.00 53.22 H new ATOM 0 HG21 VAL A 60 -39.922 -4.936 20.769 1.00 71.20 H new ATOM 0 HG22 VAL A 60 -41.521 -4.549 20.089 1.00 71.20 H new ATOM 0 HG23 VAL A 60 -40.253 -3.302 20.145 1.00 71.20 H new ATOM 999 N GLU A 61 -40.553 -0.944 21.488 1.00 71.43 N ATOM 1000 CA GLU A 61 -39.926 0.155 20.763 1.00 25.45 C ATOM 1001 C GLU A 61 -38.535 -0.240 20.275 1.00 4.31 C ATOM 1002 O GLU A 61 -37.935 0.451 19.451 1.00 13.44 O ATOM 1003 CB GLU A 61 -39.833 1.395 21.655 1.00 65.12 C ATOM 1004 CG GLU A 61 -38.506 1.522 22.384 1.00 45.31 C ATOM 1005 CD GLU A 61 -38.650 2.162 23.751 1.00 12.01 C ATOM 1006 OE1 GLU A 61 -39.534 1.728 24.519 1.00 1.32 O ATOM 1007 OE2 GLU A 61 -37.879 3.097 24.053 1.00 63.24 O ATOM 0 H GLU A 61 -40.049 -1.241 22.324 1.00 71.43 H new ATOM 0 HA GLU A 61 -40.545 0.386 19.896 1.00 25.45 H new ATOM 0 HB2 GLU A 61 -39.989 2.284 21.044 1.00 65.12 H new ATOM 0 HB3 GLU A 61 -40.639 1.366 22.388 1.00 65.12 H new ATOM 0 HG2 GLU A 61 -38.061 0.533 22.495 1.00 45.31 H new ATOM 0 HG3 GLU A 61 -37.819 2.115 21.780 1.00 45.31 H new ATOM 1014 N SER A 62 -38.027 -1.355 20.790 1.00 72.11 N ATOM 1015 CA SER A 62 -36.705 -1.840 20.410 1.00 14.14 C ATOM 1016 C SER A 62 -35.748 -0.676 20.170 1.00 74.31 C ATOM 1017 O SER A 62 -35.647 -0.162 19.056 1.00 4.23 O ATOM 1018 CB SER A 62 -36.798 -2.707 19.153 1.00 14.31 C ATOM 1019 OG SER A 62 -35.618 -3.469 18.971 1.00 42.14 O ATOM 0 H SER A 62 -38.511 -1.940 21.472 1.00 72.11 H new ATOM 0 HA SER A 62 -36.317 -2.444 21.230 1.00 14.14 H new ATOM 0 HB2 SER A 62 -37.657 -3.374 19.230 1.00 14.31 H new ATOM 0 HB3 SER A 62 -36.963 -2.073 18.282 1.00 14.31 H new ATOM 0 HG SER A 62 -35.761 -4.129 18.261 1.00 42.14 H new ATOM 1025 N SER A 63 -35.049 -0.267 21.223 1.00 5.31 N ATOM 1026 CA SER A 63 -34.102 0.839 21.129 1.00 71.40 C ATOM 1027 C SER A 63 -32.665 0.325 21.127 1.00 75.01 C ATOM 1028 O SER A 63 -32.243 -0.372 22.050 1.00 61.11 O ATOM 1029 CB SER A 63 -34.306 1.813 22.291 1.00 22.30 C ATOM 1030 OG SER A 63 -33.171 2.643 22.465 1.00 23.04 O ATOM 0 H SER A 63 -35.120 -0.684 22.151 1.00 5.31 H new ATOM 0 HA SER A 63 -34.284 1.362 20.190 1.00 71.40 H new ATOM 0 HB2 SER A 63 -35.186 2.429 22.103 1.00 22.30 H new ATOM 0 HB3 SER A 63 -34.497 1.255 23.208 1.00 22.30 H new ATOM 0 HG SER A 63 -33.327 3.257 23.212 1.00 23.04 H new ATOM 1036 N ILE A 64 -31.920 0.675 20.084 1.00 74.52 N ATOM 1037 CA ILE A 64 -30.531 0.250 19.961 1.00 13.34 C ATOM 1038 C ILE A 64 -29.644 1.401 19.501 1.00 45.44 C ATOM 1039 O ILE A 64 -29.967 2.106 18.544 1.00 70.34 O ATOM 1040 CB ILE A 64 -30.386 -0.923 18.974 1.00 43.51 C ATOM 1041 CG1 ILE A 64 -31.406 -2.017 19.294 1.00 23.13 C ATOM 1042 CG2 ILE A 64 -28.971 -1.480 19.018 1.00 2.14 C ATOM 1043 CD1 ILE A 64 -31.288 -3.233 18.402 1.00 4.11 C ATOM 0 H ILE A 64 -32.255 1.252 19.312 1.00 74.52 H new ATOM 0 HA ILE A 64 -30.212 -0.078 20.950 1.00 13.34 H new ATOM 0 HB ILE A 64 -30.580 -0.557 17.966 1.00 43.51 H new ATOM 0 HG12 ILE A 64 -31.283 -2.325 20.332 1.00 23.13 H new ATOM 0 HG13 ILE A 64 -32.411 -1.604 19.201 1.00 23.13 H new ATOM 0 HG21 ILE A 64 -28.884 -2.308 18.315 1.00 2.14 H new ATOM 0 HG22 ILE A 64 -28.263 -0.697 18.746 1.00 2.14 H new ATOM 0 HG23 ILE A 64 -28.750 -1.834 20.025 1.00 2.14 H new ATOM 0 HD11 ILE A 64 -32.042 -3.967 18.686 1.00 4.11 H new ATOM 0 HD12 ILE A 64 -31.441 -2.939 17.364 1.00 4.11 H new ATOM 0 HD13 ILE A 64 -30.296 -3.671 18.513 1.00 4.11 H new ATOM 1055 N THR A 65 -28.520 1.587 20.187 1.00 32.22 N ATOM 1056 CA THR A 65 -27.584 2.652 19.849 1.00 75.44 C ATOM 1057 C THR A 65 -26.465 2.135 18.953 1.00 45.12 C ATOM 1058 O THR A 65 -25.647 1.315 19.373 1.00 35.23 O ATOM 1059 CB THR A 65 -26.967 3.280 21.112 1.00 33.13 C ATOM 1060 OG1 THR A 65 -28.000 3.811 21.950 1.00 51.43 O ATOM 1061 CG2 THR A 65 -25.987 4.384 20.744 1.00 34.25 C ATOM 0 H THR A 65 -28.236 1.013 20.981 1.00 32.22 H new ATOM 0 HA THR A 65 -28.151 3.414 19.315 1.00 75.44 H new ATOM 0 HB THR A 65 -26.427 2.502 21.651 1.00 33.13 H new ATOM 0 HG1 THR A 65 -27.599 4.207 22.752 1.00 51.43 H new ATOM 0 HG21 THR A 65 -25.564 4.813 21.652 1.00 34.25 H new ATOM 0 HG22 THR A 65 -25.186 3.970 20.131 1.00 34.25 H new ATOM 0 HG23 THR A 65 -26.508 5.161 20.184 1.00 34.25 H new ATOM 1069 N LEU A 66 -26.431 2.620 17.717 1.00 40.05 N ATOM 1070 CA LEU A 66 -25.409 2.208 16.760 1.00 34.43 C ATOM 1071 C LEU A 66 -24.235 3.182 16.764 1.00 75.44 C ATOM 1072 O LEU A 66 -24.371 4.335 16.354 1.00 10.01 O ATOM 1073 CB LEU A 66 -26.006 2.115 15.355 1.00 60.12 C ATOM 1074 CG LEU A 66 -26.605 0.762 14.968 1.00 44.24 C ATOM 1075 CD1 LEU A 66 -27.112 0.794 13.534 1.00 24.52 C ATOM 1076 CD2 LEU A 66 -25.578 -0.347 15.148 1.00 12.42 C ATOM 0 H LEU A 66 -27.099 3.299 17.353 1.00 40.05 H new ATOM 0 HA LEU A 66 -25.042 1.226 17.057 1.00 34.43 H new ATOM 0 HB2 LEU A 66 -26.783 2.874 15.261 1.00 60.12 H new ATOM 0 HB3 LEU A 66 -25.228 2.365 14.634 1.00 60.12 H new ATOM 0 HG LEU A 66 -27.450 0.558 15.626 1.00 44.24 H new ATOM 0 HD11 LEU A 66 -27.535 -0.177 13.276 1.00 24.52 H new ATOM 0 HD12 LEU A 66 -27.880 1.562 13.437 1.00 24.52 H new ATOM 0 HD13 LEU A 66 -26.285 1.020 12.861 1.00 24.52 H new ATOM 0 HD21 LEU A 66 -26.021 -1.303 14.868 1.00 12.42 H new ATOM 0 HD22 LEU A 66 -24.713 -0.149 14.514 1.00 12.42 H new ATOM 0 HD23 LEU A 66 -25.263 -0.385 16.191 1.00 12.42 H new ATOM 1088 N HIS A 67 -23.082 2.709 17.226 1.00 14.14 N ATOM 1089 CA HIS A 67 -21.883 3.538 17.280 1.00 32.42 C ATOM 1090 C HIS A 67 -20.868 3.092 16.232 1.00 4.14 C ATOM 1091 O HIS A 67 -20.298 2.005 16.328 1.00 22.12 O ATOM 1092 CB HIS A 67 -21.257 3.475 18.673 1.00 4.25 C ATOM 1093 CG HIS A 67 -19.801 3.829 18.692 1.00 15.33 C ATOM 1094 ND1 HIS A 67 -19.293 4.955 18.080 1.00 41.14 N ATOM 1095 CD2 HIS A 67 -18.744 3.200 19.256 1.00 33.42 C ATOM 1096 CE1 HIS A 67 -17.986 5.002 18.264 1.00 23.33 C ATOM 1097 NE2 HIS A 67 -17.628 3.948 18.976 1.00 44.02 N ATOM 0 H HIS A 67 -22.953 1.757 17.568 1.00 14.14 H new ATOM 0 HA HIS A 67 -22.172 4.567 17.066 1.00 32.42 H new ATOM 0 HB2 HIS A 67 -21.796 4.152 19.336 1.00 4.25 H new ATOM 0 HB3 HIS A 67 -21.383 2.469 19.074 1.00 4.25 H new ATOM 0 HD1 HIS A 67 -19.841 5.644 17.565 1.00 41.14 H new ATOM 0 HD2 HIS A 67 -18.773 2.280 19.821 1.00 33.42 H new ATOM 0 HE1 HIS A 67 -17.323 5.771 17.895 1.00 23.33 H new ATOM 1105 N PHE A 68 -20.647 3.939 15.232 1.00 24.41 N ATOM 1106 CA PHE A 68 -19.701 3.631 14.165 1.00 11.33 C ATOM 1107 C PHE A 68 -18.394 4.394 14.360 1.00 11.33 C ATOM 1108 O PHE A 68 -18.391 5.529 14.836 1.00 43.33 O ATOM 1109 CB PHE A 68 -20.307 3.975 12.803 1.00 12.41 C ATOM 1110 CG PHE A 68 -21.727 4.457 12.883 1.00 14.54 C ATOM 1111 CD1 PHE A 68 -22.007 5.799 13.086 1.00 51.35 C ATOM 1112 CD2 PHE A 68 -22.783 3.569 12.757 1.00 22.53 C ATOM 1113 CE1 PHE A 68 -23.313 6.246 13.160 1.00 40.44 C ATOM 1114 CE2 PHE A 68 -24.091 4.010 12.830 1.00 25.21 C ATOM 1115 CZ PHE A 68 -24.356 5.350 13.033 1.00 40.03 C ATOM 0 H PHE A 68 -21.110 4.843 15.138 1.00 24.41 H new ATOM 0 HA PHE A 68 -19.486 2.563 14.200 1.00 11.33 H new ATOM 0 HB2 PHE A 68 -19.697 4.743 12.327 1.00 12.41 H new ATOM 0 HB3 PHE A 68 -20.267 3.093 12.163 1.00 12.41 H new ATOM 0 HD1 PHE A 68 -21.195 6.504 13.188 1.00 51.35 H new ATOM 0 HD2 PHE A 68 -22.582 2.520 12.600 1.00 22.53 H new ATOM 0 HE1 PHE A 68 -23.517 7.295 13.317 1.00 40.44 H new ATOM 0 HE2 PHE A 68 -24.905 3.307 12.728 1.00 25.21 H new ATOM 0 HZ PHE A 68 -25.377 5.697 13.092 1.00 40.03 H new ATOM 1125 N ALA A 69 -17.286 3.761 13.990 1.00 3.50 N ATOM 1126 CA ALA A 69 -15.972 4.380 14.122 1.00 35.04 C ATOM 1127 C ALA A 69 -15.260 4.450 12.776 1.00 54.32 C ATOM 1128 O ALA A 69 -14.859 3.428 12.221 1.00 35.42 O ATOM 1129 CB ALA A 69 -15.127 3.614 15.129 1.00 33.32 C ATOM 0 H ALA A 69 -17.271 2.820 13.596 1.00 3.50 H new ATOM 0 HA ALA A 69 -16.112 5.399 14.482 1.00 35.04 H new ATOM 0 HB1 ALA A 69 -14.149 4.087 15.218 1.00 33.32 H new ATOM 0 HB2 ALA A 69 -15.623 3.621 16.100 1.00 33.32 H new ATOM 0 HB3 ALA A 69 -15.003 2.585 14.792 1.00 33.32 H new ATOM 1135 N MET A 70 -15.107 5.663 12.255 1.00 15.52 N ATOM 1136 CA MET A 70 -14.443 5.866 10.973 1.00 1.20 C ATOM 1137 C MET A 70 -12.931 5.728 11.117 1.00 63.24 C ATOM 1138 O MET A 70 -12.222 6.715 11.314 1.00 0.43 O ATOM 1139 CB MET A 70 -14.789 7.245 10.407 1.00 32.22 C ATOM 1140 CG MET A 70 -16.271 7.578 10.482 1.00 65.32 C ATOM 1141 SD MET A 70 -17.147 7.193 8.954 1.00 63.14 S ATOM 1142 CE MET A 70 -18.684 8.075 9.213 1.00 22.14 C ATOM 0 H MET A 70 -15.434 6.520 12.701 1.00 15.52 H new ATOM 0 HA MET A 70 -14.797 5.099 10.284 1.00 1.20 H new ATOM 0 HB2 MET A 70 -14.226 8.004 10.951 1.00 32.22 H new ATOM 0 HB3 MET A 70 -14.466 7.293 9.367 1.00 32.22 H new ATOM 0 HG2 MET A 70 -16.723 7.024 11.305 1.00 65.32 H new ATOM 0 HG3 MET A 70 -16.390 8.638 10.708 1.00 65.32 H new ATOM 0 HE1 MET A 70 -19.306 7.992 8.322 1.00 22.14 H new ATOM 0 HE2 MET A 70 -19.211 7.645 10.064 1.00 22.14 H new ATOM 0 HE3 MET A 70 -18.472 9.126 9.411 1.00 22.14 H new ATOM 1152 N THR A 71 -12.441 4.496 11.016 1.00 33.32 N ATOM 1153 CA THR A 71 -11.014 4.228 11.136 1.00 3.34 C ATOM 1154 C THR A 71 -10.192 5.297 10.425 1.00 12.41 C ATOM 1155 O THR A 71 -10.667 5.976 9.514 1.00 34.21 O ATOM 1156 CB THR A 71 -10.650 2.848 10.558 1.00 70.14 C ATOM 1157 OG1 THR A 71 -11.552 2.508 9.499 1.00 61.34 O ATOM 1158 CG2 THR A 71 -10.701 1.778 11.637 1.00 32.35 C ATOM 0 H THR A 71 -13.013 3.668 10.851 1.00 33.32 H new ATOM 0 HA THR A 71 -10.779 4.241 12.200 1.00 3.34 H new ATOM 0 HB THR A 71 -9.634 2.899 10.168 1.00 70.14 H new ATOM 0 HG1 THR A 71 -11.107 1.899 8.873 1.00 61.34 H new ATOM 0 HG21 THR A 71 -10.440 0.812 11.204 1.00 32.35 H new ATOM 0 HG22 THR A 71 -9.992 2.025 12.428 1.00 32.35 H new ATOM 0 HG23 THR A 71 -11.707 1.729 12.054 1.00 32.35 H new ATOM 1166 N PRO A 72 -8.929 5.453 10.848 1.00 21.10 N ATOM 1167 CA PRO A 72 -8.014 6.438 10.263 1.00 30.14 C ATOM 1168 C PRO A 72 -7.597 6.071 8.843 1.00 20.45 C ATOM 1169 O PRO A 72 -6.809 6.777 8.216 1.00 41.22 O ATOM 1170 CB PRO A 72 -6.806 6.401 11.202 1.00 25.52 C ATOM 1171 CG PRO A 72 -6.842 5.042 11.812 1.00 24.21 C ATOM 1172 CD PRO A 72 -8.296 4.679 11.929 1.00 31.11 C ATOM 0 HA PRO A 72 -8.475 7.422 10.178 1.00 30.14 H new ATOM 0 HB2 PRO A 72 -5.876 6.566 10.658 1.00 25.52 H new ATOM 0 HB3 PRO A 72 -6.872 7.178 11.963 1.00 25.52 H new ATOM 0 HG2 PRO A 72 -6.309 4.322 11.192 1.00 24.21 H new ATOM 0 HG3 PRO A 72 -6.359 5.040 12.789 1.00 24.21 H new ATOM 0 HD2 PRO A 72 -8.454 3.608 11.802 1.00 31.11 H new ATOM 0 HD3 PRO A 72 -8.700 4.948 12.905 1.00 31.11 H new ATOM 1180 N MET A 73 -8.131 4.961 8.343 1.00 53.40 N ATOM 1181 CA MET A 73 -7.815 4.502 6.996 1.00 70.14 C ATOM 1182 C MET A 73 -9.067 4.467 6.125 1.00 33.22 C ATOM 1183 O MET A 73 -8.988 4.580 4.902 1.00 41.42 O ATOM 1184 CB MET A 73 -7.175 3.113 7.044 1.00 3.34 C ATOM 1185 CG MET A 73 -5.706 3.135 7.437 1.00 73.31 C ATOM 1186 SD MET A 73 -4.622 2.604 6.098 1.00 63.40 S ATOM 1187 CE MET A 73 -4.740 4.006 4.990 1.00 71.21 C ATOM 0 H MET A 73 -8.784 4.364 8.850 1.00 53.40 H new ATOM 0 HA MET A 73 -7.108 5.205 6.557 1.00 70.14 H new ATOM 0 HB2 MET A 73 -7.723 2.493 7.753 1.00 3.34 H new ATOM 0 HB3 MET A 73 -7.274 2.642 6.066 1.00 3.34 H new ATOM 0 HG2 MET A 73 -5.431 4.144 7.744 1.00 73.31 H new ATOM 0 HG3 MET A 73 -5.555 2.487 8.300 1.00 73.31 H new ATOM 0 HE1 MET A 73 -4.963 3.656 3.982 1.00 71.21 H new ATOM 0 HE2 MET A 73 -5.535 4.671 5.328 1.00 71.21 H new ATOM 0 HE3 MET A 73 -3.793 4.546 4.985 1.00 71.21 H new ATOM 1197 N TYR A 74 -10.221 4.309 6.763 1.00 35.44 N ATOM 1198 CA TYR A 74 -11.490 4.256 6.047 1.00 71.13 C ATOM 1199 C TYR A 74 -11.597 5.400 5.043 1.00 10.23 C ATOM 1200 O TYR A 74 -11.032 6.478 5.229 1.00 0.14 O ATOM 1201 CB TYR A 74 -12.659 4.315 7.031 1.00 11.34 C ATOM 1202 CG TYR A 74 -13.890 4.992 6.470 1.00 24.44 C ATOM 1203 CD1 TYR A 74 -13.870 6.338 6.126 1.00 72.41 C ATOM 1204 CD2 TYR A 74 -15.072 4.285 6.286 1.00 44.21 C ATOM 1205 CE1 TYR A 74 -14.992 6.960 5.614 1.00 72.04 C ATOM 1206 CE2 TYR A 74 -16.198 4.899 5.773 1.00 62.01 C ATOM 1207 CZ TYR A 74 -16.153 6.236 5.439 1.00 53.44 C ATOM 1208 OH TYR A 74 -17.273 6.852 4.929 1.00 75.24 O ATOM 0 H TYR A 74 -10.304 4.215 7.775 1.00 35.44 H new ATOM 0 HA TYR A 74 -11.531 3.313 5.502 1.00 71.13 H new ATOM 0 HB2 TYR A 74 -12.919 3.301 7.334 1.00 11.34 H new ATOM 0 HB3 TYR A 74 -12.341 4.845 7.929 1.00 11.34 H new ATOM 0 HD1 TYR A 74 -12.962 6.907 6.261 1.00 72.41 H new ATOM 0 HD2 TYR A 74 -15.111 3.238 6.548 1.00 44.21 H new ATOM 0 HE1 TYR A 74 -14.960 8.007 5.352 1.00 72.04 H new ATOM 0 HE2 TYR A 74 -17.109 4.335 5.634 1.00 62.01 H new ATOM 0 HH TYR A 74 -17.886 7.073 5.661 1.00 75.24 H new ATOM 1218 N PRO A 75 -12.340 5.162 3.953 1.00 75.23 N ATOM 1219 CA PRO A 75 -13.017 3.882 3.720 1.00 13.42 C ATOM 1220 C PRO A 75 -12.037 2.754 3.418 1.00 3.34 C ATOM 1221 O PRO A 75 -12.411 1.582 3.400 1.00 73.44 O ATOM 1222 CB PRO A 75 -13.900 4.164 2.502 1.00 44.25 C ATOM 1223 CG PRO A 75 -13.219 5.284 1.792 1.00 34.22 C ATOM 1224 CD PRO A 75 -12.577 6.123 2.862 1.00 32.42 C ATOM 0 HA PRO A 75 -13.571 3.549 4.597 1.00 13.42 H new ATOM 0 HB2 PRO A 75 -13.986 3.285 1.864 1.00 44.25 H new ATOM 0 HB3 PRO A 75 -14.911 4.441 2.801 1.00 44.25 H new ATOM 0 HG2 PRO A 75 -12.473 4.906 1.092 1.00 34.22 H new ATOM 0 HG3 PRO A 75 -13.932 5.870 1.212 1.00 34.22 H new ATOM 0 HD2 PRO A 75 -11.647 6.574 2.515 1.00 32.42 H new ATOM 0 HD3 PRO A 75 -13.228 6.938 3.179 1.00 32.42 H new ATOM 1232 N TYR A 76 -10.780 3.116 3.183 1.00 34.04 N ATOM 1233 CA TYR A 76 -9.746 2.134 2.881 1.00 72.25 C ATOM 1234 C TYR A 76 -10.007 0.823 3.617 1.00 1.42 C ATOM 1235 O TYR A 76 -10.062 -0.246 3.008 1.00 1.42 O ATOM 1236 CB TYR A 76 -8.368 2.679 3.260 1.00 54.54 C ATOM 1237 CG TYR A 76 -7.224 1.957 2.585 1.00 34.31 C ATOM 1238 CD1 TYR A 76 -7.067 2.000 1.205 1.00 5.32 C ATOM 1239 CD2 TYR A 76 -6.302 1.229 3.327 1.00 10.41 C ATOM 1240 CE1 TYR A 76 -6.023 1.341 0.584 1.00 12.04 C ATOM 1241 CE2 TYR A 76 -5.255 0.568 2.715 1.00 1.30 C ATOM 1242 CZ TYR A 76 -5.120 0.627 1.344 1.00 61.14 C ATOM 1243 OH TYR A 76 -4.079 -0.032 0.730 1.00 40.41 O ATOM 0 H TYR A 76 -10.453 4.082 3.196 1.00 34.04 H new ATOM 0 HA TYR A 76 -9.769 1.939 1.809 1.00 72.25 H new ATOM 0 HB2 TYR A 76 -8.322 3.737 3.002 1.00 54.54 H new ATOM 0 HB3 TYR A 76 -8.244 2.609 4.341 1.00 54.54 H new ATOM 0 HD1 TYR A 76 -7.773 2.558 0.608 1.00 5.32 H new ATOM 0 HD2 TYR A 76 -6.406 1.179 4.401 1.00 10.41 H new ATOM 0 HE1 TYR A 76 -5.915 1.385 -0.490 1.00 12.04 H new ATOM 0 HE2 TYR A 76 -4.546 0.008 3.307 1.00 1.30 H new ATOM 0 HH TYR A 76 -3.534 -0.485 1.407 1.00 40.41 H new ATOM 1253 N THR A 77 -10.168 0.914 4.934 1.00 43.02 N ATOM 1254 CA THR A 77 -10.422 -0.262 5.755 1.00 32.45 C ATOM 1255 C THR A 77 -11.871 -0.300 6.229 1.00 43.42 C ATOM 1256 O THR A 77 -12.618 0.661 6.047 1.00 2.31 O ATOM 1257 CB THR A 77 -9.492 -0.303 6.983 1.00 41.45 C ATOM 1258 OG1 THR A 77 -9.863 0.721 7.912 1.00 1.33 O ATOM 1259 CG2 THR A 77 -8.040 -0.116 6.567 1.00 33.04 C ATOM 0 H THR A 77 -10.127 1.791 5.454 1.00 43.02 H new ATOM 0 HA THR A 77 -10.224 -1.132 5.129 1.00 32.45 H new ATOM 0 HB THR A 77 -9.595 -1.279 7.458 1.00 41.45 H new ATOM 0 HG1 THR A 77 -9.269 0.687 8.690 1.00 1.33 H new ATOM 0 HG21 THR A 77 -7.402 -0.148 7.450 1.00 33.04 H new ATOM 0 HG22 THR A 77 -7.752 -0.913 5.882 1.00 33.04 H new ATOM 0 HG23 THR A 77 -7.925 0.848 6.071 1.00 33.04 H new ATOM 1267 N ALA A 78 -12.261 -1.415 6.837 1.00 12.22 N ATOM 1268 CA ALA A 78 -13.620 -1.576 7.339 1.00 11.52 C ATOM 1269 C ALA A 78 -13.763 -0.983 8.737 1.00 43.21 C ATOM 1270 O ALA A 78 -12.969 -1.256 9.637 1.00 21.24 O ATOM 1271 CB ALA A 78 -14.010 -3.046 7.345 1.00 30.22 C ATOM 0 H ALA A 78 -11.655 -2.220 6.994 1.00 12.22 H new ATOM 0 HA ALA A 78 -14.293 -1.036 6.673 1.00 11.52 H new ATOM 0 HB1 ALA A 78 -15.027 -3.151 7.722 1.00 30.22 H new ATOM 0 HB2 ALA A 78 -13.957 -3.441 6.330 1.00 30.22 H new ATOM 0 HB3 ALA A 78 -13.326 -3.601 7.987 1.00 30.22 H new ATOM 1277 N PRO A 79 -14.798 -0.151 8.925 1.00 43.52 N ATOM 1278 CA PRO A 79 -15.068 0.498 10.211 1.00 12.41 C ATOM 1279 C PRO A 79 -15.544 -0.490 11.270 1.00 12.13 C ATOM 1280 O PRO A 79 -15.769 -1.664 10.979 1.00 32.13 O ATOM 1281 CB PRO A 79 -16.177 1.499 9.877 1.00 10.42 C ATOM 1282 CG PRO A 79 -16.855 0.929 8.679 1.00 25.44 C ATOM 1283 CD PRO A 79 -15.784 0.221 7.896 1.00 21.42 C ATOM 0 HA PRO A 79 -14.173 0.957 10.632 1.00 12.41 H new ATOM 0 HB2 PRO A 79 -16.872 1.612 10.709 1.00 10.42 H new ATOM 0 HB3 PRO A 79 -15.768 2.487 9.667 1.00 10.42 H new ATOM 0 HG2 PRO A 79 -17.647 0.239 8.970 1.00 25.44 H new ATOM 0 HG3 PRO A 79 -17.320 1.714 8.083 1.00 25.44 H new ATOM 0 HD2 PRO A 79 -16.176 -0.655 7.380 1.00 21.42 H new ATOM 0 HD3 PRO A 79 -15.347 0.869 7.136 1.00 21.42 H new ATOM 1291 N GLU A 80 -15.696 -0.006 12.499 1.00 24.23 N ATOM 1292 CA GLU A 80 -16.145 -0.849 13.601 1.00 2.12 C ATOM 1293 C GLU A 80 -17.440 -0.312 14.203 1.00 33.53 C ATOM 1294 O GLU A 80 -17.596 0.894 14.393 1.00 2.20 O ATOM 1295 CB GLU A 80 -15.064 -0.933 14.681 1.00 32.23 C ATOM 1296 CG GLU A 80 -15.559 -1.518 15.993 1.00 34.33 C ATOM 1297 CD GLU A 80 -14.620 -2.567 16.556 1.00 62.23 C ATOM 1298 OE1 GLU A 80 -14.557 -3.675 15.982 1.00 2.03 O ATOM 1299 OE2 GLU A 80 -13.948 -2.281 17.569 1.00 51.13 O ATOM 0 H GLU A 80 -15.515 0.964 12.756 1.00 24.23 H new ATOM 0 HA GLU A 80 -16.334 -1.848 13.208 1.00 2.12 H new ATOM 0 HB2 GLU A 80 -14.238 -1.541 14.310 1.00 32.23 H new ATOM 0 HB3 GLU A 80 -14.667 0.066 14.865 1.00 32.23 H new ATOM 0 HG2 GLU A 80 -15.680 -0.716 16.721 1.00 34.33 H new ATOM 0 HG3 GLU A 80 -16.543 -1.961 15.840 1.00 34.33 H new ATOM 1306 N ILE A 81 -18.367 -1.217 14.500 1.00 23.45 N ATOM 1307 CA ILE A 81 -19.648 -0.836 15.081 1.00 11.10 C ATOM 1308 C ILE A 81 -20.124 -1.873 16.092 1.00 31.24 C ATOM 1309 O ILE A 81 -19.819 -3.059 15.969 1.00 15.03 O ATOM 1310 CB ILE A 81 -20.727 -0.660 13.997 1.00 54.24 C ATOM 1311 CG1 ILE A 81 -20.493 0.637 13.219 1.00 62.35 C ATOM 1312 CG2 ILE A 81 -22.114 -0.664 14.623 1.00 23.33 C ATOM 1313 CD1 ILE A 81 -20.945 0.566 11.777 1.00 42.33 C ATOM 0 H ILE A 81 -18.254 -2.219 14.348 1.00 23.45 H new ATOM 0 HA ILE A 81 -19.494 0.117 15.587 1.00 11.10 H new ATOM 0 HB ILE A 81 -20.661 -1.497 13.302 1.00 54.24 H new ATOM 0 HG12 ILE A 81 -21.021 1.450 13.717 1.00 62.35 H new ATOM 0 HG13 ILE A 81 -19.431 0.882 13.247 1.00 62.35 H new ATOM 0 HG21 ILE A 81 -22.865 -0.539 13.843 1.00 23.33 H new ATOM 0 HG22 ILE A 81 -22.279 -1.611 15.137 1.00 23.33 H new ATOM 0 HG23 ILE A 81 -22.193 0.155 15.338 1.00 23.33 H new ATOM 0 HD11 ILE A 81 -20.749 1.520 11.287 1.00 42.33 H new ATOM 0 HD12 ILE A 81 -20.399 -0.225 11.263 1.00 42.33 H new ATOM 0 HD13 ILE A 81 -22.013 0.352 11.741 1.00 42.33 H new ATOM 1325 N GLU A 82 -20.874 -1.418 17.091 1.00 54.43 N ATOM 1326 CA GLU A 82 -21.393 -2.307 18.123 1.00 75.21 C ATOM 1327 C GLU A 82 -22.733 -1.803 18.653 1.00 43.13 C ATOM 1328 O GLU A 82 -22.975 -0.597 18.712 1.00 75.43 O ATOM 1329 CB GLU A 82 -20.391 -2.430 19.273 1.00 74.24 C ATOM 1330 CG GLU A 82 -20.489 -1.304 20.288 1.00 21.11 C ATOM 1331 CD GLU A 82 -19.354 -1.325 21.293 1.00 4.21 C ATOM 1332 OE1 GLU A 82 -19.051 -2.413 21.825 1.00 34.23 O ATOM 1333 OE2 GLU A 82 -18.767 -0.252 21.547 1.00 52.32 O ATOM 0 H GLU A 82 -21.135 -0.439 17.207 1.00 54.43 H new ATOM 0 HA GLU A 82 -21.545 -3.290 17.676 1.00 75.21 H new ATOM 0 HB2 GLU A 82 -20.549 -3.381 19.781 1.00 74.24 H new ATOM 0 HB3 GLU A 82 -19.381 -2.452 18.863 1.00 74.24 H new ATOM 0 HG2 GLU A 82 -20.489 -0.348 19.765 1.00 21.11 H new ATOM 0 HG3 GLU A 82 -21.439 -1.378 20.817 1.00 21.11 H new ATOM 1340 N PHE A 83 -23.599 -2.735 19.037 1.00 51.44 N ATOM 1341 CA PHE A 83 -24.915 -2.386 19.560 1.00 3.11 C ATOM 1342 C PHE A 83 -24.871 -2.223 21.077 1.00 70.43 C ATOM 1343 O PHE A 83 -24.194 -2.978 21.775 1.00 63.44 O ATOM 1344 CB PHE A 83 -25.939 -3.457 19.180 1.00 23.40 C ATOM 1345 CG PHE A 83 -25.824 -3.917 17.755 1.00 54.04 C ATOM 1346 CD1 PHE A 83 -26.392 -3.180 16.728 1.00 70.23 C ATOM 1347 CD2 PHE A 83 -25.150 -5.086 17.442 1.00 61.22 C ATOM 1348 CE1 PHE A 83 -26.288 -3.600 15.415 1.00 74.02 C ATOM 1349 CE2 PHE A 83 -25.043 -5.511 16.131 1.00 43.30 C ATOM 1350 CZ PHE A 83 -25.614 -4.767 15.116 1.00 23.54 C ATOM 0 H PHE A 83 -23.413 -3.737 18.996 1.00 51.44 H new ATOM 0 HA PHE A 83 -25.214 -1.435 19.118 1.00 3.11 H new ATOM 0 HB2 PHE A 83 -25.818 -4.315 19.841 1.00 23.40 H new ATOM 0 HB3 PHE A 83 -26.942 -3.065 19.347 1.00 23.40 H new ATOM 0 HD1 PHE A 83 -26.922 -2.267 16.956 1.00 70.23 H new ATOM 0 HD2 PHE A 83 -24.703 -5.672 18.231 1.00 61.22 H new ATOM 0 HE1 PHE A 83 -26.734 -3.016 14.624 1.00 74.02 H new ATOM 0 HE2 PHE A 83 -24.514 -6.424 15.900 1.00 43.30 H new ATOM 0 HZ PHE A 83 -25.533 -5.098 14.091 1.00 23.54 H new ATOM 1360 N LYS A 84 -25.598 -1.232 21.581 1.00 71.04 N ATOM 1361 CA LYS A 84 -25.645 -0.969 23.014 1.00 43.51 C ATOM 1362 C LYS A 84 -27.083 -0.977 23.522 1.00 22.03 C ATOM 1363 O LYS A 84 -28.027 -1.084 22.741 1.00 45.05 O ATOM 1364 CB LYS A 84 -24.990 0.379 23.327 1.00 23.42 C ATOM 1365 CG LYS A 84 -23.883 0.757 22.358 1.00 55.23 C ATOM 1366 CD LYS A 84 -22.715 -0.211 22.439 1.00 0.44 C ATOM 1367 CE LYS A 84 -22.304 -0.468 23.881 1.00 11.11 C ATOM 1368 NZ LYS A 84 -21.021 -1.219 23.967 1.00 71.04 N ATOM 0 H LYS A 84 -26.163 -0.597 21.017 1.00 71.04 H new ATOM 0 HA LYS A 84 -25.095 -1.761 23.522 1.00 43.51 H new ATOM 0 HB2 LYS A 84 -25.754 1.156 23.314 1.00 23.42 H new ATOM 0 HB3 LYS A 84 -24.582 0.350 24.338 1.00 23.42 H new ATOM 0 HG2 LYS A 84 -24.277 0.769 21.342 1.00 55.23 H new ATOM 0 HG3 LYS A 84 -23.536 1.767 22.577 1.00 55.23 H new ATOM 0 HD2 LYS A 84 -22.988 -1.153 21.964 1.00 0.44 H new ATOM 0 HD3 LYS A 84 -21.868 0.192 21.884 1.00 0.44 H new ATOM 0 HE2 LYS A 84 -22.204 0.483 24.405 1.00 11.11 H new ATOM 0 HE3 LYS A 84 -23.089 -1.030 24.387 1.00 11.11 H new ATOM 0 HZ1 LYS A 84 -20.894 -1.579 24.934 1.00 71.04 H new ATOM 0 HZ2 LYS A 84 -21.040 -2.017 23.300 1.00 71.04 H new ATOM 0 HZ3 LYS A 84 -20.231 -0.586 23.727 1.00 71.04 H new ATOM 1382 N ASN A 85 -27.242 -0.862 24.837 1.00 64.21 N ATOM 1383 CA ASN A 85 -28.565 -0.856 25.449 1.00 13.31 C ATOM 1384 C ASN A 85 -29.317 -2.145 25.133 1.00 31.11 C ATOM 1385 O ASN A 85 -29.443 -3.027 25.983 1.00 73.14 O ATOM 1386 CB ASN A 85 -29.370 0.350 24.960 1.00 13.13 C ATOM 1387 CG ASN A 85 -28.846 1.660 25.517 1.00 20.54 C ATOM 1388 OD1 ASN A 85 -29.552 2.370 26.233 1.00 34.41 O ATOM 1389 ND2 ASN A 85 -27.601 1.985 25.190 1.00 1.21 N ATOM 0 H ASN A 85 -26.471 -0.772 25.499 1.00 64.21 H new ATOM 0 HA ASN A 85 -28.438 -0.786 26.529 1.00 13.31 H new ATOM 0 HB2 ASN A 85 -29.342 0.384 23.871 1.00 13.13 H new ATOM 0 HB3 ASN A 85 -30.414 0.228 25.248 1.00 13.13 H new ATOM 0 HD21 ASN A 85 -27.193 2.854 25.535 1.00 1.21 H new ATOM 0 HD22 ASN A 85 -27.052 1.366 24.594 1.00 1.21 H new ATOM 1396 N VAL A 86 -29.814 -2.248 23.905 1.00 54.24 N ATOM 1397 CA VAL A 86 -30.552 -3.430 23.475 1.00 53.31 C ATOM 1398 C VAL A 86 -31.502 -3.911 24.566 1.00 72.22 C ATOM 1399 O VAL A 86 -31.118 -4.693 25.435 1.00 12.55 O ATOM 1400 CB VAL A 86 -29.600 -4.579 23.095 1.00 4.21 C ATOM 1401 CG1 VAL A 86 -28.991 -4.336 21.723 1.00 64.24 C ATOM 1402 CG2 VAL A 86 -28.514 -4.740 24.148 1.00 21.33 C ATOM 0 H VAL A 86 -29.719 -1.527 23.190 1.00 54.24 H new ATOM 0 HA VAL A 86 -31.129 -3.141 22.596 1.00 53.31 H new ATOM 0 HB VAL A 86 -30.174 -5.505 23.053 1.00 4.21 H new ATOM 0 HG11 VAL A 86 -28.321 -5.158 21.471 1.00 64.24 H new ATOM 0 HG12 VAL A 86 -29.785 -4.274 20.978 1.00 64.24 H new ATOM 0 HG13 VAL A 86 -28.430 -3.401 21.734 1.00 64.24 H new ATOM 0 HG21 VAL A 86 -27.850 -5.556 23.864 1.00 21.33 H new ATOM 0 HG22 VAL A 86 -27.941 -3.816 24.224 1.00 21.33 H new ATOM 0 HG23 VAL A 86 -28.972 -4.963 25.112 1.00 21.33 H new ATOM 1412 N GLN A 87 -32.744 -3.440 24.512 1.00 3.42 N ATOM 1413 CA GLN A 87 -33.749 -3.822 25.497 1.00 61.44 C ATOM 1414 C GLN A 87 -34.608 -4.972 24.979 1.00 5.22 C ATOM 1415 O GLN A 87 -34.418 -6.124 25.367 1.00 52.13 O ATOM 1416 CB GLN A 87 -34.635 -2.625 25.844 1.00 3.24 C ATOM 1417 CG GLN A 87 -34.581 -1.508 24.814 1.00 64.50 C ATOM 1418 CD GLN A 87 -35.500 -0.353 25.157 1.00 44.41 C ATOM 1419 OE1 GLN A 87 -36.711 -0.424 24.946 1.00 43.43 O ATOM 1420 NE2 GLN A 87 -34.928 0.721 25.690 1.00 63.15 N ATOM 0 H GLN A 87 -33.078 -2.794 23.797 1.00 3.42 H new ATOM 0 HA GLN A 87 -33.232 -4.155 26.397 1.00 61.44 H new ATOM 0 HB2 GLN A 87 -35.666 -2.964 25.946 1.00 3.24 H new ATOM 0 HB3 GLN A 87 -34.333 -2.229 26.813 1.00 3.24 H new ATOM 0 HG2 GLN A 87 -33.558 -1.142 24.734 1.00 64.50 H new ATOM 0 HG3 GLN A 87 -34.854 -1.907 23.837 1.00 64.50 H new ATOM 0 HE21 GLN A 87 -33.920 0.737 25.848 1.00 63.15 H new ATOM 0 HE22 GLN A 87 -35.496 1.530 25.942 1.00 63.15 H new ATOM 1429 N ASN A 88 -35.552 -4.650 24.102 1.00 54.43 N ATOM 1430 CA ASN A 88 -36.441 -5.656 23.532 1.00 52.43 C ATOM 1431 C ASN A 88 -35.647 -6.721 22.782 1.00 31.12 C ATOM 1432 O ASN A 88 -35.748 -7.911 23.081 1.00 22.15 O ATOM 1433 CB ASN A 88 -37.451 -4.999 22.589 1.00 41.55 C ATOM 1434 CG ASN A 88 -37.889 -5.927 21.473 1.00 61.25 C ATOM 1435 OD1 ASN A 88 -38.843 -6.690 21.623 1.00 34.03 O ATOM 1436 ND2 ASN A 88 -37.191 -5.867 20.344 1.00 1.45 N ATOM 0 H ASN A 88 -35.722 -3.701 23.770 1.00 54.43 H new ATOM 0 HA ASN A 88 -36.977 -6.136 24.350 1.00 52.43 H new ATOM 0 HB2 ASN A 88 -38.325 -4.684 23.159 1.00 41.55 H new ATOM 0 HB3 ASN A 88 -37.010 -4.100 22.158 1.00 41.55 H new ATOM 0 HD21 ASN A 88 -37.439 -6.468 19.558 1.00 1.45 H new ATOM 0 HD22 ASN A 88 -36.407 -5.219 20.263 1.00 1.45 H new ATOM 1443 N VAL A 89 -34.857 -6.285 21.806 1.00 24.34 N ATOM 1444 CA VAL A 89 -34.044 -7.201 21.015 1.00 45.32 C ATOM 1445 C VAL A 89 -33.224 -8.123 21.911 1.00 52.14 C ATOM 1446 O VAL A 89 -32.643 -7.685 22.903 1.00 45.13 O ATOM 1447 CB VAL A 89 -33.092 -6.437 20.075 1.00 5.34 C ATOM 1448 CG1 VAL A 89 -32.390 -5.313 20.824 1.00 74.31 C ATOM 1449 CG2 VAL A 89 -32.080 -7.388 19.455 1.00 44.34 C ATOM 0 H VAL A 89 -34.763 -5.304 21.544 1.00 24.34 H new ATOM 0 HA VAL A 89 -34.732 -7.799 20.417 1.00 45.32 H new ATOM 0 HB VAL A 89 -33.680 -5.994 19.272 1.00 5.34 H new ATOM 0 HG11 VAL A 89 -31.722 -4.785 20.144 1.00 74.31 H new ATOM 0 HG12 VAL A 89 -33.132 -4.618 21.216 1.00 74.31 H new ATOM 0 HG13 VAL A 89 -31.812 -5.731 21.649 1.00 74.31 H new ATOM 0 HG21 VAL A 89 -31.415 -6.832 18.794 1.00 44.34 H new ATOM 0 HG22 VAL A 89 -31.495 -7.861 20.243 1.00 44.34 H new ATOM 0 HG23 VAL A 89 -32.604 -8.154 18.883 1.00 44.34 H new ATOM 1459 N MET A 90 -33.183 -9.402 21.553 1.00 24.22 N ATOM 1460 CA MET A 90 -32.432 -10.387 22.324 1.00 14.34 C ATOM 1461 C MET A 90 -30.991 -10.477 21.835 1.00 44.23 C ATOM 1462 O MET A 90 -30.063 -10.054 22.525 1.00 31.33 O ATOM 1463 CB MET A 90 -33.102 -11.759 22.229 1.00 14.22 C ATOM 1464 CG MET A 90 -34.615 -11.708 22.371 1.00 40.31 C ATOM 1465 SD MET A 90 -35.442 -13.035 21.473 1.00 1.03 S ATOM 1466 CE MET A 90 -35.033 -12.607 19.783 1.00 41.40 C ATOM 0 H MET A 90 -33.660 -9.781 20.735 1.00 24.22 H new ATOM 0 HA MET A 90 -32.424 -10.066 23.366 1.00 14.34 H new ATOM 0 HB2 MET A 90 -32.850 -12.211 21.270 1.00 14.22 H new ATOM 0 HB3 MET A 90 -32.694 -12.408 23.004 1.00 14.22 H new ATOM 0 HG2 MET A 90 -34.879 -11.769 23.427 1.00 40.31 H new ATOM 0 HG3 MET A 90 -34.978 -10.747 22.007 1.00 40.31 H new ATOM 0 HE1 MET A 90 -35.804 -12.989 19.114 1.00 41.40 H new ATOM 0 HE2 MET A 90 -34.973 -11.523 19.687 1.00 41.40 H new ATOM 0 HE3 MET A 90 -34.072 -13.049 19.518 1.00 41.40 H new ATOM 1476 N ASP A 91 -30.810 -11.030 20.641 1.00 44.25 N ATOM 1477 CA ASP A 91 -29.480 -11.175 20.058 1.00 14.54 C ATOM 1478 C ASP A 91 -29.566 -11.729 18.640 1.00 62.11 C ATOM 1479 O ASP A 91 -28.734 -11.414 17.788 1.00 35.15 O ATOM 1480 CB ASP A 91 -28.617 -12.091 20.927 1.00 71.24 C ATOM 1481 CG ASP A 91 -27.137 -11.790 20.793 1.00 73.31 C ATOM 1482 OD1 ASP A 91 -26.790 -10.614 20.558 1.00 33.14 O ATOM 1483 OD2 ASP A 91 -26.326 -12.731 20.922 1.00 71.32 O ATOM 0 H ASP A 91 -31.567 -11.386 20.057 1.00 44.25 H new ATOM 0 HA ASP A 91 -29.019 -10.188 20.015 1.00 14.54 H new ATOM 0 HB2 ASP A 91 -28.914 -11.983 21.970 1.00 71.24 H new ATOM 0 HB3 ASP A 91 -28.800 -13.129 20.649 1.00 71.24 H new ATOM 1488 N SER A 92 -30.576 -12.557 18.394 1.00 63.54 N ATOM 1489 CA SER A 92 -30.767 -13.160 17.080 1.00 60.14 C ATOM 1490 C SER A 92 -30.814 -12.090 15.993 1.00 65.32 C ATOM 1491 O SER A 92 -30.163 -12.216 14.956 1.00 5.01 O ATOM 1492 CB SER A 92 -32.056 -13.984 17.056 1.00 41.13 C ATOM 1493 OG SER A 92 -31.846 -15.241 16.437 1.00 71.40 O ATOM 0 H SER A 92 -31.275 -12.826 19.087 1.00 63.54 H new ATOM 0 HA SER A 92 -29.920 -13.817 16.883 1.00 60.14 H new ATOM 0 HB2 SER A 92 -32.416 -14.132 18.074 1.00 41.13 H new ATOM 0 HB3 SER A 92 -32.832 -13.436 16.520 1.00 41.13 H new ATOM 0 HG SER A 92 -32.684 -15.749 16.436 1.00 71.40 H new ATOM 1499 N GLN A 93 -31.588 -11.039 16.239 1.00 12.22 N ATOM 1500 CA GLN A 93 -31.721 -9.947 15.282 1.00 63.23 C ATOM 1501 C GLN A 93 -30.432 -9.136 15.199 1.00 23.10 C ATOM 1502 O GLN A 93 -30.037 -8.687 14.122 1.00 4.54 O ATOM 1503 CB GLN A 93 -32.886 -9.037 15.673 1.00 40.55 C ATOM 1504 CG GLN A 93 -34.186 -9.372 14.960 1.00 60.23 C ATOM 1505 CD GLN A 93 -34.415 -10.866 14.837 1.00 54.32 C ATOM 1506 OE1 GLN A 93 -34.692 -11.376 13.751 1.00 55.42 O ATOM 1507 NE2 GLN A 93 -34.301 -11.576 15.953 1.00 62.33 N ATOM 0 H GLN A 93 -32.133 -10.920 17.093 1.00 12.22 H new ATOM 0 HA GLN A 93 -31.921 -10.379 14.301 1.00 63.23 H new ATOM 0 HB2 GLN A 93 -33.044 -9.105 16.749 1.00 40.55 H new ATOM 0 HB3 GLN A 93 -32.618 -8.003 15.455 1.00 40.55 H new ATOM 0 HG2 GLN A 93 -35.019 -8.924 15.501 1.00 60.23 H new ATOM 0 HG3 GLN A 93 -34.176 -8.927 13.965 1.00 60.23 H new ATOM 0 HE21 GLN A 93 -34.070 -11.112 16.831 1.00 62.33 H new ATOM 0 HE22 GLN A 93 -34.445 -12.586 15.932 1.00 62.33 H new ATOM 1516 N LEU A 94 -29.780 -8.952 16.342 1.00 71.31 N ATOM 1517 CA LEU A 94 -28.535 -8.195 16.399 1.00 2.43 C ATOM 1518 C LEU A 94 -27.472 -8.825 15.505 1.00 71.01 C ATOM 1519 O LEU A 94 -26.814 -8.135 14.727 1.00 23.02 O ATOM 1520 CB LEU A 94 -28.026 -8.120 17.840 1.00 12.20 C ATOM 1521 CG LEU A 94 -28.750 -7.133 18.757 1.00 71.21 C ATOM 1522 CD1 LEU A 94 -28.361 -7.369 20.208 1.00 20.01 C ATOM 1523 CD2 LEU A 94 -28.443 -5.700 18.347 1.00 74.33 C ATOM 0 H LEU A 94 -30.093 -9.317 17.242 1.00 71.31 H new ATOM 0 HA LEU A 94 -28.736 -7.186 16.038 1.00 2.43 H new ATOM 0 HB2 LEU A 94 -28.097 -9.114 18.281 1.00 12.20 H new ATOM 0 HB3 LEU A 94 -26.969 -7.856 17.817 1.00 12.20 H new ATOM 0 HG LEU A 94 -29.823 -7.296 18.659 1.00 71.21 H new ATOM 0 HD11 LEU A 94 -28.886 -6.658 20.846 1.00 20.01 H new ATOM 0 HD12 LEU A 94 -28.632 -8.384 20.497 1.00 20.01 H new ATOM 0 HD13 LEU A 94 -27.285 -7.234 20.323 1.00 20.01 H new ATOM 0 HD21 LEU A 94 -28.967 -5.012 19.010 1.00 74.33 H new ATOM 0 HD22 LEU A 94 -27.369 -5.524 18.415 1.00 74.33 H new ATOM 0 HD23 LEU A 94 -28.773 -5.537 17.321 1.00 74.33 H new ATOM 1535 N GLN A 95 -27.313 -10.139 15.620 1.00 23.54 N ATOM 1536 CA GLN A 95 -26.331 -10.863 14.821 1.00 50.42 C ATOM 1537 C GLN A 95 -26.638 -10.731 13.333 1.00 62.34 C ATOM 1538 O GLN A 95 -25.729 -10.655 12.506 1.00 12.53 O ATOM 1539 CB GLN A 95 -26.305 -12.339 15.220 1.00 62.01 C ATOM 1540 CG GLN A 95 -26.347 -12.564 16.723 1.00 43.13 C ATOM 1541 CD GLN A 95 -25.181 -13.396 17.221 1.00 14.41 C ATOM 1542 OE1 GLN A 95 -24.353 -13.858 16.436 1.00 31.10 O ATOM 1543 NE2 GLN A 95 -25.111 -13.590 18.533 1.00 61.43 N ATOM 0 H GLN A 95 -27.851 -10.724 16.259 1.00 23.54 H new ATOM 0 HA GLN A 95 -25.351 -10.426 15.012 1.00 50.42 H new ATOM 0 HB2 GLN A 95 -27.154 -12.846 14.761 1.00 62.01 H new ATOM 0 HB3 GLN A 95 -25.403 -12.800 14.817 1.00 62.01 H new ATOM 0 HG2 GLN A 95 -26.344 -11.600 17.231 1.00 43.13 H new ATOM 0 HG3 GLN A 95 -27.281 -13.060 16.986 1.00 43.13 H new ATOM 0 HE21 GLN A 95 -25.820 -13.188 19.147 1.00 61.43 H new ATOM 0 HE22 GLN A 95 -24.348 -14.141 18.927 1.00 61.43 H new ATOM 1552 N MET A 96 -27.924 -10.706 12.999 1.00 61.54 N ATOM 1553 CA MET A 96 -28.350 -10.584 11.609 1.00 10.44 C ATOM 1554 C MET A 96 -27.861 -9.271 11.005 1.00 71.22 C ATOM 1555 O MET A 96 -27.401 -9.235 9.863 1.00 63.41 O ATOM 1556 CB MET A 96 -29.875 -10.667 11.512 1.00 45.21 C ATOM 1557 CG MET A 96 -30.417 -10.301 10.140 1.00 43.52 C ATOM 1558 SD MET A 96 -32.161 -9.846 10.181 1.00 41.41 S ATOM 1559 CE MET A 96 -32.064 -8.196 10.873 1.00 74.40 C ATOM 0 H MET A 96 -28.689 -10.769 13.671 1.00 61.54 H new ATOM 0 HA MET A 96 -27.912 -11.408 11.046 1.00 10.44 H new ATOM 0 HB2 MET A 96 -30.192 -11.680 11.761 1.00 45.21 H new ATOM 0 HB3 MET A 96 -30.315 -10.003 12.256 1.00 45.21 H new ATOM 0 HG2 MET A 96 -29.838 -9.471 9.735 1.00 43.52 H new ATOM 0 HG3 MET A 96 -30.281 -11.145 9.463 1.00 43.52 H new ATOM 0 HE1 MET A 96 -33.012 -7.680 10.718 1.00 74.40 H new ATOM 0 HE2 MET A 96 -31.857 -8.261 11.941 1.00 74.40 H new ATOM 0 HE3 MET A 96 -31.264 -7.642 10.381 1.00 74.40 H new ATOM 1569 N LEU A 97 -27.964 -8.195 11.777 1.00 51.03 N ATOM 1570 CA LEU A 97 -27.532 -6.880 11.317 1.00 53.51 C ATOM 1571 C LEU A 97 -26.047 -6.884 10.970 1.00 71.53 C ATOM 1572 O LEU A 97 -25.636 -6.340 9.945 1.00 41.30 O ATOM 1573 CB LEU A 97 -27.814 -5.825 12.389 1.00 63.12 C ATOM 1574 CG LEU A 97 -29.276 -5.668 12.809 1.00 64.51 C ATOM 1575 CD1 LEU A 97 -29.392 -4.720 13.992 1.00 53.12 C ATOM 1576 CD2 LEU A 97 -30.116 -5.173 11.641 1.00 61.22 C ATOM 0 H LEU A 97 -28.343 -8.207 12.724 1.00 51.03 H new ATOM 0 HA LEU A 97 -28.095 -6.635 10.417 1.00 53.51 H new ATOM 0 HB2 LEU A 97 -27.227 -6.070 13.274 1.00 63.12 H new ATOM 0 HB3 LEU A 97 -27.456 -4.862 12.025 1.00 63.12 H new ATOM 0 HG LEU A 97 -29.654 -6.644 13.114 1.00 64.51 H new ATOM 0 HD11 LEU A 97 -30.439 -4.620 14.277 1.00 53.12 H new ATOM 0 HD12 LEU A 97 -28.823 -5.116 14.833 1.00 53.12 H new ATOM 0 HD13 LEU A 97 -28.997 -3.743 13.715 1.00 53.12 H new ATOM 0 HD21 LEU A 97 -31.153 -5.067 11.958 1.00 61.22 H new ATOM 0 HD22 LEU A 97 -29.739 -4.207 11.305 1.00 61.22 H new ATOM 0 HD23 LEU A 97 -30.058 -5.890 10.822 1.00 61.22 H new ATOM 1588 N LYS A 98 -25.246 -7.505 11.829 1.00 70.20 N ATOM 1589 CA LYS A 98 -23.806 -7.585 11.613 1.00 73.32 C ATOM 1590 C LYS A 98 -23.494 -8.203 10.254 1.00 43.25 C ATOM 1591 O LYS A 98 -22.570 -7.772 9.563 1.00 22.43 O ATOM 1592 CB LYS A 98 -23.148 -8.409 12.722 1.00 12.43 C ATOM 1593 CG LYS A 98 -23.350 -7.829 14.112 1.00 54.35 C ATOM 1594 CD LYS A 98 -22.727 -6.449 14.236 1.00 43.31 C ATOM 1595 CE LYS A 98 -21.855 -6.341 15.478 1.00 41.04 C ATOM 1596 NZ LYS A 98 -20.434 -6.679 15.189 1.00 62.24 N ATOM 0 H LYS A 98 -25.570 -7.961 12.682 1.00 70.20 H new ATOM 0 HA LYS A 98 -23.404 -6.572 11.634 1.00 73.32 H new ATOM 0 HB2 LYS A 98 -23.550 -9.422 12.698 1.00 12.43 H new ATOM 0 HB3 LYS A 98 -22.079 -8.486 12.521 1.00 12.43 H new ATOM 0 HG2 LYS A 98 -24.416 -7.769 14.331 1.00 54.35 H new ATOM 0 HG3 LYS A 98 -22.910 -8.496 14.853 1.00 54.35 H new ATOM 0 HD2 LYS A 98 -22.128 -6.238 13.350 1.00 43.31 H new ATOM 0 HD3 LYS A 98 -23.514 -5.696 14.276 1.00 43.31 H new ATOM 0 HE2 LYS A 98 -21.914 -5.328 15.876 1.00 41.04 H new ATOM 0 HE3 LYS A 98 -22.238 -7.009 16.250 1.00 41.04 H new ATOM 0 HZ1 LYS A 98 -19.873 -6.594 16.060 1.00 62.24 H new ATOM 0 HZ2 LYS A 98 -20.375 -7.654 14.833 1.00 62.24 H new ATOM 0 HZ3 LYS A 98 -20.061 -6.025 14.471 1.00 62.24 H new ATOM 1610 N SER A 99 -24.271 -9.213 9.875 1.00 45.44 N ATOM 1611 CA SER A 99 -24.075 -9.891 8.599 1.00 43.45 C ATOM 1612 C SER A 99 -24.325 -8.938 7.433 1.00 23.03 C ATOM 1613 O SER A 99 -23.604 -8.959 6.436 1.00 11.51 O ATOM 1614 CB SER A 99 -25.005 -11.100 8.492 1.00 60.43 C ATOM 1615 OG SER A 99 -24.746 -12.036 9.524 1.00 44.10 O ATOM 0 H SER A 99 -25.042 -9.580 10.433 1.00 45.44 H new ATOM 0 HA SER A 99 -23.041 -10.232 8.552 1.00 43.45 H new ATOM 0 HB2 SER A 99 -26.043 -10.771 8.548 1.00 60.43 H new ATOM 0 HB3 SER A 99 -24.874 -11.579 7.521 1.00 60.43 H new ATOM 0 HG SER A 99 -25.355 -12.799 9.434 1.00 44.10 H new ATOM 1621 N GLU A 100 -25.352 -8.105 7.568 1.00 5.53 N ATOM 1622 CA GLU A 100 -25.698 -7.145 6.527 1.00 45.35 C ATOM 1623 C GLU A 100 -24.666 -6.023 6.456 1.00 1.52 C ATOM 1624 O GLU A 100 -24.464 -5.414 5.405 1.00 73.31 O ATOM 1625 CB GLU A 100 -27.088 -6.559 6.783 1.00 63.00 C ATOM 1626 CG GLU A 100 -28.182 -7.609 6.878 1.00 53.55 C ATOM 1627 CD GLU A 100 -28.898 -7.826 5.558 1.00 2.23 C ATOM 1628 OE1 GLU A 100 -28.579 -7.110 4.586 1.00 4.42 O ATOM 1629 OE2 GLU A 100 -29.776 -8.711 5.498 1.00 54.11 O ATOM 0 H GLU A 100 -25.958 -8.076 8.388 1.00 5.53 H new ATOM 0 HA GLU A 100 -25.704 -7.671 5.572 1.00 45.35 H new ATOM 0 HB2 GLU A 100 -27.066 -5.984 7.709 1.00 63.00 H new ATOM 0 HB3 GLU A 100 -27.333 -5.862 5.981 1.00 63.00 H new ATOM 0 HG2 GLU A 100 -27.748 -8.552 7.211 1.00 53.55 H new ATOM 0 HG3 GLU A 100 -28.906 -7.307 7.635 1.00 53.55 H new ATOM 1636 N PHE A 101 -24.015 -5.753 7.583 1.00 35.34 N ATOM 1637 CA PHE A 101 -23.006 -4.703 7.651 1.00 24.52 C ATOM 1638 C PHE A 101 -21.861 -4.986 6.682 1.00 34.11 C ATOM 1639 O PHE A 101 -21.238 -4.065 6.154 1.00 62.22 O ATOM 1640 CB PHE A 101 -22.463 -4.580 9.077 1.00 41.15 C ATOM 1641 CG PHE A 101 -23.479 -4.082 10.064 1.00 53.32 C ATOM 1642 CD1 PHE A 101 -24.779 -3.815 9.665 1.00 33.32 C ATOM 1643 CD2 PHE A 101 -23.135 -3.879 11.391 1.00 64.35 C ATOM 1644 CE1 PHE A 101 -25.717 -3.357 10.571 1.00 32.13 C ATOM 1645 CE2 PHE A 101 -24.068 -3.422 12.301 1.00 12.21 C ATOM 1646 CZ PHE A 101 -25.361 -3.159 11.891 1.00 63.22 C ATOM 0 H PHE A 101 -24.169 -6.247 8.462 1.00 35.34 H new ATOM 0 HA PHE A 101 -23.477 -3.762 7.366 1.00 24.52 H new ATOM 0 HB2 PHE A 101 -22.098 -5.554 9.403 1.00 41.15 H new ATOM 0 HB3 PHE A 101 -21.608 -3.904 9.075 1.00 41.15 H new ATOM 0 HD1 PHE A 101 -25.063 -3.967 8.634 1.00 33.32 H new ATOM 0 HD2 PHE A 101 -22.125 -4.081 11.717 1.00 64.35 H new ATOM 0 HE1 PHE A 101 -26.727 -3.154 10.247 1.00 32.13 H new ATOM 0 HE2 PHE A 101 -23.787 -3.270 13.333 1.00 12.21 H new ATOM 0 HZ PHE A 101 -26.091 -2.800 12.601 1.00 63.22 H new ATOM 1656 N LYS A 102 -21.590 -6.267 6.453 1.00 13.44 N ATOM 1657 CA LYS A 102 -20.522 -6.673 5.548 1.00 73.20 C ATOM 1658 C LYS A 102 -20.925 -6.446 4.094 1.00 34.45 C ATOM 1659 O LYS A 102 -20.124 -5.985 3.282 1.00 63.44 O ATOM 1660 CB LYS A 102 -20.173 -8.147 5.767 1.00 32.04 C ATOM 1661 CG LYS A 102 -18.840 -8.553 5.164 1.00 5.52 C ATOM 1662 CD LYS A 102 -18.210 -9.706 5.928 1.00 42.45 C ATOM 1663 CE LYS A 102 -17.481 -9.219 7.171 1.00 62.04 C ATOM 1664 NZ LYS A 102 -17.089 -10.347 8.061 1.00 14.41 N ATOM 0 H LYS A 102 -22.096 -7.042 6.882 1.00 13.44 H new ATOM 0 HA LYS A 102 -19.645 -6.062 5.763 1.00 73.20 H new ATOM 0 HB2 LYS A 102 -20.155 -8.352 6.837 1.00 32.04 H new ATOM 0 HB3 LYS A 102 -20.960 -8.766 5.337 1.00 32.04 H new ATOM 0 HG2 LYS A 102 -18.983 -8.841 4.122 1.00 5.52 H new ATOM 0 HG3 LYS A 102 -18.163 -7.699 5.168 1.00 5.52 H new ATOM 0 HD2 LYS A 102 -18.983 -10.419 6.214 1.00 42.45 H new ATOM 0 HD3 LYS A 102 -17.512 -10.235 5.279 1.00 42.45 H new ATOM 0 HE2 LYS A 102 -16.591 -8.663 6.876 1.00 62.04 H new ATOM 0 HE3 LYS A 102 -18.121 -8.528 7.720 1.00 62.04 H new ATOM 0 HZ1 LYS A 102 -16.595 -9.974 8.897 1.00 14.41 H new ATOM 0 HZ2 LYS A 102 -17.940 -10.863 8.363 1.00 14.41 H new ATOM 0 HZ3 LYS A 102 -16.458 -10.993 7.545 1.00 14.41 H new ATOM 1678 N LYS A 103 -22.173 -6.772 3.774 1.00 50.34 N ATOM 1679 CA LYS A 103 -22.684 -6.601 2.419 1.00 74.12 C ATOM 1680 C LYS A 103 -22.841 -5.122 2.079 1.00 60.45 C ATOM 1681 O LYS A 103 -22.519 -4.694 0.970 1.00 3.21 O ATOM 1682 CB LYS A 103 -24.029 -7.316 2.265 1.00 1.34 C ATOM 1683 CG LYS A 103 -24.667 -7.125 0.900 1.00 1.23 C ATOM 1684 CD LYS A 103 -26.152 -7.444 0.929 1.00 13.24 C ATOM 1685 CE LYS A 103 -26.941 -6.359 1.646 1.00 13.14 C ATOM 1686 NZ LYS A 103 -26.803 -5.037 0.975 1.00 51.11 N ATOM 0 H LYS A 103 -22.849 -7.156 4.434 1.00 50.34 H new ATOM 0 HA LYS A 103 -21.964 -7.040 1.728 1.00 74.12 H new ATOM 0 HB2 LYS A 103 -23.887 -8.382 2.444 1.00 1.34 H new ATOM 0 HB3 LYS A 103 -24.714 -6.952 3.031 1.00 1.34 H new ATOM 0 HG2 LYS A 103 -24.521 -6.096 0.570 1.00 1.23 H new ATOM 0 HG3 LYS A 103 -24.170 -7.767 0.172 1.00 1.23 H new ATOM 0 HD2 LYS A 103 -26.522 -7.551 -0.091 1.00 13.24 H new ATOM 0 HD3 LYS A 103 -26.310 -8.400 1.428 1.00 13.24 H new ATOM 0 HE2 LYS A 103 -27.994 -6.640 1.682 1.00 13.14 H new ATOM 0 HE3 LYS A 103 -26.596 -6.281 2.677 1.00 13.14 H new ATOM 0 HZ1 LYS A 103 -27.606 -4.430 1.236 1.00 51.11 H new ATOM 0 HZ2 LYS A 103 -25.915 -4.586 1.275 1.00 51.11 H new ATOM 0 HZ3 LYS A 103 -26.792 -5.171 -0.056 1.00 51.11 H new ATOM 1700 N ILE A 104 -23.336 -4.348 3.038 1.00 23.34 N ATOM 1701 CA ILE A 104 -23.532 -2.918 2.840 1.00 2.42 C ATOM 1702 C ILE A 104 -22.201 -2.205 2.627 1.00 2.41 C ATOM 1703 O ILE A 104 -22.054 -1.404 1.703 1.00 11.54 O ATOM 1704 CB ILE A 104 -24.258 -2.278 4.038 1.00 12.40 C ATOM 1705 CG1 ILE A 104 -25.751 -2.608 3.993 1.00 55.25 C ATOM 1706 CG2 ILE A 104 -24.043 -0.772 4.045 1.00 51.42 C ATOM 1707 CD1 ILE A 104 -26.313 -3.052 5.325 1.00 10.42 C ATOM 0 H ILE A 104 -23.609 -4.687 3.960 1.00 23.34 H new ATOM 0 HA ILE A 104 -24.149 -2.805 1.949 1.00 2.42 H new ATOM 0 HB ILE A 104 -23.842 -2.689 4.958 1.00 12.40 H new ATOM 0 HG12 ILE A 104 -26.299 -1.730 3.652 1.00 55.25 H new ATOM 0 HG13 ILE A 104 -25.919 -3.394 3.257 1.00 55.25 H new ATOM 0 HG21 ILE A 104 -24.562 -0.334 4.898 1.00 51.42 H new ATOM 0 HG22 ILE A 104 -22.977 -0.557 4.120 1.00 51.42 H new ATOM 0 HG23 ILE A 104 -24.435 -0.344 3.122 1.00 51.42 H new ATOM 0 HD11 ILE A 104 -27.376 -3.269 5.217 1.00 10.42 H new ATOM 0 HD12 ILE A 104 -25.792 -3.949 5.659 1.00 10.42 H new ATOM 0 HD13 ILE A 104 -26.177 -2.258 6.060 1.00 10.42 H new ATOM 1719 N HIS A 105 -21.232 -2.502 3.487 1.00 62.40 N ATOM 1720 CA HIS A 105 -19.911 -1.892 3.392 1.00 43.44 C ATOM 1721 C HIS A 105 -19.231 -2.270 2.079 1.00 3.22 C ATOM 1722 O HIS A 105 -18.630 -1.426 1.415 1.00 73.42 O ATOM 1723 CB HIS A 105 -19.040 -2.322 4.573 1.00 53.31 C ATOM 1724 CG HIS A 105 -17.572 -2.156 4.327 1.00 53.32 C ATOM 1725 ND1 HIS A 105 -17.030 -1.034 3.736 1.00 12.23 N ATOM 1726 CD2 HIS A 105 -16.531 -2.977 4.597 1.00 60.32 C ATOM 1727 CE1 HIS A 105 -15.719 -1.173 3.652 1.00 33.10 C ATOM 1728 NE2 HIS A 105 -15.391 -2.344 4.168 1.00 43.12 N ATOM 0 H HIS A 105 -21.337 -3.162 4.258 1.00 62.40 H new ATOM 0 HA HIS A 105 -20.036 -0.809 3.418 1.00 43.44 H new ATOM 0 HB2 HIS A 105 -19.321 -1.741 5.451 1.00 53.31 H new ATOM 0 HB3 HIS A 105 -19.245 -3.367 4.804 1.00 53.31 H new ATOM 0 HD2 HIS A 105 -16.587 -3.950 5.063 1.00 60.32 H new ATOM 0 HE1 HIS A 105 -15.032 -0.452 3.233 1.00 33.10 H new ATOM 0 HE2 HIS A 105 -14.444 -2.717 4.237 1.00 43.12 H new ATOM 1736 N ASN A 106 -19.329 -3.544 1.713 1.00 52.31 N ATOM 1737 CA ASN A 106 -18.722 -4.034 0.481 1.00 54.34 C ATOM 1738 C ASN A 106 -19.228 -3.247 -0.725 1.00 33.30 C ATOM 1739 O ASN A 106 -18.454 -2.877 -1.609 1.00 14.14 O ATOM 1740 CB ASN A 106 -19.024 -5.522 0.296 1.00 72.22 C ATOM 1741 CG ASN A 106 -17.767 -6.370 0.287 1.00 20.31 C ATOM 1742 OD1 ASN A 106 -17.108 -6.513 -0.743 1.00 0.30 O ATOM 1743 ND2 ASN A 106 -17.429 -6.939 1.439 1.00 40.43 N ATOM 0 H ASN A 106 -19.823 -4.255 2.252 1.00 52.31 H new ATOM 0 HA ASN A 106 -17.643 -3.896 0.557 1.00 54.34 H new ATOM 0 HB2 ASN A 106 -19.681 -5.859 1.098 1.00 72.22 H new ATOM 0 HB3 ASN A 106 -19.564 -5.667 -0.640 1.00 72.22 H new ATOM 0 HD21 ASN A 106 -16.594 -7.522 1.494 1.00 40.43 H new ATOM 0 HD22 ASN A 106 -18.005 -6.793 2.268 1.00 40.43 H new ATOM 1750 N THR A 107 -20.533 -2.995 -0.755 1.00 12.52 N ATOM 1751 CA THR A 107 -21.143 -2.253 -1.851 1.00 52.01 C ATOM 1752 C THR A 107 -20.892 -0.756 -1.709 1.00 61.13 C ATOM 1753 O THR A 107 -20.809 -0.034 -2.703 1.00 23.21 O ATOM 1754 CB THR A 107 -22.662 -2.503 -1.922 1.00 5.41 C ATOM 1755 OG1 THR A 107 -23.223 -1.793 -3.032 1.00 34.52 O ATOM 1756 CG2 THR A 107 -23.343 -2.062 -0.635 1.00 21.50 C ATOM 0 H THR A 107 -21.188 -3.294 -0.032 1.00 12.52 H new ATOM 0 HA THR A 107 -20.680 -2.610 -2.771 1.00 52.01 H new ATOM 0 HB THR A 107 -22.827 -3.572 -2.054 1.00 5.41 H new ATOM 0 HG1 THR A 107 -24.188 -1.958 -3.072 1.00 34.52 H new ATOM 0 HG21 THR A 107 -24.415 -2.248 -0.708 1.00 21.50 H new ATOM 0 HG22 THR A 107 -22.934 -2.624 0.204 1.00 21.50 H new ATOM 0 HG23 THR A 107 -23.169 -0.997 -0.478 1.00 21.50 H new ATOM 1764 N SER A 108 -20.771 -0.296 -0.468 1.00 51.02 N ATOM 1765 CA SER A 108 -20.532 1.117 -0.197 1.00 30.34 C ATOM 1766 C SER A 108 -19.096 1.346 0.264 1.00 22.25 C ATOM 1767 O SER A 108 -18.827 2.230 1.077 1.00 1.52 O ATOM 1768 CB SER A 108 -21.508 1.626 0.866 1.00 71.32 C ATOM 1769 OG SER A 108 -22.811 1.780 0.330 1.00 62.43 O ATOM 0 H SER A 108 -20.834 -0.881 0.365 1.00 51.02 H new ATOM 0 HA SER A 108 -20.691 1.671 -1.122 1.00 30.34 H new ATOM 0 HB2 SER A 108 -21.536 0.928 1.703 1.00 71.32 H new ATOM 0 HB3 SER A 108 -21.158 2.581 1.259 1.00 71.32 H new ATOM 0 HG SER A 108 -23.155 2.669 0.557 1.00 62.43 H new ATOM 1775 N ARG A 109 -18.177 0.542 -0.261 1.00 31.23 N ATOM 1776 CA ARG A 109 -16.768 0.655 0.097 1.00 33.01 C ATOM 1777 C ARG A 109 -16.123 1.846 -0.605 1.00 12.42 C ATOM 1778 O ARG A 109 -15.454 1.691 -1.625 1.00 65.30 O ATOM 1779 CB ARG A 109 -16.023 -0.630 -0.267 1.00 62.22 C ATOM 1780 CG ARG A 109 -14.563 -0.628 0.154 1.00 5.44 C ATOM 1781 CD ARG A 109 -13.983 -2.033 0.163 1.00 23.44 C ATOM 1782 NE ARG A 109 -12.541 -2.032 -0.068 1.00 23.21 N ATOM 1783 CZ ARG A 109 -11.828 -3.135 -0.268 1.00 43.14 C ATOM 1784 NH1 ARG A 109 -12.420 -4.321 -0.267 1.00 13.05 N ATOM 1785 NH2 ARG A 109 -10.519 -3.052 -0.472 1.00 71.41 N ATOM 0 H ARG A 109 -18.383 -0.195 -0.936 1.00 31.23 H new ATOM 0 HA ARG A 109 -16.704 0.811 1.174 1.00 33.01 H new ATOM 0 HB2 ARG A 109 -16.526 -1.476 0.201 1.00 62.22 H new ATOM 0 HB3 ARG A 109 -16.081 -0.781 -1.345 1.00 62.22 H new ATOM 0 HG2 ARG A 109 -13.988 -0.000 -0.527 1.00 5.44 H new ATOM 0 HG3 ARG A 109 -14.470 -0.189 1.147 1.00 5.44 H new ATOM 0 HD2 ARG A 109 -14.196 -2.507 1.121 1.00 23.44 H new ATOM 0 HD3 ARG A 109 -14.473 -2.632 -0.605 1.00 23.44 H new ATOM 0 HE ARG A 109 -12.055 -1.135 -0.076 1.00 23.21 H new ATOM 0 HH11 ARG A 109 -13.426 -4.389 -0.112 1.00 13.05 H new ATOM 0 HH12 ARG A 109 -11.870 -5.166 -0.421 1.00 13.05 H new ATOM 0 HH21 ARG A 109 -10.060 -2.141 -0.475 1.00 71.41 H new ATOM 0 HH22 ARG A 109 -9.972 -3.899 -0.625 1.00 71.41 H new ATOM 1799 N GLY A 110 -16.331 3.037 -0.050 1.00 43.04 N ATOM 1800 CA GLY A 110 -15.764 4.237 -0.637 1.00 4.32 C ATOM 1801 C GLY A 110 -16.600 5.470 -0.357 1.00 51.11 C ATOM 1802 O GLY A 110 -16.074 6.580 -0.282 1.00 10.12 O ATOM 0 H GLY A 110 -16.881 3.192 0.795 1.00 43.04 H new ATOM 0 HA2 GLY A 110 -14.757 4.388 -0.247 1.00 4.32 H new ATOM 0 HA3 GLY A 110 -15.671 4.102 -1.715 1.00 4.32 H new ATOM 1806 N GLN A 111 -17.906 5.275 -0.205 1.00 1.23 N ATOM 1807 CA GLN A 111 -18.816 6.381 0.066 1.00 55.54 C ATOM 1808 C GLN A 111 -19.379 6.290 1.480 1.00 14.11 C ATOM 1809 O GLN A 111 -18.858 5.557 2.319 1.00 63.50 O ATOM 1810 CB GLN A 111 -19.959 6.389 -0.951 1.00 52.33 C ATOM 1811 CG GLN A 111 -20.908 5.210 -0.810 1.00 25.31 C ATOM 1812 CD GLN A 111 -21.283 4.599 -2.146 1.00 12.52 C ATOM 1813 OE1 GLN A 111 -22.414 4.743 -2.611 1.00 12.30 O ATOM 1814 NE2 GLN A 111 -20.334 3.913 -2.771 1.00 40.23 N ATOM 0 H GLN A 111 -18.357 4.362 -0.265 1.00 1.23 H new ATOM 0 HA GLN A 111 -18.254 7.311 -0.022 1.00 55.54 H new ATOM 0 HB2 GLN A 111 -20.524 7.315 -0.842 1.00 52.33 H new ATOM 0 HB3 GLN A 111 -19.539 6.388 -1.957 1.00 52.33 H new ATOM 0 HG2 GLN A 111 -20.444 4.448 -0.184 1.00 25.31 H new ATOM 0 HG3 GLN A 111 -21.813 5.536 -0.297 1.00 25.31 H new ATOM 0 HE21 GLN A 111 -19.410 3.819 -2.349 1.00 40.23 H new ATOM 0 HE22 GLN A 111 -20.528 3.480 -3.674 1.00 40.23 H new ATOM 1823 N GLU A 112 -20.447 7.040 1.737 1.00 45.22 N ATOM 1824 CA GLU A 112 -21.079 7.044 3.051 1.00 63.22 C ATOM 1825 C GLU A 112 -21.725 5.693 3.347 1.00 4.45 C ATOM 1826 O GLU A 112 -22.421 5.128 2.504 1.00 63.12 O ATOM 1827 CB GLU A 112 -22.130 8.153 3.133 1.00 45.03 C ATOM 1828 CG GLU A 112 -21.631 9.501 2.641 1.00 42.42 C ATOM 1829 CD GLU A 112 -22.753 10.394 2.148 1.00 11.23 C ATOM 1830 OE1 GLU A 112 -23.782 10.496 2.849 1.00 43.42 O ATOM 1831 OE2 GLU A 112 -22.602 10.991 1.062 1.00 51.14 O ATOM 0 H GLU A 112 -20.892 7.652 1.053 1.00 45.22 H new ATOM 0 HA GLU A 112 -20.307 7.230 3.797 1.00 63.22 H new ATOM 0 HB2 GLU A 112 -23.001 7.861 2.546 1.00 45.03 H new ATOM 0 HB3 GLU A 112 -22.461 8.253 4.167 1.00 45.03 H new ATOM 0 HG2 GLU A 112 -21.099 10.004 3.449 1.00 42.42 H new ATOM 0 HG3 GLU A 112 -20.914 9.347 1.835 1.00 42.42 H new ATOM 1838 N ILE A 113 -21.488 5.183 4.551 1.00 21.11 N ATOM 1839 CA ILE A 113 -22.046 3.900 4.959 1.00 34.05 C ATOM 1840 C ILE A 113 -22.880 4.042 6.229 1.00 42.14 C ATOM 1841 O ILE A 113 -23.678 3.165 6.560 1.00 14.42 O ATOM 1842 CB ILE A 113 -20.941 2.855 5.199 1.00 4.23 C ATOM 1843 CG1 ILE A 113 -19.925 3.380 6.216 1.00 44.21 C ATOM 1844 CG2 ILE A 113 -20.253 2.502 3.889 1.00 22.31 C ATOM 1845 CD1 ILE A 113 -19.427 2.321 7.175 1.00 14.51 C ATOM 0 H ILE A 113 -20.914 5.638 5.260 1.00 21.11 H new ATOM 0 HA ILE A 113 -22.684 3.561 4.143 1.00 34.05 H new ATOM 0 HB ILE A 113 -21.397 1.951 5.603 1.00 4.23 H new ATOM 0 HG12 ILE A 113 -19.075 3.804 5.682 1.00 44.21 H new ATOM 0 HG13 ILE A 113 -20.379 4.190 6.786 1.00 44.21 H new ATOM 0 HG21 ILE A 113 -19.474 1.762 4.075 1.00 22.31 H new ATOM 0 HG22 ILE A 113 -20.985 2.092 3.193 1.00 22.31 H new ATOM 0 HG23 ILE A 113 -19.806 3.399 3.459 1.00 22.31 H new ATOM 0 HD11 ILE A 113 -18.711 2.764 7.867 1.00 14.51 H new ATOM 0 HD12 ILE A 113 -20.268 1.913 7.736 1.00 14.51 H new ATOM 0 HD13 ILE A 113 -18.943 1.521 6.614 1.00 14.51 H new ATOM 1857 N ILE A 114 -22.690 5.152 6.933 1.00 5.34 N ATOM 1858 CA ILE A 114 -23.426 5.411 8.165 1.00 61.45 C ATOM 1859 C ILE A 114 -24.931 5.381 7.921 1.00 10.43 C ATOM 1860 O ILE A 114 -25.687 4.813 8.709 1.00 32.02 O ATOM 1861 CB ILE A 114 -23.042 6.771 8.775 1.00 12.50 C ATOM 1862 CG1 ILE A 114 -21.523 6.950 8.763 1.00 3.21 C ATOM 1863 CG2 ILE A 114 -23.584 6.888 10.192 1.00 24.21 C ATOM 1864 CD1 ILE A 114 -20.768 5.742 9.273 1.00 52.40 C ATOM 0 H ILE A 114 -22.033 5.887 6.672 1.00 5.34 H new ATOM 0 HA ILE A 114 -23.158 4.620 8.866 1.00 61.45 H new ATOM 0 HB ILE A 114 -23.486 7.562 8.171 1.00 12.50 H new ATOM 0 HG12 ILE A 114 -21.199 7.168 7.745 1.00 3.21 H new ATOM 0 HG13 ILE A 114 -21.262 7.815 9.373 1.00 3.21 H new ATOM 0 HG21 ILE A 114 -23.304 7.855 10.610 1.00 24.21 H new ATOM 0 HG22 ILE A 114 -24.670 6.801 10.174 1.00 24.21 H new ATOM 0 HG23 ILE A 114 -23.166 6.092 10.808 1.00 24.21 H new ATOM 0 HD11 ILE A 114 -19.697 5.940 9.236 1.00 52.40 H new ATOM 0 HD12 ILE A 114 -21.064 5.536 10.302 1.00 52.40 H new ATOM 0 HD13 ILE A 114 -20.999 4.879 8.649 1.00 52.40 H new ATOM 1876 N PHE A 115 -25.359 5.996 6.824 1.00 55.41 N ATOM 1877 CA PHE A 115 -26.775 6.040 6.475 1.00 2.54 C ATOM 1878 C PHE A 115 -27.271 4.665 6.041 1.00 61.45 C ATOM 1879 O PHE A 115 -28.431 4.315 6.257 1.00 24.04 O ATOM 1880 CB PHE A 115 -27.015 7.058 5.359 1.00 54.34 C ATOM 1881 CG PHE A 115 -28.441 7.522 5.267 1.00 72.43 C ATOM 1882 CD1 PHE A 115 -28.931 8.476 6.143 1.00 12.23 C ATOM 1883 CD2 PHE A 115 -29.292 7.002 4.304 1.00 4.00 C ATOM 1884 CE1 PHE A 115 -30.243 8.905 6.061 1.00 3.02 C ATOM 1885 CE2 PHE A 115 -30.604 7.427 4.217 1.00 43.31 C ATOM 1886 CZ PHE A 115 -31.080 8.379 5.097 1.00 32.03 C ATOM 0 H PHE A 115 -24.746 6.471 6.161 1.00 55.41 H new ATOM 0 HA PHE A 115 -27.333 6.344 7.361 1.00 2.54 H new ATOM 0 HB2 PHE A 115 -26.370 7.922 5.521 1.00 54.34 H new ATOM 0 HB3 PHE A 115 -26.723 6.616 4.406 1.00 54.34 H new ATOM 0 HD1 PHE A 115 -28.281 8.890 6.899 1.00 12.23 H new ATOM 0 HD2 PHE A 115 -28.925 6.256 3.614 1.00 4.00 H new ATOM 0 HE1 PHE A 115 -30.612 9.650 6.750 1.00 3.02 H new ATOM 0 HE2 PHE A 115 -31.257 7.015 3.461 1.00 43.31 H new ATOM 0 HZ PHE A 115 -32.105 8.712 5.031 1.00 32.03 H new ATOM 1896 N GLU A 116 -26.383 3.889 5.425 1.00 14.31 N ATOM 1897 CA GLU A 116 -26.732 2.552 4.958 1.00 4.54 C ATOM 1898 C GLU A 116 -26.985 1.614 6.135 1.00 45.11 C ATOM 1899 O GLU A 116 -27.983 0.894 6.165 1.00 53.53 O ATOM 1900 CB GLU A 116 -25.617 1.990 4.074 1.00 4.41 C ATOM 1901 CG GLU A 116 -25.309 2.852 2.861 1.00 72.01 C ATOM 1902 CD GLU A 116 -26.393 2.777 1.803 1.00 43.34 C ATOM 1903 OE1 GLU A 116 -27.576 2.636 2.175 1.00 33.14 O ATOM 1904 OE2 GLU A 116 -26.058 2.860 0.603 1.00 65.23 O ATOM 0 H GLU A 116 -25.418 4.163 5.238 1.00 14.31 H new ATOM 0 HA GLU A 116 -27.648 2.627 4.372 1.00 4.54 H new ATOM 0 HB2 GLU A 116 -24.712 1.881 4.671 1.00 4.41 H new ATOM 0 HB3 GLU A 116 -25.899 0.992 3.738 1.00 4.41 H new ATOM 0 HG2 GLU A 116 -25.186 3.888 3.177 1.00 72.01 H new ATOM 0 HG3 GLU A 116 -24.360 2.537 2.427 1.00 72.01 H new ATOM 1911 N ILE A 117 -26.073 1.628 7.101 1.00 23.43 N ATOM 1912 CA ILE A 117 -26.197 0.779 8.280 1.00 62.12 C ATOM 1913 C ILE A 117 -27.398 1.186 9.126 1.00 32.32 C ATOM 1914 O ILE A 117 -28.142 0.336 9.618 1.00 11.41 O ATOM 1915 CB ILE A 117 -24.927 0.835 9.150 1.00 34.10 C ATOM 1916 CG1 ILE A 117 -24.705 -0.506 9.852 1.00 24.13 C ATOM 1917 CG2 ILE A 117 -25.032 1.961 10.168 1.00 71.03 C ATOM 1918 CD1 ILE A 117 -23.273 -0.991 9.789 1.00 51.02 C ATOM 0 H ILE A 117 -25.241 2.217 7.091 1.00 23.43 H new ATOM 0 HA ILE A 117 -26.337 -0.241 7.922 1.00 62.12 H new ATOM 0 HB ILE A 117 -24.071 1.033 8.505 1.00 34.10 H new ATOM 0 HG12 ILE A 117 -25.003 -0.414 10.896 1.00 24.13 H new ATOM 0 HG13 ILE A 117 -25.354 -1.256 9.400 1.00 24.13 H new ATOM 0 HG21 ILE A 117 -24.127 1.988 10.775 1.00 71.03 H new ATOM 0 HG22 ILE A 117 -25.148 2.912 9.648 1.00 71.03 H new ATOM 0 HG23 ILE A 117 -25.896 1.791 10.811 1.00 71.03 H new ATOM 0 HD11 ILE A 117 -23.189 -1.947 10.307 1.00 51.02 H new ATOM 0 HD12 ILE A 117 -22.976 -1.115 8.748 1.00 51.02 H new ATOM 0 HD13 ILE A 117 -22.620 -0.261 10.267 1.00 51.02 H new ATOM 1930 N THR A 118 -27.584 2.492 9.291 1.00 20.23 N ATOM 1931 CA THR A 118 -28.695 3.012 10.077 1.00 13.43 C ATOM 1932 C THR A 118 -30.029 2.741 9.391 1.00 50.12 C ATOM 1933 O THR A 118 -31.007 2.370 10.039 1.00 74.31 O ATOM 1934 CB THR A 118 -28.553 4.527 10.317 1.00 40.32 C ATOM 1935 OG1 THR A 118 -28.620 5.229 9.070 1.00 23.23 O ATOM 1936 CG2 THR A 118 -27.238 4.844 11.013 1.00 60.10 C ATOM 0 H THR A 118 -26.979 3.209 8.890 1.00 20.23 H new ATOM 0 HA THR A 118 -28.672 2.496 11.037 1.00 13.43 H new ATOM 0 HB THR A 118 -29.373 4.849 10.959 1.00 40.32 H new ATOM 0 HG1 THR A 118 -29.379 5.849 9.084 1.00 23.23 H new ATOM 0 HG21 THR A 118 -27.160 5.920 11.172 1.00 60.10 H new ATOM 0 HG22 THR A 118 -27.203 4.332 11.975 1.00 60.10 H new ATOM 0 HG23 THR A 118 -26.407 4.508 10.392 1.00 60.10 H new ATOM 1944 N SER A 119 -30.061 2.928 8.075 1.00 10.22 N ATOM 1945 CA SER A 119 -31.277 2.706 7.301 1.00 44.41 C ATOM 1946 C SER A 119 -31.648 1.227 7.285 1.00 62.45 C ATOM 1947 O SER A 119 -32.822 0.868 7.377 1.00 51.24 O ATOM 1948 CB SER A 119 -31.094 3.214 5.869 1.00 33.02 C ATOM 1949 OG SER A 119 -32.199 2.857 5.057 1.00 71.41 O ATOM 0 H SER A 119 -29.259 3.233 7.523 1.00 10.22 H new ATOM 0 HA SER A 119 -32.087 3.260 7.775 1.00 44.41 H new ATOM 0 HB2 SER A 119 -30.979 4.298 5.876 1.00 33.02 H new ATOM 0 HB3 SER A 119 -30.179 2.799 5.447 1.00 33.02 H new ATOM 0 HG SER A 119 -32.059 3.194 4.148 1.00 71.41 H new ATOM 1955 N PHE A 120 -30.638 0.371 7.167 1.00 42.15 N ATOM 1956 CA PHE A 120 -30.856 -1.070 7.137 1.00 74.41 C ATOM 1957 C PHE A 120 -31.368 -1.571 8.484 1.00 14.34 C ATOM 1958 O PHE A 120 -32.340 -2.325 8.552 1.00 5.02 O ATOM 1959 CB PHE A 120 -29.561 -1.797 6.769 1.00 2.32 C ATOM 1960 CG PHE A 120 -29.769 -2.964 5.847 1.00 42.42 C ATOM 1961 CD1 PHE A 120 -30.146 -4.200 6.346 1.00 13.31 C ATOM 1962 CD2 PHE A 120 -29.586 -2.825 4.480 1.00 12.43 C ATOM 1963 CE1 PHE A 120 -30.339 -5.276 5.500 1.00 1.40 C ATOM 1964 CE2 PHE A 120 -29.778 -3.897 3.629 1.00 3.34 C ATOM 1965 CZ PHE A 120 -30.153 -5.124 4.140 1.00 53.01 C ATOM 0 H PHE A 120 -29.660 0.651 7.091 1.00 42.15 H new ATOM 0 HA PHE A 120 -31.611 -1.281 6.379 1.00 74.41 H new ATOM 0 HB2 PHE A 120 -28.878 -1.090 6.298 1.00 2.32 H new ATOM 0 HB3 PHE A 120 -29.078 -2.147 7.682 1.00 2.32 H new ATOM 0 HD1 PHE A 120 -30.291 -4.324 7.409 1.00 13.31 H new ATOM 0 HD2 PHE A 120 -29.290 -1.868 4.075 1.00 12.43 H new ATOM 0 HE1 PHE A 120 -30.635 -6.234 5.902 1.00 1.40 H new ATOM 0 HE2 PHE A 120 -29.635 -3.775 2.565 1.00 3.34 H new ATOM 0 HZ PHE A 120 -30.301 -5.964 3.477 1.00 53.01 H new ATOM 1975 N THR A 121 -30.707 -1.146 9.557 1.00 54.42 N ATOM 1976 CA THR A 121 -31.093 -1.551 10.903 1.00 50.34 C ATOM 1977 C THR A 121 -32.469 -1.005 11.268 1.00 22.30 C ATOM 1978 O THR A 121 -33.271 -1.693 11.898 1.00 33.40 O ATOM 1979 CB THR A 121 -30.069 -1.072 11.949 1.00 41.53 C ATOM 1980 OG1 THR A 121 -29.839 0.334 11.801 1.00 14.24 O ATOM 1981 CG2 THR A 121 -28.754 -1.823 11.803 1.00 74.21 C ATOM 0 H THR A 121 -29.902 -0.521 9.519 1.00 54.42 H new ATOM 0 HA THR A 121 -31.124 -2.641 10.909 1.00 50.34 H new ATOM 0 HB THR A 121 -30.475 -1.272 12.940 1.00 41.53 H new ATOM 0 HG1 THR A 121 -29.211 0.487 11.064 1.00 14.24 H new ATOM 0 HG21 THR A 121 -28.047 -1.467 12.552 1.00 74.21 H new ATOM 0 HG22 THR A 121 -28.927 -2.890 11.944 1.00 74.21 H new ATOM 0 HG23 THR A 121 -28.345 -1.650 10.807 1.00 74.21 H new ATOM 1989 N GLN A 122 -32.734 0.234 10.868 1.00 52.10 N ATOM 1990 CA GLN A 122 -34.014 0.871 11.154 1.00 33.02 C ATOM 1991 C GLN A 122 -35.152 0.152 10.437 1.00 14.14 C ATOM 1992 O GLN A 122 -36.187 -0.140 11.035 1.00 75.40 O ATOM 1993 CB GLN A 122 -33.981 2.342 10.736 1.00 62.00 C ATOM 1994 CG GLN A 122 -35.225 3.117 11.138 1.00 53.15 C ATOM 1995 CD GLN A 122 -35.034 4.618 11.042 1.00 30.03 C ATOM 1996 OE1 GLN A 122 -34.983 5.181 9.948 1.00 20.32 O ATOM 1997 NE2 GLN A 122 -34.927 5.276 12.191 1.00 32.50 N ATOM 0 H GLN A 122 -32.080 0.817 10.345 1.00 52.10 H new ATOM 0 HA GLN A 122 -34.189 0.810 12.228 1.00 33.02 H new ATOM 0 HB2 GLN A 122 -33.107 2.818 11.181 1.00 62.00 H new ATOM 0 HB3 GLN A 122 -33.860 2.401 9.654 1.00 62.00 H new ATOM 0 HG2 GLN A 122 -36.056 2.819 10.499 1.00 53.15 H new ATOM 0 HG3 GLN A 122 -35.498 2.854 12.160 1.00 53.15 H new ATOM 0 HE21 GLN A 122 -34.975 4.770 13.075 1.00 32.50 H new ATOM 0 HE22 GLN A 122 -34.797 6.288 12.189 1.00 32.50 H new ATOM 2006 N GLU A 123 -34.953 -0.129 9.154 1.00 62.15 N ATOM 2007 CA GLU A 123 -35.964 -0.813 8.356 1.00 41.22 C ATOM 2008 C GLU A 123 -36.156 -2.249 8.836 1.00 53.43 C ATOM 2009 O GLU A 123 -37.284 -2.724 8.972 1.00 64.45 O ATOM 2010 CB GLU A 123 -35.569 -0.806 6.877 1.00 34.24 C ATOM 2011 CG GLU A 123 -34.816 -2.052 6.443 1.00 62.00 C ATOM 2012 CD GLU A 123 -34.526 -2.069 4.955 1.00 64.03 C ATOM 2013 OE1 GLU A 123 -35.488 -2.142 4.163 1.00 52.22 O ATOM 2014 OE2 GLU A 123 -33.335 -2.009 4.582 1.00 21.34 O ATOM 0 H GLU A 123 -34.101 0.106 8.644 1.00 62.15 H new ATOM 0 HA GLU A 123 -36.907 -0.279 8.475 1.00 41.22 H new ATOM 0 HB2 GLU A 123 -36.469 -0.705 6.270 1.00 34.24 H new ATOM 0 HB3 GLU A 123 -34.951 0.070 6.679 1.00 34.24 H new ATOM 0 HG2 GLU A 123 -33.877 -2.115 6.993 1.00 62.00 H new ATOM 0 HG3 GLU A 123 -35.399 -2.935 6.706 1.00 62.00 H new ATOM 2021 N LYS A 124 -35.047 -2.934 9.091 1.00 72.54 N ATOM 2022 CA LYS A 124 -35.091 -4.316 9.556 1.00 11.40 C ATOM 2023 C LYS A 124 -35.604 -4.390 10.991 1.00 62.23 C ATOM 2024 O LYS A 124 -36.260 -5.358 11.377 1.00 74.34 O ATOM 2025 CB LYS A 124 -33.701 -4.950 9.466 1.00 34.11 C ATOM 2026 CG LYS A 124 -33.425 -5.623 8.133 1.00 72.13 C ATOM 2027 CD LYS A 124 -34.111 -6.976 8.038 1.00 4.13 C ATOM 2028 CE LYS A 124 -35.551 -6.839 7.569 1.00 31.34 C ATOM 2029 NZ LYS A 124 -35.903 -7.869 6.553 1.00 55.22 N ATOM 0 H LYS A 124 -34.106 -2.555 8.984 1.00 72.54 H new ATOM 0 HA LYS A 124 -35.777 -4.868 8.914 1.00 11.40 H new ATOM 0 HB2 LYS A 124 -32.948 -4.181 9.638 1.00 34.11 H new ATOM 0 HB3 LYS A 124 -33.594 -5.685 10.264 1.00 34.11 H new ATOM 0 HG2 LYS A 124 -33.770 -4.981 7.322 1.00 72.13 H new ATOM 0 HG3 LYS A 124 -32.350 -5.749 8.004 1.00 72.13 H new ATOM 0 HD2 LYS A 124 -33.562 -7.616 7.347 1.00 4.13 H new ATOM 0 HD3 LYS A 124 -34.089 -7.465 9.012 1.00 4.13 H new ATOM 0 HE2 LYS A 124 -36.221 -6.928 8.424 1.00 31.34 H new ATOM 0 HE3 LYS A 124 -35.703 -5.846 7.147 1.00 31.34 H new ATOM 0 HZ1 LYS A 124 -36.892 -7.742 6.258 1.00 55.22 H new ATOM 0 HZ2 LYS A 124 -35.280 -7.768 5.726 1.00 55.22 H new ATOM 0 HZ3 LYS A 124 -35.783 -8.817 6.964 1.00 55.22 H new ATOM 2043 N LEU A 125 -35.301 -3.363 11.776 1.00 14.53 N ATOM 2044 CA LEU A 125 -35.733 -3.311 13.169 1.00 52.12 C ATOM 2045 C LEU A 125 -37.255 -3.273 13.266 1.00 40.41 C ATOM 2046 O LEU A 125 -37.851 -3.948 14.106 1.00 45.15 O ATOM 2047 CB LEU A 125 -35.135 -2.086 13.864 1.00 75.24 C ATOM 2048 CG LEU A 125 -35.920 -1.543 15.058 1.00 11.41 C ATOM 2049 CD1 LEU A 125 -36.237 -2.659 16.041 1.00 2.44 C ATOM 2050 CD2 LEU A 125 -35.143 -0.429 15.745 1.00 42.04 C ATOM 0 H LEU A 125 -34.758 -2.555 11.472 1.00 14.53 H new ATOM 0 HA LEU A 125 -35.378 -4.213 13.668 1.00 52.12 H new ATOM 0 HB2 LEU A 125 -34.129 -2.339 14.200 1.00 75.24 H new ATOM 0 HB3 LEU A 125 -35.034 -1.289 13.128 1.00 75.24 H new ATOM 0 HG LEU A 125 -36.861 -1.131 14.693 1.00 11.41 H new ATOM 0 HD11 LEU A 125 -36.796 -2.253 16.884 1.00 2.44 H new ATOM 0 HD12 LEU A 125 -36.834 -3.423 15.544 1.00 2.44 H new ATOM 0 HD13 LEU A 125 -35.308 -3.102 16.401 1.00 2.44 H new ATOM 0 HD21 LEU A 125 -35.717 -0.054 16.593 1.00 42.04 H new ATOM 0 HD22 LEU A 125 -34.187 -0.816 16.097 1.00 42.04 H new ATOM 0 HD23 LEU A 125 -34.968 0.382 15.038 1.00 42.04 H new ATOM 2062 N ASP A 126 -37.878 -2.480 12.401 1.00 61.34 N ATOM 2063 CA ASP A 126 -39.331 -2.356 12.386 1.00 21.43 C ATOM 2064 C ASP A 126 -39.989 -3.708 12.125 1.00 40.53 C ATOM 2065 O ASP A 126 -41.023 -4.028 12.710 1.00 60.04 O ATOM 2066 CB ASP A 126 -39.768 -1.348 11.323 1.00 43.14 C ATOM 2067 CG ASP A 126 -38.912 -0.097 11.325 1.00 2.51 C ATOM 2068 OD1 ASP A 126 -38.646 0.438 12.422 1.00 62.41 O ATOM 2069 OD2 ASP A 126 -38.509 0.349 10.230 1.00 3.21 O ATOM 0 H ASP A 126 -37.399 -1.913 11.701 1.00 61.34 H new ATOM 0 HA ASP A 126 -39.650 -2.000 13.365 1.00 21.43 H new ATOM 0 HB2 ASP A 126 -39.719 -1.817 10.340 1.00 43.14 H new ATOM 0 HB3 ASP A 126 -40.809 -1.073 11.493 1.00 43.14 H new ATOM 2074 N GLU A 127 -39.382 -4.494 11.241 1.00 35.44 N ATOM 2075 CA GLU A 127 -39.912 -5.810 10.901 1.00 24.04 C ATOM 2076 C GLU A 127 -39.919 -6.725 12.122 1.00 34.44 C ATOM 2077 O GLU A 127 -40.827 -7.538 12.297 1.00 74.42 O ATOM 2078 CB GLU A 127 -39.084 -6.443 9.781 1.00 21.20 C ATOM 2079 CG GLU A 127 -38.749 -5.481 8.654 1.00 70.24 C ATOM 2080 CD GLU A 127 -39.255 -5.961 7.307 1.00 31.52 C ATOM 2081 OE1 GLU A 127 -39.399 -7.189 7.130 1.00 31.14 O ATOM 2082 OE2 GLU A 127 -39.507 -5.109 6.430 1.00 15.44 O ATOM 0 H GLU A 127 -38.525 -4.243 10.748 1.00 35.44 H new ATOM 0 HA GLU A 127 -40.939 -5.683 10.557 1.00 24.04 H new ATOM 0 HB2 GLU A 127 -38.157 -6.833 10.202 1.00 21.20 H new ATOM 0 HB3 GLU A 127 -39.631 -7.292 9.372 1.00 21.20 H new ATOM 0 HG2 GLU A 127 -39.182 -4.505 8.874 1.00 70.24 H new ATOM 0 HG3 GLU A 127 -37.668 -5.347 8.605 1.00 70.24 H new ATOM 2089 N PHE A 128 -38.901 -6.587 12.965 1.00 61.24 N ATOM 2090 CA PHE A 128 -38.789 -7.402 14.169 1.00 64.12 C ATOM 2091 C PHE A 128 -40.104 -7.413 14.943 1.00 63.04 C ATOM 2092 O PHE A 128 -40.743 -8.455 15.084 1.00 52.12 O ATOM 2093 CB PHE A 128 -37.663 -6.878 15.062 1.00 5.50 C ATOM 2094 CG PHE A 128 -36.334 -6.795 14.366 1.00 72.22 C ATOM 2095 CD1 PHE A 128 -36.165 -7.337 13.102 1.00 62.11 C ATOM 2096 CD2 PHE A 128 -35.255 -6.175 14.975 1.00 71.40 C ATOM 2097 CE1 PHE A 128 -34.943 -7.263 12.460 1.00 73.44 C ATOM 2098 CE2 PHE A 128 -34.031 -6.098 14.337 1.00 31.23 C ATOM 2099 CZ PHE A 128 -33.876 -6.642 13.077 1.00 25.14 C ATOM 0 H PHE A 128 -38.142 -5.918 12.836 1.00 61.24 H new ATOM 0 HA PHE A 128 -38.558 -8.423 13.866 1.00 64.12 H new ATOM 0 HB2 PHE A 128 -37.933 -5.888 15.431 1.00 5.50 H new ATOM 0 HB3 PHE A 128 -37.568 -7.527 15.932 1.00 5.50 H new ATOM 0 HD1 PHE A 128 -36.997 -7.822 12.613 1.00 62.11 H new ATOM 0 HD2 PHE A 128 -35.371 -5.747 15.960 1.00 71.40 H new ATOM 0 HE1 PHE A 128 -34.823 -7.691 11.476 1.00 73.44 H new ATOM 0 HE2 PHE A 128 -33.197 -5.613 14.823 1.00 31.23 H new ATOM 0 HZ PHE A 128 -32.921 -6.582 12.575 1.00 25.14 H new