USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 897 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 TYR OH : rot 30:sc= 0.797 USER MOD Set 1.2: A 118 THR OG1 : rot 124:sc= 0.82 USER MOD Set 2.1: A 90 MET CE :methyl -160:sc= -0.0444 (180deg=-0.251) USER MOD Set 2.2: A 93 GLN : amide:sc= -0.933 X(o=-0.98,f=-0.96) USER MOD Set 3.1: A 71 THR OG1 : rot 135:sc= 1.2 USER MOD Set 3.2: A 77 THR OG1 : rot 170:sc= 0.556 USER MOD Set 4.1: A 63 SER OG : rot -6:sc= 0.775 USER MOD Set 4.2: A 87 GLN : amide:sc= -0.693 K(o=0.082,f=-0.47!) USER MOD Single : A 10 GLN : amide:sc= -0.0712 X(o=-0.071,f=-0.071) USER MOD Single : A 11 TYR OH : rot -91:sc= 0.101 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0962 K(o=-0.096,f=-0.78) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.778 K(o=0.78,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -172:sc= -1.38 (180deg=-1.46) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -68:sc= 1.16 USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -175:sc= -0.916 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.543 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HE2:sc= -0.0986 F(o=-0.66,f=-0.099) USER MOD Single : A 70 MET CE :methyl -134:sc= -6.15! (180deg=-9.22!) USER MOD Single : A 73 MET CE :methyl -133:sc= -1.89 (180deg=-4.67!) USER MOD Single : A 74 TYR OH : rot -3:sc= 0.788 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 88 ASN : amide:sc= -9! C(o=-9!,f=-9.5!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0169 K(o=-0.017,f=-1.3) USER MOD Single : A 96 MET CE :methyl 168:sc= 0 (180deg=-0.164) 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+ 153:sc= -0.0985 (180deg=-0.665) USER MOD Single : A 105 HIS : no HE2:sc= -2.01 K(o=-2,f=-4.2) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot -18:sc= 0.214 USER MOD Single : A 108 SER OG : rot 88:sc= 0.539 USER MOD Single : A 111 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.2) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -76:sc= -0.57 USER MOD Single : A 122 GLN : amide:sc= -0.25 K(o=-0.25,f=-0.82) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N LEU A 8 -3.593 10.672 4.110 1.00 12.31 N ATOM 110 CA LEU A 8 -4.738 10.319 4.943 1.00 62.02 C ATOM 111 C LEU A 8 -5.648 11.524 5.157 1.00 2.13 C ATOM 112 O LEU A 8 -6.841 11.374 5.420 1.00 53.44 O ATOM 113 CB LEU A 8 -4.264 9.777 6.292 1.00 24.13 C ATOM 114 CG LEU A 8 -3.533 8.434 6.257 1.00 33.00 C ATOM 115 CD1 LEU A 8 -3.334 7.898 7.666 1.00 31.51 C ATOM 116 CD2 LEU A 8 -4.300 7.432 5.406 1.00 32.04 C ATOM 0 HA LEU A 8 -5.307 9.545 4.427 1.00 62.02 H new ATOM 0 HB2 LEU A 8 -3.603 10.516 6.746 1.00 24.13 H new ATOM 0 HB3 LEU A 8 -5.130 9.679 6.946 1.00 24.13 H new ATOM 0 HG LEU A 8 -2.552 8.587 5.807 1.00 33.00 H new ATOM 0 HD11 LEU A 8 -2.812 6.942 7.621 1.00 31.51 H new ATOM 0 HD12 LEU A 8 -2.743 8.607 8.245 1.00 31.51 H new ATOM 0 HD13 LEU A 8 -4.304 7.760 8.143 1.00 31.51 H new ATOM 0 HD21 LEU A 8 -3.766 6.482 5.392 1.00 32.04 H new ATOM 0 HD22 LEU A 8 -5.294 7.283 5.827 1.00 32.04 H new ATOM 0 HD23 LEU A 8 -4.390 7.812 4.389 1.00 32.04 H new ATOM 128 N ASP A 9 -5.077 12.718 5.042 1.00 23.01 N ATOM 129 CA ASP A 9 -5.837 13.950 5.220 1.00 20.41 C ATOM 130 C ASP A 9 -7.043 13.983 4.287 1.00 52.42 C ATOM 131 O ASP A 9 -8.070 14.581 4.607 1.00 73.10 O ATOM 132 CB ASP A 9 -4.945 15.166 4.966 1.00 72.15 C ATOM 133 CG ASP A 9 -4.757 16.016 6.207 1.00 72.13 C ATOM 134 OD1 ASP A 9 -5.750 16.235 6.932 1.00 51.51 O ATOM 135 OD2 ASP A 9 -3.617 16.461 6.453 1.00 21.24 O ATOM 0 H ASP A 9 -4.090 12.859 4.826 1.00 23.01 H new ATOM 0 HA ASP A 9 -6.196 13.982 6.249 1.00 20.41 H new ATOM 0 HB2 ASP A 9 -3.972 14.830 4.608 1.00 72.15 H new ATOM 0 HB3 ASP A 9 -5.383 15.775 4.175 1.00 72.15 H new ATOM 140 N GLN A 10 -6.910 13.339 3.132 1.00 44.10 N ATOM 141 CA GLN A 10 -7.988 13.298 2.152 1.00 74.52 C ATOM 142 C GLN A 10 -9.172 12.492 2.678 1.00 5.14 C ATOM 143 O GLN A 10 -10.327 12.820 2.410 1.00 55.31 O ATOM 144 CB GLN A 10 -7.489 12.693 0.838 1.00 12.51 C ATOM 145 CG GLN A 10 -6.250 13.379 0.285 1.00 15.40 C ATOM 146 CD GLN A 10 -6.434 14.876 0.126 1.00 21.20 C ATOM 147 OE1 GLN A 10 -7.206 15.332 -0.717 1.00 53.15 O ATOM 148 NE2 GLN A 10 -5.723 15.649 0.938 1.00 10.33 N ATOM 0 H GLN A 10 -6.066 12.839 2.852 1.00 44.10 H new ATOM 0 HA GLN A 10 -8.319 14.321 1.971 1.00 74.52 H new ATOM 0 HB2 GLN A 10 -7.270 11.637 0.994 1.00 12.51 H new ATOM 0 HB3 GLN A 10 -8.286 12.748 0.097 1.00 12.51 H new ATOM 0 HG2 GLN A 10 -5.407 13.189 0.949 1.00 15.40 H new ATOM 0 HG3 GLN A 10 -5.999 12.943 -0.682 1.00 15.40 H new ATOM 0 HE21 GLN A 10 -5.095 15.228 1.623 1.00 10.33 H new ATOM 0 HE22 GLN A 10 -5.805 16.664 0.877 1.00 10.33 H new ATOM 157 N TYR A 11 -8.875 11.437 3.429 1.00 72.34 N ATOM 158 CA TYR A 11 -9.915 10.582 3.991 1.00 44.43 C ATOM 159 C TYR A 11 -10.738 11.338 5.029 1.00 21.35 C ATOM 160 O TYR A 11 -11.912 11.037 5.245 1.00 13.54 O ATOM 161 CB TYR A 11 -9.293 9.337 4.624 1.00 61.40 C ATOM 162 CG TYR A 11 -8.650 8.405 3.622 1.00 63.31 C ATOM 163 CD1 TYR A 11 -9.328 8.012 2.474 1.00 22.04 C ATOM 164 CD2 TYR A 11 -7.365 7.916 3.823 1.00 43.22 C ATOM 165 CE1 TYR A 11 -8.745 7.160 1.556 1.00 5.23 C ATOM 166 CE2 TYR A 11 -6.773 7.065 2.910 1.00 50.35 C ATOM 167 CZ TYR A 11 -7.467 6.690 1.778 1.00 1.11 C ATOM 168 OH TYR A 11 -6.882 5.841 0.867 1.00 44.44 O ATOM 0 H TYR A 11 -7.924 11.153 3.663 1.00 72.34 H new ATOM 0 HA TYR A 11 -10.577 10.277 3.181 1.00 44.43 H new ATOM 0 HB2 TYR A 11 -8.544 9.646 5.353 1.00 61.40 H new ATOM 0 HB3 TYR A 11 -10.064 8.794 5.170 1.00 61.40 H new ATOM 0 HD1 TYR A 11 -10.328 8.379 2.297 1.00 22.04 H new ATOM 0 HD2 TYR A 11 -6.819 8.206 4.709 1.00 43.22 H new ATOM 0 HE1 TYR A 11 -9.286 6.864 0.670 1.00 5.23 H new ATOM 0 HE2 TYR A 11 -5.773 6.695 3.081 1.00 50.35 H new ATOM 0 HH TYR A 11 -7.075 4.913 1.114 1.00 44.44 H new ATOM 178 N TYR A 12 -10.113 12.320 5.669 1.00 32.14 N ATOM 179 CA TYR A 12 -10.786 13.118 6.687 1.00 0.41 C ATOM 180 C TYR A 12 -12.009 13.822 6.107 1.00 33.32 C ATOM 181 O TYR A 12 -13.048 13.921 6.759 1.00 73.30 O ATOM 182 CB TYR A 12 -9.822 14.150 7.276 1.00 60.14 C ATOM 183 CG TYR A 12 -9.238 13.741 8.609 1.00 1.20 C ATOM 184 CD1 TYR A 12 -10.042 13.205 9.607 1.00 21.11 C ATOM 185 CD2 TYR A 12 -7.881 13.891 8.870 1.00 33.52 C ATOM 186 CE1 TYR A 12 -9.512 12.831 10.827 1.00 54.00 C ATOM 187 CE2 TYR A 12 -7.343 13.518 10.087 1.00 62.13 C ATOM 188 CZ TYR A 12 -8.162 12.989 11.062 1.00 55.21 C ATOM 189 OH TYR A 12 -7.631 12.617 12.275 1.00 20.53 O ATOM 0 H TYR A 12 -9.142 12.582 5.501 1.00 32.14 H new ATOM 0 HA TYR A 12 -11.117 12.446 7.479 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -9.009 14.320 6.570 1.00 60.14 H new ATOM 0 HB3 TYR A 12 -10.346 15.098 7.394 1.00 60.14 H new ATOM 0 HD1 TYR A 12 -11.099 13.078 9.426 1.00 21.11 H new ATOM 0 HD2 TYR A 12 -7.236 14.306 8.109 1.00 33.52 H new ATOM 0 HE1 TYR A 12 -10.151 12.417 11.593 1.00 54.00 H new ATOM 0 HE2 TYR A 12 -6.286 13.640 10.274 1.00 62.13 H new ATOM 0 HH TYR A 12 -6.667 12.793 12.278 1.00 20.53 H new ATOM 199 N GLU A 13 -11.877 14.308 4.877 1.00 24.10 N ATOM 200 CA GLU A 13 -12.971 15.002 4.209 1.00 43.34 C ATOM 201 C GLU A 13 -14.195 14.099 4.088 1.00 51.50 C ATOM 202 O GLU A 13 -15.322 14.527 4.342 1.00 63.14 O ATOM 203 CB GLU A 13 -12.533 15.474 2.821 1.00 44.05 C ATOM 204 CG GLU A 13 -11.263 16.309 2.834 1.00 13.21 C ATOM 205 CD GLU A 13 -11.496 17.731 2.361 1.00 4.23 C ATOM 206 OE1 GLU A 13 -11.956 18.559 3.174 1.00 14.51 O ATOM 207 OE2 GLU A 13 -11.216 18.015 1.178 1.00 40.33 O ATOM 0 H GLU A 13 -11.024 14.234 4.323 1.00 24.10 H new ATOM 0 HA GLU A 13 -13.239 15.869 4.812 1.00 43.34 H new ATOM 0 HB2 GLU A 13 -12.379 14.604 2.183 1.00 44.05 H new ATOM 0 HB3 GLU A 13 -13.337 16.059 2.375 1.00 44.05 H new ATOM 0 HG2 GLU A 13 -10.855 16.328 3.845 1.00 13.21 H new ATOM 0 HG3 GLU A 13 -10.515 15.836 2.198 1.00 13.21 H new ATOM 214 N ILE A 14 -13.965 12.850 3.699 1.00 54.03 N ATOM 215 CA ILE A 14 -15.049 11.887 3.545 1.00 63.01 C ATOM 216 C ILE A 14 -15.680 11.551 4.891 1.00 35.53 C ATOM 217 O ILE A 14 -16.903 11.562 5.034 1.00 62.01 O ATOM 218 CB ILE A 14 -14.556 10.587 2.882 1.00 32.24 C ATOM 219 CG1 ILE A 14 -14.194 10.840 1.418 1.00 51.44 C ATOM 220 CG2 ILE A 14 -15.617 9.502 2.991 1.00 14.02 C ATOM 221 CD1 ILE A 14 -12.730 11.152 1.202 1.00 3.54 C ATOM 0 H ILE A 14 -13.039 12.481 3.485 1.00 54.03 H new ATOM 0 HA ILE A 14 -15.797 12.352 2.902 1.00 63.01 H new ATOM 0 HB ILE A 14 -13.661 10.247 3.404 1.00 32.24 H new ATOM 0 HG12 ILE A 14 -14.461 9.962 0.829 1.00 51.44 H new ATOM 0 HG13 ILE A 14 -14.793 11.670 1.042 1.00 51.44 H new ATOM 0 HG21 ILE A 14 -15.254 8.589 2.518 1.00 14.02 H new ATOM 0 HG22 ILE A 14 -15.830 9.306 4.042 1.00 14.02 H new ATOM 0 HG23 ILE A 14 -16.528 9.832 2.491 1.00 14.02 H new ATOM 0 HD11 ILE A 14 -12.547 11.320 0.141 1.00 3.54 H new ATOM 0 HD12 ILE A 14 -12.462 12.048 1.763 1.00 3.54 H new ATOM 0 HD13 ILE A 14 -12.125 10.314 1.547 1.00 3.54 H new ATOM 233 N GLN A 15 -14.839 11.253 5.876 1.00 2.20 N ATOM 234 CA GLN A 15 -15.316 10.915 7.212 1.00 65.22 C ATOM 235 C GLN A 15 -16.162 12.044 7.790 1.00 73.11 C ATOM 236 O GLN A 15 -17.242 11.808 8.332 1.00 35.43 O ATOM 237 CB GLN A 15 -14.135 10.621 8.139 1.00 45.15 C ATOM 238 CG GLN A 15 -13.223 9.516 7.631 1.00 63.15 C ATOM 239 CD GLN A 15 -11.867 9.520 8.309 1.00 41.13 C ATOM 240 OE1 GLN A 15 -11.680 10.160 9.344 1.00 45.33 O ATOM 241 NE2 GLN A 15 -10.912 8.803 7.728 1.00 41.44 N ATOM 0 H GLN A 15 -13.824 11.239 5.774 1.00 2.20 H new ATOM 0 HA GLN A 15 -15.938 10.023 7.133 1.00 65.22 H new ATOM 0 HB2 GLN A 15 -13.551 11.532 8.269 1.00 45.15 H new ATOM 0 HB3 GLN A 15 -14.516 10.343 9.122 1.00 45.15 H new ATOM 0 HG2 GLN A 15 -13.703 8.551 7.793 1.00 63.15 H new ATOM 0 HG3 GLN A 15 -13.087 9.628 6.555 1.00 63.15 H new ATOM 0 HE21 GLN A 15 -11.111 8.288 6.871 1.00 41.44 H new ATOM 0 HE22 GLN A 15 -9.979 8.768 8.139 1.00 41.44 H new ATOM 250 N CYS A 16 -15.665 13.270 7.671 1.00 71.12 N ATOM 251 CA CYS A 16 -16.376 14.436 8.183 1.00 42.21 C ATOM 252 C CYS A 16 -17.755 14.557 7.543 1.00 62.04 C ATOM 253 O CYS A 16 -18.747 14.809 8.225 1.00 42.20 O ATOM 254 CB CYS A 16 -15.566 15.707 7.923 1.00 52.42 C ATOM 255 SG CYS A 16 -16.033 17.107 8.968 1.00 34.21 S ATOM 0 H CYS A 16 -14.773 13.482 7.225 1.00 71.12 H new ATOM 0 HA CYS A 16 -16.505 14.309 9.258 1.00 42.21 H new ATOM 0 HB2 CYS A 16 -14.509 15.489 8.077 1.00 52.42 H new ATOM 0 HB3 CYS A 16 -15.684 15.993 6.878 1.00 52.42 H new ATOM 0 HG CYS A 16 -15.291 18.134 8.675 1.00 34.21 H new ATOM 261 N ASN A 17 -17.808 14.377 6.227 1.00 74.31 N ATOM 262 CA ASN A 17 -19.066 14.468 5.494 1.00 62.24 C ATOM 263 C ASN A 17 -20.076 13.451 6.017 1.00 64.21 C ATOM 264 O ASN A 17 -21.278 13.709 6.035 1.00 55.43 O ATOM 265 CB ASN A 17 -18.826 14.243 3.999 1.00 32.23 C ATOM 266 CG ASN A 17 -20.036 13.650 3.303 1.00 41.25 C ATOM 267 OD1 ASN A 17 -21.001 14.354 3.004 1.00 20.05 O ATOM 268 ND2 ASN A 17 -19.989 12.349 3.040 1.00 42.42 N ATOM 0 H ASN A 17 -16.996 14.168 5.647 1.00 74.31 H new ATOM 0 HA ASN A 17 -19.474 15.468 5.644 1.00 62.24 H new ATOM 0 HB2 ASN A 17 -18.568 15.192 3.528 1.00 32.23 H new ATOM 0 HB3 ASN A 17 -17.972 13.579 3.867 1.00 32.23 H new ATOM 0 HD21 ASN A 17 -20.773 11.895 2.572 1.00 42.42 H new ATOM 0 HD22 ASN A 17 -19.169 11.804 3.306 1.00 42.42 H new ATOM 275 N GLU A 18 -19.577 12.294 6.442 1.00 4.42 N ATOM 276 CA GLU A 18 -20.436 11.239 6.966 1.00 62.13 C ATOM 277 C GLU A 18 -21.129 11.688 8.249 1.00 71.12 C ATOM 278 O GLU A 18 -22.301 11.383 8.474 1.00 30.22 O ATOM 279 CB GLU A 18 -19.620 9.971 7.230 1.00 15.43 C ATOM 280 CG GLU A 18 -19.514 9.053 6.024 1.00 11.33 C ATOM 281 CD GLU A 18 -18.411 9.468 5.071 1.00 42.45 C ATOM 282 OE1 GLU A 18 -17.229 9.211 5.383 1.00 73.40 O ATOM 283 OE2 GLU A 18 -18.728 10.051 4.013 1.00 71.23 O ATOM 0 H GLU A 18 -18.583 12.064 6.434 1.00 4.42 H new ATOM 0 HA GLU A 18 -21.199 11.022 6.219 1.00 62.13 H new ATOM 0 HB2 GLU A 18 -18.617 10.254 7.549 1.00 15.43 H new ATOM 0 HB3 GLU A 18 -20.074 9.422 8.055 1.00 15.43 H new ATOM 0 HG2 GLU A 18 -19.332 8.033 6.363 1.00 11.33 H new ATOM 0 HG3 GLU A 18 -20.465 9.047 5.492 1.00 11.33 H new ATOM 290 N LEU A 19 -20.397 12.414 9.087 1.00 71.33 N ATOM 291 CA LEU A 19 -20.940 12.905 10.348 1.00 12.23 C ATOM 292 C LEU A 19 -22.089 13.879 10.104 1.00 22.22 C ATOM 293 O LEU A 19 -23.172 13.729 10.669 1.00 3.30 O ATOM 294 CB LEU A 19 -19.843 13.588 11.167 1.00 71.10 C ATOM 295 CG LEU A 19 -18.493 12.872 11.208 1.00 5.20 C ATOM 296 CD1 LEU A 19 -17.652 13.385 12.367 1.00 63.01 C ATOM 297 CD2 LEU A 19 -18.690 11.367 11.315 1.00 44.13 C ATOM 0 H LEU A 19 -19.426 12.675 8.916 1.00 71.33 H new ATOM 0 HA LEU A 19 -21.324 12.051 10.907 1.00 12.23 H new ATOM 0 HB2 LEU A 19 -19.688 14.590 10.766 1.00 71.10 H new ATOM 0 HB3 LEU A 19 -20.201 13.706 12.190 1.00 71.10 H new ATOM 0 HG LEU A 19 -17.963 13.084 10.279 1.00 5.20 H new ATOM 0 HD11 LEU A 19 -16.695 12.864 12.380 1.00 63.01 H new ATOM 0 HD12 LEU A 19 -17.481 14.455 12.247 1.00 63.01 H new ATOM 0 HD13 LEU A 19 -18.177 13.204 13.305 1.00 63.01 H new ATOM 0 HD21 LEU A 19 -17.718 10.874 11.343 1.00 44.13 H new ATOM 0 HD22 LEU A 19 -19.240 11.136 12.227 1.00 44.13 H new ATOM 0 HD23 LEU A 19 -19.253 11.011 10.452 1.00 44.13 H new ATOM 309 N GLU A 20 -21.844 14.874 9.258 1.00 53.33 N ATOM 310 CA GLU A 20 -22.859 15.871 8.938 1.00 15.13 C ATOM 311 C GLU A 20 -23.995 15.251 8.129 1.00 40.21 C ATOM 312 O GLU A 20 -25.156 15.629 8.279 1.00 54.21 O ATOM 313 CB GLU A 20 -22.238 17.033 8.159 1.00 33.55 C ATOM 314 CG GLU A 20 -21.263 16.590 7.082 1.00 40.03 C ATOM 315 CD GLU A 20 -20.863 17.723 6.156 1.00 73.50 C ATOM 316 OE1 GLU A 20 -20.782 18.875 6.630 1.00 24.04 O ATOM 317 OE2 GLU A 20 -20.633 17.457 4.958 1.00 45.01 O ATOM 0 H GLU A 20 -20.952 15.011 8.782 1.00 53.33 H new ATOM 0 HA GLU A 20 -23.268 16.249 9.875 1.00 15.13 H new ATOM 0 HB2 GLU A 20 -23.034 17.618 7.698 1.00 33.55 H new ATOM 0 HB3 GLU A 20 -21.721 17.692 8.856 1.00 33.55 H new ATOM 0 HG2 GLU A 20 -20.370 16.178 7.552 1.00 40.03 H new ATOM 0 HG3 GLU A 20 -21.714 15.789 6.496 1.00 40.03 H new ATOM 324 N ALA A 21 -23.650 14.297 7.270 1.00 4.44 N ATOM 325 CA ALA A 21 -24.639 13.624 6.438 1.00 22.22 C ATOM 326 C ALA A 21 -25.648 12.864 7.292 1.00 71.42 C ATOM 327 O ALA A 21 -26.858 13.010 7.117 1.00 52.32 O ATOM 328 CB ALA A 21 -23.953 12.680 5.462 1.00 25.53 C ATOM 0 H ALA A 21 -22.693 13.973 7.132 1.00 4.44 H new ATOM 0 HA ALA A 21 -25.180 14.383 5.873 1.00 22.22 H new ATOM 0 HB1 ALA A 21 -24.704 12.184 4.847 1.00 25.53 H new ATOM 0 HB2 ALA A 21 -23.276 13.247 4.822 1.00 25.53 H new ATOM 0 HB3 ALA A 21 -23.387 11.932 6.017 1.00 25.53 H new ATOM 334 N ILE A 22 -25.143 12.051 8.214 1.00 12.41 N ATOM 335 CA ILE A 22 -26.002 11.269 9.095 1.00 64.24 C ATOM 336 C ILE A 22 -26.633 12.147 10.170 1.00 62.22 C ATOM 337 O ILE A 22 -27.775 11.927 10.574 1.00 62.13 O ATOM 338 CB ILE A 22 -25.221 10.127 9.773 1.00 52.32 C ATOM 339 CG1 ILE A 22 -25.183 8.896 8.865 1.00 51.43 C ATOM 340 CG2 ILE A 22 -25.847 9.782 11.116 1.00 54.43 C ATOM 341 CD1 ILE A 22 -25.132 9.234 7.391 1.00 20.01 C ATOM 0 H ILE A 22 -24.144 11.917 8.370 1.00 12.41 H new ATOM 0 HA ILE A 22 -26.788 10.842 8.472 1.00 64.24 H new ATOM 0 HB ILE A 22 -24.197 10.459 9.946 1.00 52.32 H new ATOM 0 HG12 ILE A 22 -24.313 8.292 9.121 1.00 51.43 H new ATOM 0 HG13 ILE A 22 -26.064 8.284 9.059 1.00 51.43 H new ATOM 0 HG21 ILE A 22 -25.284 8.974 11.583 1.00 54.43 H new ATOM 0 HG22 ILE A 22 -25.827 10.659 11.763 1.00 54.43 H new ATOM 0 HG23 ILE A 22 -26.879 9.466 10.966 1.00 54.43 H new ATOM 0 HD11 ILE A 22 -25.107 8.314 6.807 1.00 20.01 H new ATOM 0 HD12 ILE A 22 -26.015 9.812 7.119 1.00 20.01 H new ATOM 0 HD13 ILE A 22 -24.237 9.820 7.183 1.00 20.01 H new ATOM 353 N ARG A 23 -25.882 13.143 10.628 1.00 13.30 N ATOM 354 CA ARG A 23 -26.368 14.056 11.656 1.00 34.41 C ATOM 355 C ARG A 23 -27.717 14.650 11.261 1.00 11.35 C ATOM 356 O ARG A 23 -28.580 14.876 12.110 1.00 23.33 O ATOM 357 CB ARG A 23 -25.355 15.176 11.894 1.00 2.41 C ATOM 358 CG ARG A 23 -24.308 14.838 12.943 1.00 42.13 C ATOM 359 CD ARG A 23 -23.133 15.802 12.888 1.00 12.44 C ATOM 360 NE ARG A 23 -22.652 16.155 14.222 1.00 74.14 N ATOM 361 CZ ARG A 23 -21.518 16.809 14.445 1.00 51.34 C ATOM 362 NH1 ARG A 23 -20.752 17.181 13.428 1.00 74.20 N ATOM 363 NH2 ARG A 23 -21.148 17.094 15.687 1.00 70.23 N ATOM 0 H ARG A 23 -24.935 13.338 10.304 1.00 13.30 H new ATOM 0 HA ARG A 23 -26.496 13.490 12.579 1.00 34.41 H new ATOM 0 HB2 ARG A 23 -24.854 15.407 10.954 1.00 2.41 H new ATOM 0 HB3 ARG A 23 -25.887 16.076 12.201 1.00 2.41 H new ATOM 0 HG2 ARG A 23 -24.761 14.870 13.934 1.00 42.13 H new ATOM 0 HG3 ARG A 23 -23.952 13.819 12.788 1.00 42.13 H new ATOM 0 HD2 ARG A 23 -22.321 15.352 12.317 1.00 12.44 H new ATOM 0 HD3 ARG A 23 -23.431 16.707 12.359 1.00 12.44 H new ATOM 0 HE ARG A 23 -23.218 15.884 15.026 1.00 74.14 H new ATOM 0 HH11 ARG A 23 -21.034 16.965 12.472 1.00 74.20 H new ATOM 0 HH12 ARG A 23 -19.881 17.683 13.602 1.00 74.20 H new ATOM 0 HH21 ARG A 23 -21.735 16.811 16.472 1.00 70.23 H new ATOM 0 HH22 ARG A 23 -20.277 17.596 15.857 1.00 70.23 H new ATOM 377 N SER A 24 -27.891 14.903 9.968 1.00 32.31 N ATOM 378 CA SER A 24 -29.133 15.475 9.461 1.00 1.34 C ATOM 379 C SER A 24 -30.286 14.487 9.607 1.00 60.24 C ATOM 380 O SER A 24 -31.437 14.882 9.794 1.00 41.42 O ATOM 381 CB SER A 24 -28.972 15.877 7.994 1.00 54.10 C ATOM 382 OG SER A 24 -29.310 17.239 7.798 1.00 15.33 O ATOM 0 H SER A 24 -27.188 14.721 9.252 1.00 32.31 H new ATOM 0 HA SER A 24 -29.363 16.363 10.050 1.00 1.34 H new ATOM 0 HB2 SER A 24 -27.943 15.705 7.678 1.00 54.10 H new ATOM 0 HB3 SER A 24 -29.607 15.248 7.370 1.00 54.10 H new ATOM 0 HG SER A 24 -29.197 17.471 6.853 1.00 15.33 H new ATOM 388 N ILE A 25 -29.968 13.200 9.519 1.00 71.33 N ATOM 389 CA ILE A 25 -30.976 12.154 9.641 1.00 13.32 C ATOM 390 C ILE A 25 -31.313 11.884 11.104 1.00 70.13 C ATOM 391 O ILE A 25 -32.483 11.770 11.472 1.00 65.25 O ATOM 392 CB ILE A 25 -30.510 10.843 8.983 1.00 71.55 C ATOM 393 CG1 ILE A 25 -30.190 11.074 7.504 1.00 4.45 C ATOM 394 CG2 ILE A 25 -31.573 9.765 9.137 1.00 52.31 C ATOM 395 CD1 ILE A 25 -28.883 10.451 7.064 1.00 15.04 C ATOM 0 H ILE A 25 -29.020 12.856 9.364 1.00 71.33 H new ATOM 0 HA ILE A 25 -31.867 12.513 9.125 1.00 13.32 H new ATOM 0 HB ILE A 25 -29.603 10.506 9.484 1.00 71.55 H new ATOM 0 HG12 ILE A 25 -30.999 10.667 6.898 1.00 4.45 H new ATOM 0 HG13 ILE A 25 -30.155 12.146 7.311 1.00 4.45 H new ATOM 0 HG21 ILE A 25 -31.228 8.844 8.666 1.00 52.31 H new ATOM 0 HG22 ILE A 25 -31.757 9.584 10.196 1.00 52.31 H new ATOM 0 HG23 ILE A 25 -32.496 10.093 8.659 1.00 52.31 H new ATOM 0 HD11 ILE A 25 -28.721 10.655 6.005 1.00 15.04 H new ATOM 0 HD12 ILE A 25 -28.064 10.875 7.645 1.00 15.04 H new ATOM 0 HD13 ILE A 25 -28.921 9.374 7.225 1.00 15.04 H new ATOM 407 N TYR A 26 -30.281 11.784 11.934 1.00 41.21 N ATOM 408 CA TYR A 26 -30.467 11.527 13.357 1.00 63.21 C ATOM 409 C TYR A 26 -30.115 12.760 14.184 1.00 22.51 C ATOM 410 O TYR A 26 -29.446 12.660 15.212 1.00 2.42 O ATOM 411 CB TYR A 26 -29.608 10.340 13.798 1.00 1.54 C ATOM 412 CG TYR A 26 -29.820 9.096 12.965 1.00 4.55 C ATOM 413 CD1 TYR A 26 -31.098 8.677 12.619 1.00 12.34 C ATOM 414 CD2 TYR A 26 -28.740 8.341 12.524 1.00 74.23 C ATOM 415 CE1 TYR A 26 -31.296 7.541 11.859 1.00 30.03 C ATOM 416 CE2 TYR A 26 -28.929 7.204 11.762 1.00 62.22 C ATOM 417 CZ TYR A 26 -30.208 6.808 11.433 1.00 74.23 C ATOM 418 OH TYR A 26 -30.401 5.676 10.674 1.00 12.01 O ATOM 0 H TYR A 26 -29.307 11.877 11.646 1.00 41.21 H new ATOM 0 HA TYR A 26 -31.518 11.289 13.524 1.00 63.21 H new ATOM 0 HB2 TYR A 26 -28.557 10.625 13.749 1.00 1.54 H new ATOM 0 HB3 TYR A 26 -29.828 10.111 14.841 1.00 1.54 H new ATOM 0 HD1 TYR A 26 -31.952 9.249 12.950 1.00 12.34 H new ATOM 0 HD2 TYR A 26 -27.737 8.648 12.781 1.00 74.23 H new ATOM 0 HE1 TYR A 26 -32.297 7.228 11.600 1.00 30.03 H new ATOM 0 HE2 TYR A 26 -28.079 6.628 11.426 1.00 62.22 H new ATOM 0 HH TYR A 26 -31.218 5.774 10.142 1.00 12.01 H new ATOM 428 N MET A 27 -30.572 13.921 13.727 1.00 63.21 N ATOM 429 CA MET A 27 -30.307 15.174 14.425 1.00 73.41 C ATOM 430 C MET A 27 -30.497 15.008 15.929 1.00 3.34 C ATOM 431 O MET A 27 -29.717 15.533 16.724 1.00 5.21 O ATOM 432 CB MET A 27 -31.228 16.278 13.902 1.00 62.15 C ATOM 433 CG MET A 27 -31.201 16.425 12.389 1.00 42.51 C ATOM 434 SD MET A 27 -32.852 16.471 11.666 1.00 61.22 S ATOM 435 CE MET A 27 -33.469 14.854 12.129 1.00 43.32 C ATOM 0 H MET A 27 -31.127 14.020 12.877 1.00 63.21 H new ATOM 0 HA MET A 27 -29.271 15.455 14.236 1.00 73.41 H new ATOM 0 HB2 MET A 27 -32.249 16.069 14.221 1.00 62.15 H new ATOM 0 HB3 MET A 27 -30.940 17.226 14.356 1.00 62.15 H new ATOM 0 HG2 MET A 27 -30.668 17.339 12.126 1.00 42.51 H new ATOM 0 HG3 MET A 27 -30.642 15.595 11.957 1.00 42.51 H new ATOM 0 HE1 MET A 27 -34.424 14.674 11.635 1.00 43.32 H new ATOM 0 HE2 MET A 27 -32.753 14.091 11.824 1.00 43.32 H new ATOM 0 HE3 MET A 27 -33.606 14.812 13.210 1.00 43.32 H new ATOM 445 N ASP A 28 -31.537 14.277 16.313 1.00 22.52 N ATOM 446 CA ASP A 28 -31.828 14.042 17.723 1.00 61.43 C ATOM 447 C ASP A 28 -31.439 12.624 18.129 1.00 60.41 C ATOM 448 O ASP A 28 -31.255 12.334 19.311 1.00 2.44 O ATOM 449 CB ASP A 28 -33.313 14.277 18.005 1.00 4.21 C ATOM 450 CG ASP A 28 -33.639 15.745 18.200 1.00 20.22 C ATOM 451 OD1 ASP A 28 -33.286 16.554 17.316 1.00 13.05 O ATOM 452 OD2 ASP A 28 -34.248 16.084 19.236 1.00 1.11 O ATOM 0 H ASP A 28 -32.193 13.837 15.668 1.00 22.52 H new ATOM 0 HA ASP A 28 -31.238 14.744 18.312 1.00 61.43 H new ATOM 0 HB2 ASP A 28 -33.904 13.883 17.178 1.00 4.21 H new ATOM 0 HB3 ASP A 28 -33.603 13.722 18.897 1.00 4.21 H new ATOM 457 N ASP A 29 -31.317 11.743 17.142 1.00 41.45 N ATOM 458 CA ASP A 29 -30.950 10.355 17.396 1.00 40.12 C ATOM 459 C ASP A 29 -29.447 10.152 17.232 1.00 20.42 C ATOM 460 O ASP A 29 -28.984 9.037 16.988 1.00 42.45 O ATOM 461 CB ASP A 29 -31.709 9.423 16.450 1.00 13.11 C ATOM 462 CG ASP A 29 -33.017 8.937 17.043 1.00 54.52 C ATOM 463 OD1 ASP A 29 -33.607 9.672 17.863 1.00 3.31 O ATOM 464 OD2 ASP A 29 -33.452 7.823 16.686 1.00 75.13 O ATOM 0 H ASP A 29 -31.467 11.966 16.158 1.00 41.45 H new ATOM 0 HA ASP A 29 -31.221 10.116 18.424 1.00 40.12 H new ATOM 0 HB2 ASP A 29 -31.909 9.944 15.514 1.00 13.11 H new ATOM 0 HB3 ASP A 29 -31.082 8.565 16.209 1.00 13.11 H new ATOM 469 N PHE A 30 -28.690 11.235 17.368 1.00 51.41 N ATOM 470 CA PHE A 30 -27.239 11.176 17.233 1.00 13.51 C ATOM 471 C PHE A 30 -26.556 11.500 18.559 1.00 73.23 C ATOM 472 O PHE A 30 -27.025 12.344 19.323 1.00 51.10 O ATOM 473 CB PHE A 30 -26.766 12.150 16.152 1.00 53.51 C ATOM 474 CG PHE A 30 -25.357 12.631 16.353 1.00 74.24 C ATOM 475 CD1 PHE A 30 -25.049 13.504 17.383 1.00 14.31 C ATOM 476 CD2 PHE A 30 -24.341 12.209 15.510 1.00 11.34 C ATOM 477 CE1 PHE A 30 -23.754 13.948 17.571 1.00 42.01 C ATOM 478 CE2 PHE A 30 -23.044 12.649 15.693 1.00 2.25 C ATOM 479 CZ PHE A 30 -22.750 13.521 16.724 1.00 20.42 C ATOM 0 H PHE A 30 -29.057 12.165 17.572 1.00 51.41 H new ATOM 0 HA PHE A 30 -26.967 10.161 16.942 1.00 13.51 H new ATOM 0 HB2 PHE A 30 -26.840 11.664 15.179 1.00 53.51 H new ATOM 0 HB3 PHE A 30 -27.435 13.010 16.131 1.00 53.51 H new ATOM 0 HD1 PHE A 30 -25.830 13.842 18.047 1.00 14.31 H new ATOM 0 HD2 PHE A 30 -24.565 11.529 14.701 1.00 11.34 H new ATOM 0 HE1 PHE A 30 -23.527 14.628 18.379 1.00 42.01 H new ATOM 0 HE2 PHE A 30 -22.260 12.312 15.031 1.00 2.25 H new ATOM 0 HZ PHE A 30 -21.737 13.868 16.867 1.00 20.42 H new ATOM 489 N THR A 31 -25.445 10.821 18.826 1.00 43.10 N ATOM 490 CA THR A 31 -24.697 11.034 20.059 1.00 73.50 C ATOM 491 C THR A 31 -23.247 11.402 19.766 1.00 32.44 C ATOM 492 O THR A 31 -22.574 10.736 18.979 1.00 34.44 O ATOM 493 CB THR A 31 -24.726 9.782 20.956 1.00 33.22 C ATOM 494 OG1 THR A 31 -26.048 9.576 21.468 1.00 41.50 O ATOM 495 CG2 THR A 31 -23.746 9.921 22.111 1.00 62.10 C ATOM 0 H THR A 31 -25.043 10.119 18.205 1.00 43.10 H new ATOM 0 HA THR A 31 -25.179 11.859 20.583 1.00 73.50 H new ATOM 0 HB THR A 31 -24.433 8.923 20.352 1.00 33.22 H new ATOM 0 HG1 THR A 31 -26.058 8.777 22.036 1.00 41.50 H new ATOM 0 HG21 THR A 31 -23.784 9.025 22.730 1.00 62.10 H new ATOM 0 HG22 THR A 31 -22.737 10.048 21.719 1.00 62.10 H new ATOM 0 HG23 THR A 31 -24.014 10.790 22.713 1.00 62.10 H new ATOM 503 N ASP A 32 -22.771 12.465 20.405 1.00 74.11 N ATOM 504 CA ASP A 32 -21.399 12.921 20.214 1.00 33.43 C ATOM 505 C ASP A 32 -20.478 12.332 21.278 1.00 34.33 C ATOM 506 O ASP A 32 -20.609 12.636 22.465 1.00 62.31 O ATOM 507 CB ASP A 32 -21.336 14.448 20.256 1.00 12.22 C ATOM 508 CG ASP A 32 -20.359 15.015 19.245 1.00 54.30 C ATOM 509 OD1 ASP A 32 -19.149 14.737 19.370 1.00 44.03 O ATOM 510 OD2 ASP A 32 -20.806 15.738 18.329 1.00 4.12 O ATOM 0 H ASP A 32 -23.315 13.027 21.060 1.00 74.11 H new ATOM 0 HA ASP A 32 -21.061 12.578 19.236 1.00 33.43 H new ATOM 0 HB2 ASP A 32 -22.329 14.855 20.065 1.00 12.22 H new ATOM 0 HB3 ASP A 32 -21.047 14.769 21.256 1.00 12.22 H new ATOM 515 N LEU A 33 -19.548 11.487 20.847 1.00 54.14 N ATOM 516 CA LEU A 33 -18.605 10.854 21.762 1.00 35.02 C ATOM 517 C LEU A 33 -17.172 11.258 21.433 1.00 40.01 C ATOM 518 O LEU A 33 -16.267 11.102 22.253 1.00 1.35 O ATOM 519 CB LEU A 33 -18.746 9.332 21.698 1.00 1.13 C ATOM 520 CG LEU A 33 -17.629 8.585 20.969 1.00 22.01 C ATOM 521 CD1 LEU A 33 -17.928 7.095 20.919 1.00 62.34 C ATOM 522 CD2 LEU A 33 -17.443 9.141 19.565 1.00 52.41 C ATOM 0 H LEU A 33 -19.427 11.224 19.869 1.00 54.14 H new ATOM 0 HA LEU A 33 -18.835 11.192 22.773 1.00 35.02 H new ATOM 0 HB2 LEU A 33 -18.807 8.950 22.717 1.00 1.13 H new ATOM 0 HB3 LEU A 33 -19.692 9.095 21.212 1.00 1.13 H new ATOM 0 HG LEU A 33 -16.701 8.730 21.521 1.00 22.01 H new ATOM 0 HD11 LEU A 33 -17.122 6.580 20.396 1.00 62.34 H new ATOM 0 HD12 LEU A 33 -18.010 6.706 21.934 1.00 62.34 H new ATOM 0 HD13 LEU A 33 -18.867 6.930 20.391 1.00 62.34 H new ATOM 0 HD21 LEU A 33 -16.644 8.597 19.061 1.00 52.41 H new ATOM 0 HD22 LEU A 33 -18.370 9.027 19.003 1.00 52.41 H new ATOM 0 HD23 LEU A 33 -17.182 10.198 19.624 1.00 52.41 H new ATOM 534 N THR A 34 -16.972 11.780 20.227 1.00 42.32 N ATOM 535 CA THR A 34 -15.649 12.208 19.789 1.00 12.00 C ATOM 536 C THR A 34 -14.993 13.113 20.826 1.00 62.34 C ATOM 537 O THR A 34 -15.638 13.996 21.392 1.00 65.24 O ATOM 538 CB THR A 34 -15.717 12.954 18.443 1.00 61.42 C ATOM 539 OG1 THR A 34 -16.609 12.275 17.551 1.00 1.34 O ATOM 540 CG2 THR A 34 -14.337 13.053 17.809 1.00 14.14 C ATOM 0 H THR A 34 -17.710 11.917 19.536 1.00 42.32 H new ATOM 0 HA THR A 34 -15.049 11.306 19.666 1.00 12.00 H new ATOM 0 HB THR A 34 -16.087 13.962 18.630 1.00 61.42 H new ATOM 0 HG1 THR A 34 -16.224 11.410 17.299 1.00 1.34 H new ATOM 0 HG21 THR A 34 -14.410 13.584 16.860 1.00 14.14 H new ATOM 0 HG22 THR A 34 -13.668 13.595 18.477 1.00 14.14 H new ATOM 0 HG23 THR A 34 -13.944 12.051 17.636 1.00 14.14 H new ATOM 727 N GLN A 45 -11.253 11.448 16.666 1.00 1.01 N ATOM 728 CA GLN A 45 -11.070 10.566 15.520 1.00 62.23 C ATOM 729 C GLN A 45 -12.303 10.576 14.623 1.00 72.42 C ATOM 730 O GLN A 45 -12.446 9.730 13.739 1.00 14.20 O ATOM 731 CB GLN A 45 -10.777 9.140 15.989 1.00 61.53 C ATOM 732 CG GLN A 45 -10.501 8.170 14.851 1.00 23.31 C ATOM 733 CD GLN A 45 -9.797 6.910 15.316 1.00 34.22 C ATOM 734 OE1 GLN A 45 -10.563 5.844 15.516 1.00 70.41 O flip ATOM 735 NE2 GLN A 45 -8.579 6.895 15.494 1.00 32.43 N flip ATOM 0 HA GLN A 45 -10.221 10.933 14.943 1.00 62.23 H new ATOM 0 HB2 GLN A 45 -9.917 9.156 16.658 1.00 61.53 H new ATOM 0 HB3 GLN A 45 -11.625 8.775 16.569 1.00 61.53 H new ATOM 0 HG2 GLN A 45 -11.442 7.900 14.372 1.00 23.31 H new ATOM 0 HG3 GLN A 45 -9.890 8.665 14.096 1.00 23.31 H new ATOM 0 HE21 GLN A 45 -8.029 7.738 15.328 1.00 32.43 H new ATOM 0 HE22 GLN A 45 -8.120 6.040 15.807 1.00 32.43 H new ATOM 744 N ILE A 46 -13.191 11.536 14.856 1.00 2.34 N ATOM 745 CA ILE A 46 -14.412 11.656 14.069 1.00 65.22 C ATOM 746 C ILE A 46 -15.469 10.664 14.540 1.00 32.23 C ATOM 747 O ILE A 46 -16.648 11.004 14.651 1.00 24.53 O ATOM 748 CB ILE A 46 -14.140 11.426 12.570 1.00 24.34 C ATOM 749 CG1 ILE A 46 -14.700 12.585 11.744 1.00 1.11 C ATOM 750 CG2 ILE A 46 -14.745 10.105 12.119 1.00 52.10 C ATOM 751 CD1 ILE A 46 -13.636 13.382 11.022 1.00 10.12 C ATOM 0 H ILE A 46 -13.088 12.243 15.584 1.00 2.34 H new ATOM 0 HA ILE A 46 -14.781 12.672 14.212 1.00 65.22 H new ATOM 0 HB ILE A 46 -13.062 11.382 12.414 1.00 24.34 H new ATOM 0 HG12 ILE A 46 -15.406 12.192 11.013 1.00 1.11 H new ATOM 0 HG13 ILE A 46 -15.259 13.252 12.401 1.00 1.11 H new ATOM 0 HG21 ILE A 46 -14.545 9.956 11.058 1.00 52.10 H new ATOM 0 HG22 ILE A 46 -14.302 9.288 12.690 1.00 52.10 H new ATOM 0 HG23 ILE A 46 -15.822 10.122 12.286 1.00 52.10 H new ATOM 0 HD11 ILE A 46 -14.105 14.187 10.457 1.00 10.12 H new ATOM 0 HD12 ILE A 46 -12.943 13.805 11.749 1.00 10.12 H new ATOM 0 HD13 ILE A 46 -13.092 12.729 10.340 1.00 10.12 H new ATOM 763 N ILE A 47 -15.040 9.437 14.818 1.00 52.23 N ATOM 764 CA ILE A 47 -15.950 8.397 15.280 1.00 21.44 C ATOM 765 C ILE A 47 -17.059 8.982 16.149 1.00 64.25 C ATOM 766 O ILE A 47 -16.830 9.912 16.922 1.00 55.20 O ATOM 767 CB ILE A 47 -15.205 7.312 16.081 1.00 44.40 C ATOM 768 CG1 ILE A 47 -14.936 7.795 17.508 1.00 43.44 C ATOM 769 CG2 ILE A 47 -13.902 6.943 15.387 1.00 73.32 C ATOM 770 CD1 ILE A 47 -13.949 8.939 17.582 1.00 3.34 C ATOM 0 H ILE A 47 -14.068 9.139 14.731 1.00 52.23 H new ATOM 0 HA ILE A 47 -16.389 7.945 14.391 1.00 21.44 H new ATOM 0 HB ILE A 47 -15.833 6.422 16.131 1.00 44.40 H new ATOM 0 HG12 ILE A 47 -15.877 8.108 17.961 1.00 43.44 H new ATOM 0 HG13 ILE A 47 -14.559 6.961 18.100 1.00 43.44 H new ATOM 0 HG21 ILE A 47 -13.387 6.175 15.965 1.00 73.32 H new ATOM 0 HG22 ILE A 47 -14.117 6.563 14.388 1.00 73.32 H new ATOM 0 HG23 ILE A 47 -13.268 7.826 15.310 1.00 73.32 H new ATOM 0 HD11 ILE A 47 -13.806 9.230 18.623 1.00 3.34 H new ATOM 0 HD12 ILE A 47 -12.995 8.624 17.159 1.00 3.34 H new ATOM 0 HD13 ILE A 47 -14.334 9.788 17.017 1.00 3.34 H new ATOM 782 N PHE A 48 -18.260 8.429 16.017 1.00 41.35 N ATOM 783 CA PHE A 48 -19.405 8.896 16.790 1.00 71.44 C ATOM 784 C PHE A 48 -20.388 7.757 17.046 1.00 54.24 C ATOM 785 O PHE A 48 -20.323 6.711 16.402 1.00 25.41 O ATOM 786 CB PHE A 48 -20.110 10.039 16.057 1.00 34.11 C ATOM 787 CG PHE A 48 -20.562 9.675 14.672 1.00 74.32 C ATOM 788 CD1 PHE A 48 -19.644 9.297 13.706 1.00 62.21 C ATOM 789 CD2 PHE A 48 -21.906 9.711 14.335 1.00 31.34 C ATOM 790 CE1 PHE A 48 -20.056 8.961 12.430 1.00 34.43 C ATOM 791 CE2 PHE A 48 -22.325 9.375 13.062 1.00 44.33 C ATOM 792 CZ PHE A 48 -21.399 9.001 12.108 1.00 44.04 C ATOM 0 H PHE A 48 -18.466 7.657 15.382 1.00 41.35 H new ATOM 0 HA PHE A 48 -19.040 9.261 17.750 1.00 71.44 H new ATOM 0 HB2 PHE A 48 -20.974 10.356 16.641 1.00 34.11 H new ATOM 0 HB3 PHE A 48 -19.435 10.893 15.998 1.00 34.11 H new ATOM 0 HD1 PHE A 48 -18.593 9.264 13.953 1.00 62.21 H new ATOM 0 HD2 PHE A 48 -22.634 10.005 15.076 1.00 31.34 H new ATOM 0 HE1 PHE A 48 -19.330 8.668 11.686 1.00 34.43 H new ATOM 0 HE2 PHE A 48 -23.376 9.405 12.813 1.00 44.33 H new ATOM 0 HZ PHE A 48 -21.724 8.740 11.112 1.00 44.04 H new ATOM 802 N GLU A 49 -21.299 7.971 17.991 1.00 62.25 N ATOM 803 CA GLU A 49 -22.295 6.962 18.333 1.00 42.23 C ATOM 804 C GLU A 49 -23.681 7.382 17.854 1.00 53.35 C ATOM 805 O GLU A 49 -24.004 8.570 17.819 1.00 10.21 O ATOM 806 CB GLU A 49 -22.315 6.726 19.844 1.00 34.03 C ATOM 807 CG GLU A 49 -20.972 6.298 20.412 1.00 75.12 C ATOM 808 CD GLU A 49 -21.068 5.838 21.854 1.00 53.33 C ATOM 809 OE1 GLU A 49 -21.468 4.677 22.082 1.00 44.44 O ATOM 810 OE2 GLU A 49 -20.743 6.640 22.754 1.00 12.42 O ATOM 0 H GLU A 49 -21.368 8.833 18.532 1.00 62.25 H new ATOM 0 HA GLU A 49 -22.022 6.034 17.831 1.00 42.23 H new ATOM 0 HB2 GLU A 49 -22.635 7.641 20.342 1.00 34.03 H new ATOM 0 HB3 GLU A 49 -23.057 5.962 20.074 1.00 34.03 H new ATOM 0 HG2 GLU A 49 -20.565 5.491 19.803 1.00 75.12 H new ATOM 0 HG3 GLU A 49 -20.272 7.131 20.346 1.00 75.12 H new ATOM 817 N ILE A 50 -24.496 6.400 17.484 1.00 31.24 N ATOM 818 CA ILE A 50 -25.847 6.667 17.008 1.00 74.02 C ATOM 819 C ILE A 50 -26.873 5.827 17.763 1.00 45.45 C ATOM 820 O ILE A 50 -26.671 4.633 17.986 1.00 40.12 O ATOM 821 CB ILE A 50 -25.979 6.384 15.500 1.00 62.23 C ATOM 822 CG1 ILE A 50 -25.302 7.491 14.690 1.00 44.32 C ATOM 823 CG2 ILE A 50 -27.444 6.256 15.110 1.00 20.25 C ATOM 824 CD1 ILE A 50 -25.871 8.868 14.954 1.00 20.41 C ATOM 0 H ILE A 50 -24.244 5.412 17.505 1.00 31.24 H new ATOM 0 HA ILE A 50 -26.042 7.724 17.190 1.00 74.02 H new ATOM 0 HB ILE A 50 -25.481 5.440 15.278 1.00 62.23 H new ATOM 0 HG12 ILE A 50 -24.236 7.497 14.919 1.00 44.32 H new ATOM 0 HG13 ILE A 50 -25.399 7.264 13.628 1.00 44.32 H new ATOM 0 HG21 ILE A 50 -27.520 6.056 14.041 1.00 20.25 H new ATOM 0 HG22 ILE A 50 -27.898 5.436 15.666 1.00 20.25 H new ATOM 0 HG23 ILE A 50 -27.965 7.185 15.343 1.00 20.25 H new ATOM 0 HD11 ILE A 50 -25.343 9.603 14.346 1.00 20.41 H new ATOM 0 HD12 ILE A 50 -26.931 8.879 14.698 1.00 20.41 H new ATOM 0 HD13 ILE A 50 -25.750 9.116 16.009 1.00 20.41 H new ATOM 836 N THR A 51 -27.975 6.459 18.153 1.00 53.34 N ATOM 837 CA THR A 51 -29.033 5.771 18.882 1.00 51.24 C ATOM 838 C THR A 51 -30.108 5.254 17.933 1.00 71.14 C ATOM 839 O THR A 51 -30.675 6.014 17.146 1.00 1.25 O ATOM 840 CB THR A 51 -29.688 6.695 19.926 1.00 22.43 C ATOM 841 OG1 THR A 51 -28.758 6.982 20.977 1.00 54.21 O ATOM 842 CG2 THR A 51 -30.937 6.052 20.509 1.00 32.24 C ATOM 0 H THR A 51 -28.158 7.447 17.976 1.00 53.34 H new ATOM 0 HA THR A 51 -28.568 4.928 19.394 1.00 51.24 H new ATOM 0 HB THR A 51 -29.974 7.623 19.430 1.00 22.43 H new ATOM 0 HG1 THR A 51 -29.181 7.571 21.636 1.00 54.21 H new ATOM 0 HG21 THR A 51 -31.382 6.723 21.244 1.00 32.24 H new ATOM 0 HG22 THR A 51 -31.654 5.861 19.711 1.00 32.24 H new ATOM 0 HG23 THR A 51 -30.671 5.111 20.991 1.00 32.24 H new ATOM 850 N LEU A 52 -30.385 3.957 18.011 1.00 52.13 N ATOM 851 CA LEU A 52 -31.394 3.338 17.158 1.00 31.44 C ATOM 852 C LEU A 52 -32.508 2.718 17.996 1.00 54.13 C ATOM 853 O LEU A 52 -32.360 2.530 19.203 1.00 24.12 O ATOM 854 CB LEU A 52 -30.754 2.269 16.270 1.00 2.24 C ATOM 855 CG LEU A 52 -30.012 2.780 15.034 1.00 34.14 C ATOM 856 CD1 LEU A 52 -29.649 1.625 14.114 1.00 34.44 C ATOM 857 CD2 LEU A 52 -30.855 3.809 14.295 1.00 64.15 C ATOM 0 H LEU A 52 -29.925 3.314 18.656 1.00 52.13 H new ATOM 0 HA LEU A 52 -31.827 4.114 16.527 1.00 31.44 H new ATOM 0 HB2 LEU A 52 -30.055 1.692 16.876 1.00 2.24 H new ATOM 0 HB3 LEU A 52 -31.534 1.582 15.943 1.00 2.24 H new ATOM 0 HG LEU A 52 -29.090 3.261 15.360 1.00 34.14 H new ATOM 0 HD11 LEU A 52 -29.122 2.008 13.240 1.00 34.44 H new ATOM 0 HD12 LEU A 52 -29.007 0.923 14.647 1.00 34.44 H new ATOM 0 HD13 LEU A 52 -30.558 1.115 13.795 1.00 34.44 H new ATOM 0 HD21 LEU A 52 -30.312 4.162 13.418 1.00 64.15 H new ATOM 0 HD22 LEU A 52 -31.794 3.353 13.981 1.00 64.15 H new ATOM 0 HD23 LEU A 52 -31.064 4.650 14.956 1.00 64.15 H new ATOM 869 N ARG A 53 -33.624 2.401 17.346 1.00 44.32 N ATOM 870 CA ARG A 53 -34.763 1.802 18.030 1.00 23.13 C ATOM 871 C ARG A 53 -35.764 1.236 17.027 1.00 25.11 C ATOM 872 O ARG A 53 -35.836 1.688 15.885 1.00 44.24 O ATOM 873 CB ARG A 53 -35.450 2.836 18.924 1.00 23.02 C ATOM 874 CG ARG A 53 -34.906 2.871 20.343 1.00 14.33 C ATOM 875 CD ARG A 53 -34.307 4.229 20.677 1.00 71.53 C ATOM 876 NE ARG A 53 -35.299 5.142 21.237 1.00 51.32 N ATOM 877 CZ ARG A 53 -35.709 5.098 22.500 1.00 71.34 C ATOM 878 NH1 ARG A 53 -35.215 4.189 23.329 1.00 44.11 N ATOM 879 NH2 ARG A 53 -36.615 5.964 22.935 1.00 33.41 N ATOM 0 H ARG A 53 -33.763 2.549 16.346 1.00 44.32 H new ATOM 0 HA ARG A 53 -34.394 0.985 18.649 1.00 23.13 H new ATOM 0 HB2 ARG A 53 -35.337 3.823 18.476 1.00 23.02 H new ATOM 0 HB3 ARG A 53 -36.518 2.622 18.958 1.00 23.02 H new ATOM 0 HG2 ARG A 53 -35.707 2.642 21.046 1.00 14.33 H new ATOM 0 HG3 ARG A 53 -34.147 2.098 20.462 1.00 14.33 H new ATOM 0 HD2 ARG A 53 -33.491 4.100 21.388 1.00 71.53 H new ATOM 0 HD3 ARG A 53 -33.879 4.668 19.776 1.00 71.53 H new ATOM 0 HE ARG A 53 -35.699 5.853 20.625 1.00 51.32 H new ATOM 0 HH11 ARG A 53 -34.519 3.521 22.998 1.00 44.11 H new ATOM 0 HH12 ARG A 53 -35.531 4.157 24.298 1.00 44.11 H new ATOM 0 HH21 ARG A 53 -36.997 6.664 22.300 1.00 33.41 H new ATOM 0 HH22 ARG A 53 -36.929 5.929 23.905 1.00 33.41 H new ATOM 893 N SER A 54 -36.533 0.244 17.463 1.00 73.44 N ATOM 894 CA SER A 54 -37.527 -0.387 16.602 1.00 61.33 C ATOM 895 C SER A 54 -38.510 0.646 16.059 1.00 65.34 C ATOM 896 O SER A 54 -38.333 1.849 16.250 1.00 25.12 O ATOM 897 CB SER A 54 -38.283 -1.472 17.370 1.00 33.54 C ATOM 898 OG SER A 54 -37.633 -2.726 17.256 1.00 64.13 O ATOM 0 H SER A 54 -36.487 -0.140 18.407 1.00 73.44 H new ATOM 0 HA SER A 54 -37.005 -0.844 15.761 1.00 61.33 H new ATOM 0 HB2 SER A 54 -38.358 -1.192 18.421 1.00 33.54 H new ATOM 0 HB3 SER A 54 -39.301 -1.550 16.987 1.00 33.54 H new ATOM 0 HG SER A 54 -38.176 -3.417 17.689 1.00 64.13 H new ATOM 904 N VAL A 55 -39.547 0.167 15.379 1.00 22.41 N ATOM 905 CA VAL A 55 -40.559 1.047 14.808 1.00 32.13 C ATOM 906 C VAL A 55 -41.664 1.340 15.817 1.00 51.31 C ATOM 907 O VAL A 55 -42.239 2.429 15.824 1.00 31.11 O ATOM 908 CB VAL A 55 -41.185 0.435 13.541 1.00 33.21 C ATOM 909 CG1 VAL A 55 -40.126 0.225 12.470 1.00 21.51 C ATOM 910 CG2 VAL A 55 -41.887 -0.874 13.873 1.00 41.42 C ATOM 0 H VAL A 55 -39.708 -0.826 15.210 1.00 22.41 H new ATOM 0 HA VAL A 55 -40.057 1.977 14.543 1.00 32.13 H new ATOM 0 HB VAL A 55 -41.928 1.131 13.151 1.00 33.21 H new ATOM 0 HG11 VAL A 55 -40.587 -0.208 11.582 1.00 21.51 H new ATOM 0 HG12 VAL A 55 -39.673 1.183 12.213 1.00 21.51 H new ATOM 0 HG13 VAL A 55 -39.357 -0.450 12.846 1.00 21.51 H new ATOM 0 HG21 VAL A 55 -42.324 -1.293 12.966 1.00 41.42 H new ATOM 0 HG22 VAL A 55 -41.166 -1.579 14.287 1.00 41.42 H new ATOM 0 HG23 VAL A 55 -42.675 -0.689 14.603 1.00 41.42 H new ATOM 920 N ASP A 56 -41.956 0.363 16.668 1.00 63.44 N ATOM 921 CA ASP A 56 -42.991 0.516 17.683 1.00 53.01 C ATOM 922 C ASP A 56 -42.406 0.363 19.083 1.00 32.43 C ATOM 923 O ASP A 56 -41.189 0.386 19.266 1.00 42.14 O ATOM 924 CB ASP A 56 -44.104 -0.511 17.466 1.00 0.22 C ATOM 925 CG ASP A 56 -45.459 0.000 17.916 1.00 24.22 C ATOM 926 OD1 ASP A 56 -45.769 1.179 17.645 1.00 61.14 O ATOM 927 OD2 ASP A 56 -46.209 -0.780 18.539 1.00 10.22 O ATOM 0 H ASP A 56 -41.490 -0.544 16.675 1.00 63.44 H new ATOM 0 HA ASP A 56 -43.410 1.518 17.592 1.00 53.01 H new ATOM 0 HB2 ASP A 56 -44.151 -0.774 16.409 1.00 0.22 H new ATOM 0 HB3 ASP A 56 -43.864 -1.424 18.011 1.00 0.22 H new ATOM 932 N LYS A 57 -43.281 0.206 20.071 1.00 55.42 N ATOM 933 CA LYS A 57 -42.853 0.049 21.456 1.00 73.04 C ATOM 934 C LYS A 57 -43.313 -1.292 22.018 1.00 22.40 C ATOM 935 O LYS A 57 -42.700 -1.832 22.939 1.00 41.25 O ATOM 936 CB LYS A 57 -43.404 1.190 22.314 1.00 32.32 C ATOM 937 CG LYS A 57 -43.076 2.571 21.774 1.00 73.22 C ATOM 938 CD LYS A 57 -41.576 2.796 21.693 1.00 42.21 C ATOM 939 CE LYS A 57 -41.129 3.915 22.622 1.00 33.51 C ATOM 940 NZ LYS A 57 -41.219 3.515 24.054 1.00 53.11 N ATOM 0 H LYS A 57 -44.292 0.184 19.938 1.00 55.42 H new ATOM 0 HA LYS A 57 -41.764 0.079 21.480 1.00 73.04 H new ATOM 0 HB2 LYS A 57 -44.486 1.086 22.389 1.00 32.32 H new ATOM 0 HB3 LYS A 57 -43.004 1.100 23.324 1.00 32.32 H new ATOM 0 HG2 LYS A 57 -43.517 2.690 20.784 1.00 73.22 H new ATOM 0 HG3 LYS A 57 -43.525 3.330 22.416 1.00 73.22 H new ATOM 0 HD2 LYS A 57 -41.054 1.875 21.954 1.00 42.21 H new ATOM 0 HD3 LYS A 57 -41.299 3.040 20.668 1.00 42.21 H new ATOM 0 HE2 LYS A 57 -40.102 4.194 22.387 1.00 33.51 H new ATOM 0 HE3 LYS A 57 -41.746 4.797 22.452 1.00 33.51 H new ATOM 0 HZ1 LYS A 57 -40.906 4.304 24.655 1.00 53.11 H new ATOM 0 HZ2 LYS A 57 -42.204 3.273 24.286 1.00 53.11 H new ATOM 0 HZ3 LYS A 57 -40.610 2.689 24.223 1.00 53.11 H new ATOM 954 N GLU A 58 -44.394 -1.825 21.457 1.00 30.11 N ATOM 955 CA GLU A 58 -44.934 -3.104 21.904 1.00 41.04 C ATOM 956 C GLU A 58 -44.762 -4.173 20.828 1.00 43.52 C ATOM 957 O GLU A 58 -44.856 -3.904 19.630 1.00 71.30 O ATOM 958 CB GLU A 58 -46.414 -2.960 22.263 1.00 73.31 C ATOM 959 CG GLU A 58 -47.232 -2.244 21.201 1.00 64.11 C ATOM 960 CD GLU A 58 -48.725 -2.407 21.406 1.00 72.22 C ATOM 961 OE1 GLU A 58 -49.126 -3.351 22.119 1.00 60.23 O ATOM 962 OE2 GLU A 58 -49.493 -1.592 20.854 1.00 41.05 O ATOM 0 H GLU A 58 -44.913 -1.392 20.693 1.00 30.11 H new ATOM 0 HA GLU A 58 -44.381 -3.413 22.791 1.00 41.04 H new ATOM 0 HB2 GLU A 58 -46.837 -3.951 22.428 1.00 73.31 H new ATOM 0 HB3 GLU A 58 -46.500 -2.416 23.204 1.00 73.31 H new ATOM 0 HG2 GLU A 58 -46.982 -1.183 21.209 1.00 64.11 H new ATOM 0 HG3 GLU A 58 -46.960 -2.628 20.218 1.00 64.11 H new ATOM 969 N PRO A 59 -44.502 -5.414 21.264 1.00 72.10 N ATOM 970 CA PRO A 59 -44.387 -5.745 22.687 1.00 31.24 C ATOM 971 C PRO A 59 -43.131 -5.155 23.320 1.00 34.11 C ATOM 972 O PRO A 59 -43.006 -5.104 24.544 1.00 63.33 O ATOM 973 CB PRO A 59 -44.320 -7.274 22.692 1.00 61.55 C ATOM 974 CG PRO A 59 -43.780 -7.634 21.350 1.00 4.54 C ATOM 975 CD PRO A 59 -44.301 -6.590 20.401 1.00 23.21 C ATOM 0 HA PRO A 59 -45.215 -5.339 23.268 1.00 31.24 H new ATOM 0 HB2 PRO A 59 -43.673 -7.639 23.490 1.00 61.55 H new ATOM 0 HB3 PRO A 59 -45.305 -7.713 22.853 1.00 61.55 H new ATOM 0 HG2 PRO A 59 -42.690 -7.645 21.358 1.00 4.54 H new ATOM 0 HG3 PRO A 59 -44.107 -8.630 21.052 1.00 4.54 H new ATOM 0 HD2 PRO A 59 -43.590 -6.384 19.601 1.00 23.21 H new ATOM 0 HD3 PRO A 59 -45.231 -6.905 19.928 1.00 23.21 H new ATOM 983 N VAL A 60 -42.204 -4.709 22.479 1.00 62.43 N ATOM 984 CA VAL A 60 -40.958 -4.121 22.956 1.00 11.00 C ATOM 985 C VAL A 60 -40.549 -2.929 22.098 1.00 12.01 C ATOM 986 O VAL A 60 -41.258 -2.550 21.167 1.00 73.55 O ATOM 987 CB VAL A 60 -39.815 -5.153 22.960 1.00 61.35 C ATOM 988 CG1 VAL A 60 -40.214 -6.389 23.751 1.00 22.32 C ATOM 989 CG2 VAL A 60 -39.428 -5.524 21.536 1.00 40.22 C ATOM 0 H VAL A 60 -42.292 -4.744 21.463 1.00 62.43 H new ATOM 0 HA VAL A 60 -41.137 -3.785 23.977 1.00 11.00 H new ATOM 0 HB VAL A 60 -38.947 -4.706 23.444 1.00 61.35 H new ATOM 0 HG11 VAL A 60 -39.394 -7.107 23.743 1.00 22.32 H new ATOM 0 HG12 VAL A 60 -40.438 -6.106 24.780 1.00 22.32 H new ATOM 0 HG13 VAL A 60 -41.097 -6.841 23.299 1.00 22.32 H new ATOM 0 HG21 VAL A 60 -38.619 -6.254 21.557 1.00 40.22 H new ATOM 0 HG22 VAL A 60 -40.290 -5.952 21.025 1.00 40.22 H new ATOM 0 HG23 VAL A 60 -39.097 -4.632 21.005 1.00 40.22 H new ATOM 999 N GLU A 61 -39.400 -2.342 22.419 1.00 34.01 N ATOM 1000 CA GLU A 61 -38.897 -1.192 21.677 1.00 14.00 C ATOM 1001 C GLU A 61 -37.541 -1.500 21.050 1.00 60.35 C ATOM 1002 O GLU A 61 -37.057 -0.758 20.195 1.00 11.33 O ATOM 1003 CB GLU A 61 -38.781 0.025 22.597 1.00 52.43 C ATOM 1004 CG GLU A 61 -37.428 0.148 23.277 1.00 61.44 C ATOM 1005 CD GLU A 61 -37.508 0.861 24.612 1.00 13.02 C ATOM 1006 OE1 GLU A 61 -37.767 0.187 25.631 1.00 61.10 O ATOM 1007 OE2 GLU A 61 -37.312 2.094 24.638 1.00 13.21 O ATOM 0 H GLU A 61 -38.801 -2.644 23.187 1.00 34.01 H new ATOM 0 HA GLU A 61 -39.605 -0.969 20.879 1.00 14.00 H new ATOM 0 HB2 GLU A 61 -38.970 0.928 22.016 1.00 52.43 H new ATOM 0 HB3 GLU A 61 -39.558 -0.032 23.360 1.00 52.43 H new ATOM 0 HG2 GLU A 61 -37.009 -0.847 23.426 1.00 61.44 H new ATOM 0 HG3 GLU A 61 -36.744 0.688 22.622 1.00 61.44 H new ATOM 1014 N SER A 62 -36.933 -2.601 21.480 1.00 3.13 N ATOM 1015 CA SER A 62 -35.630 -3.006 20.965 1.00 73.03 C ATOM 1016 C SER A 62 -34.769 -1.788 20.647 1.00 40.44 C ATOM 1017 O SER A 62 -34.797 -1.268 19.531 1.00 13.32 O ATOM 1018 CB SER A 62 -35.800 -3.866 19.711 1.00 64.30 C ATOM 1019 OG SER A 62 -36.042 -5.221 20.051 1.00 53.53 O ATOM 0 H SER A 62 -37.322 -3.229 22.184 1.00 3.13 H new ATOM 0 HA SER A 62 -35.128 -3.592 21.735 1.00 73.03 H new ATOM 0 HB2 SER A 62 -36.628 -3.484 19.114 1.00 64.30 H new ATOM 0 HB3 SER A 62 -34.904 -3.797 19.094 1.00 64.30 H new ATOM 0 HG SER A 62 -36.149 -5.750 19.233 1.00 53.53 H new ATOM 1025 N SER A 63 -34.004 -1.337 21.636 1.00 63.33 N ATOM 1026 CA SER A 63 -33.136 -0.178 21.464 1.00 54.31 C ATOM 1027 C SER A 63 -31.668 -0.593 21.464 1.00 12.41 C ATOM 1028 O SER A 63 -31.185 -1.206 22.417 1.00 55.33 O ATOM 1029 CB SER A 63 -33.389 0.844 22.574 1.00 35.13 C ATOM 1030 OG SER A 63 -32.648 0.525 23.739 1.00 10.41 O ATOM 0 H SER A 63 -33.968 -1.757 22.565 1.00 63.33 H new ATOM 0 HA SER A 63 -33.366 0.277 20.501 1.00 54.31 H new ATOM 0 HB2 SER A 63 -33.114 1.840 22.226 1.00 35.13 H new ATOM 0 HB3 SER A 63 -34.452 0.872 22.812 1.00 35.13 H new ATOM 0 HG SER A 63 -32.200 -0.338 23.616 1.00 10.41 H new ATOM 1036 N ILE A 64 -30.964 -0.254 20.389 1.00 11.25 N ATOM 1037 CA ILE A 64 -29.551 -0.590 20.265 1.00 12.34 C ATOM 1038 C ILE A 64 -28.749 0.594 19.736 1.00 11.31 C ATOM 1039 O ILE A 64 -29.214 1.337 18.870 1.00 21.15 O ATOM 1040 CB ILE A 64 -29.339 -1.797 19.333 1.00 53.12 C ATOM 1041 CG1 ILE A 64 -30.242 -2.958 19.753 1.00 31.53 C ATOM 1042 CG2 ILE A 64 -27.879 -2.224 19.342 1.00 10.43 C ATOM 1043 CD1 ILE A 64 -30.002 -4.227 18.965 1.00 43.34 C ATOM 0 H ILE A 64 -31.349 0.253 19.592 1.00 11.25 H new ATOM 0 HA ILE A 64 -29.199 -0.847 21.264 1.00 12.34 H new ATOM 0 HB ILE A 64 -29.605 -1.504 18.317 1.00 53.12 H new ATOM 0 HG12 ILE A 64 -30.087 -3.163 20.812 1.00 31.53 H new ATOM 0 HG13 ILE A 64 -31.283 -2.658 19.635 1.00 31.53 H new ATOM 0 HG21 ILE A 64 -27.746 -3.078 18.678 1.00 10.43 H new ATOM 0 HG22 ILE A 64 -27.256 -1.398 18.999 1.00 10.43 H new ATOM 0 HG23 ILE A 64 -27.588 -2.502 20.355 1.00 10.43 H new ATOM 0 HD11 ILE A 64 -30.677 -5.007 19.317 1.00 43.34 H new ATOM 0 HD12 ILE A 64 -30.185 -4.039 17.907 1.00 43.34 H new ATOM 0 HD13 ILE A 64 -28.970 -4.551 19.102 1.00 43.34 H new ATOM 1055 N THR A 65 -27.539 0.765 20.261 1.00 74.33 N ATOM 1056 CA THR A 65 -26.671 1.858 19.841 1.00 34.41 C ATOM 1057 C THR A 65 -25.484 1.339 19.038 1.00 40.41 C ATOM 1058 O THR A 65 -24.647 0.598 19.555 1.00 34.22 O ATOM 1059 CB THR A 65 -26.149 2.656 21.050 1.00 13.34 C ATOM 1060 OG1 THR A 65 -27.246 3.239 21.763 1.00 51.32 O ATOM 1061 CG2 THR A 65 -25.190 3.749 20.604 1.00 41.03 C ATOM 0 H THR A 65 -27.138 0.160 20.978 1.00 74.33 H new ATOM 0 HA THR A 65 -27.271 2.516 19.213 1.00 34.41 H new ATOM 0 HB THR A 65 -25.613 1.970 21.706 1.00 13.34 H new ATOM 0 HG1 THR A 65 -26.906 3.743 22.531 1.00 51.32 H new ATOM 0 HG21 THR A 65 -24.835 4.299 21.475 1.00 41.03 H new ATOM 0 HG22 THR A 65 -24.342 3.300 20.087 1.00 41.03 H new ATOM 0 HG23 THR A 65 -25.706 4.432 19.929 1.00 41.03 H new ATOM 1069 N LEU A 66 -25.415 1.734 17.771 1.00 11.14 N ATOM 1070 CA LEU A 66 -24.328 1.310 16.896 1.00 72.33 C ATOM 1071 C LEU A 66 -23.214 2.351 16.867 1.00 22.21 C ATOM 1072 O LEU A 66 -23.417 3.481 16.423 1.00 13.42 O ATOM 1073 CB LEU A 66 -24.853 1.068 15.479 1.00 2.32 C ATOM 1074 CG LEU A 66 -25.905 -0.032 15.331 1.00 5.43 C ATOM 1075 CD1 LEU A 66 -26.592 0.066 13.978 1.00 31.33 C ATOM 1076 CD2 LEU A 66 -25.271 -1.403 15.512 1.00 22.31 C ATOM 0 H LEU A 66 -26.099 2.347 17.327 1.00 11.14 H new ATOM 0 HA LEU A 66 -23.919 0.379 17.290 1.00 72.33 H new ATOM 0 HB2 LEU A 66 -25.277 2.000 15.106 1.00 2.32 H new ATOM 0 HB3 LEU A 66 -24.007 0.823 14.837 1.00 2.32 H new ATOM 0 HG LEU A 66 -26.657 0.103 16.108 1.00 5.43 H new ATOM 0 HD11 LEU A 66 -27.337 -0.725 13.890 1.00 31.33 H new ATOM 0 HD12 LEU A 66 -27.080 1.036 13.887 1.00 31.33 H new ATOM 0 HD13 LEU A 66 -25.852 -0.044 13.185 1.00 31.33 H new ATOM 0 HD21 LEU A 66 -26.034 -2.174 15.403 1.00 22.31 H new ATOM 0 HD22 LEU A 66 -24.498 -1.549 14.758 1.00 22.31 H new ATOM 0 HD23 LEU A 66 -24.826 -1.470 16.505 1.00 22.31 H new ATOM 1088 N HIS A 67 -22.035 1.961 17.342 1.00 43.45 N ATOM 1089 CA HIS A 67 -20.886 2.860 17.368 1.00 55.53 C ATOM 1090 C HIS A 67 -19.881 2.489 16.282 1.00 2.01 C ATOM 1091 O HIS A 67 -19.269 1.422 16.328 1.00 63.34 O ATOM 1092 CB HIS A 67 -20.212 2.821 18.739 1.00 20.33 C ATOM 1093 CG HIS A 67 -18.792 3.296 18.722 1.00 23.33 C ATOM 1094 ND1 HIS A 67 -17.641 2.659 19.044 1.00 0.45 N flip ATOM 1095 CD2 HIS A 67 -18.429 4.570 18.341 1.00 53.11 C flip ATOM 1096 CE1 HIS A 67 -16.615 3.551 18.852 1.00 62.22 C flip ATOM 1097 NE2 HIS A 67 -17.117 4.697 18.428 1.00 0.13 N flip ATOM 0 H HIS A 67 -21.850 1.029 17.714 1.00 43.45 H new ATOM 0 HA HIS A 67 -21.243 3.872 17.177 1.00 55.53 H new ATOM 0 HB2 HIS A 67 -20.784 3.436 19.434 1.00 20.33 H new ATOM 0 HB3 HIS A 67 -20.240 1.800 19.120 1.00 20.33 H new ATOM 0 HD1 HIS A 67 -17.553 1.696 19.369 1.00 0.45 H new ATOM 0 HD2 HIS A 67 -19.111 5.344 18.021 1.00 53.11 H new ATOM 0 HE1 HIS A 67 -15.568 3.349 19.020 1.00 62.22 H new ATOM 1105 N PHE A 68 -19.716 3.376 15.307 1.00 42.14 N ATOM 1106 CA PHE A 68 -18.786 3.141 14.208 1.00 22.33 C ATOM 1107 C PHE A 68 -17.513 3.963 14.387 1.00 11.25 C ATOM 1108 O PHE A 68 -17.563 5.121 14.802 1.00 22.35 O ATOM 1109 CB PHE A 68 -19.445 3.485 12.871 1.00 21.21 C ATOM 1110 CG PHE A 68 -20.893 3.864 12.996 1.00 21.15 C ATOM 1111 CD1 PHE A 68 -21.257 5.112 13.476 1.00 70.22 C ATOM 1112 CD2 PHE A 68 -21.890 2.972 12.635 1.00 21.14 C ATOM 1113 CE1 PHE A 68 -22.589 5.464 13.592 1.00 24.11 C ATOM 1114 CE2 PHE A 68 -23.223 3.319 12.749 1.00 21.41 C ATOM 1115 CZ PHE A 68 -23.573 4.566 13.229 1.00 22.42 C ATOM 0 H PHE A 68 -20.214 4.265 15.255 1.00 42.14 H new ATOM 0 HA PHE A 68 -18.519 2.084 14.212 1.00 22.33 H new ATOM 0 HB2 PHE A 68 -18.901 4.308 12.408 1.00 21.21 H new ATOM 0 HB3 PHE A 68 -19.358 2.629 12.201 1.00 21.21 H new ATOM 0 HD1 PHE A 68 -20.491 5.818 13.763 1.00 70.22 H new ATOM 0 HD2 PHE A 68 -21.623 1.995 12.260 1.00 21.14 H new ATOM 0 HE1 PHE A 68 -22.860 6.440 13.966 1.00 24.11 H new ATOM 0 HE2 PHE A 68 -23.991 2.615 12.463 1.00 21.41 H new ATOM 0 HZ PHE A 68 -24.614 4.838 13.320 1.00 22.42 H new ATOM 1125 N ALA A 69 -16.374 3.356 14.072 1.00 61.11 N ATOM 1126 CA ALA A 69 -15.088 4.031 14.196 1.00 12.42 C ATOM 1127 C ALA A 69 -14.427 4.208 12.834 1.00 41.24 C ATOM 1128 O ALA A 69 -13.940 3.246 12.240 1.00 11.32 O ATOM 1129 CB ALA A 69 -14.173 3.256 15.133 1.00 52.14 C ATOM 0 H ALA A 69 -16.315 2.397 13.729 1.00 61.11 H new ATOM 0 HA ALA A 69 -15.265 5.021 14.616 1.00 12.42 H new ATOM 0 HB1 ALA A 69 -13.216 3.772 15.216 1.00 52.14 H new ATOM 0 HB2 ALA A 69 -14.635 3.187 16.118 1.00 52.14 H new ATOM 0 HB3 ALA A 69 -14.012 2.253 14.737 1.00 52.14 H new ATOM 1135 N MET A 70 -14.414 5.443 12.343 1.00 1.32 N ATOM 1136 CA MET A 70 -13.811 5.745 11.050 1.00 55.31 C ATOM 1137 C MET A 70 -12.289 5.728 11.142 1.00 0.01 C ATOM 1138 O MET A 70 -11.652 6.774 11.274 1.00 33.10 O ATOM 1139 CB MET A 70 -14.288 7.109 10.547 1.00 12.32 C ATOM 1140 CG MET A 70 -15.801 7.253 10.522 1.00 73.33 C ATOM 1141 SD MET A 70 -16.457 7.398 8.848 1.00 11.14 S ATOM 1142 CE MET A 70 -18.218 7.311 9.166 1.00 24.10 C ATOM 0 H MET A 70 -14.814 6.251 12.821 1.00 1.32 H new ATOM 0 HA MET A 70 -14.123 4.976 10.344 1.00 55.31 H new ATOM 0 HB2 MET A 70 -13.868 7.889 11.182 1.00 12.32 H new ATOM 0 HB3 MET A 70 -13.899 7.273 9.542 1.00 12.32 H new ATOM 0 HG2 MET A 70 -16.252 6.390 11.012 1.00 73.33 H new ATOM 0 HG3 MET A 70 -16.088 8.133 11.098 1.00 73.33 H new ATOM 0 HE1 MET A 70 -18.682 6.623 8.459 1.00 24.10 H new ATOM 0 HE2 MET A 70 -18.387 6.955 10.182 1.00 24.10 H new ATOM 0 HE3 MET A 70 -18.658 8.302 9.050 1.00 24.10 H new ATOM 1152 N THR A 71 -11.710 4.533 11.072 1.00 4.41 N ATOM 1153 CA THR A 71 -10.262 4.380 11.149 1.00 14.22 C ATOM 1154 C THR A 71 -9.551 5.473 10.360 1.00 41.03 C ATOM 1155 O THR A 71 -10.121 6.096 9.464 1.00 41.41 O ATOM 1156 CB THR A 71 -9.814 3.005 10.619 1.00 10.12 C ATOM 1157 OG1 THR A 71 -10.725 2.547 9.614 1.00 43.05 O ATOM 1158 CG2 THR A 71 -9.743 1.987 11.748 1.00 43.35 C ATOM 0 H THR A 71 -12.222 3.657 10.962 1.00 4.41 H new ATOM 0 HA THR A 71 -9.991 4.461 12.202 1.00 14.22 H new ATOM 0 HB THR A 71 -8.820 3.113 10.185 1.00 10.12 H new ATOM 0 HG1 THR A 71 -10.221 2.201 8.848 1.00 43.05 H new ATOM 0 HG21 THR A 71 -9.425 1.024 11.350 1.00 43.35 H new ATOM 0 HG22 THR A 71 -9.027 2.324 12.498 1.00 43.35 H new ATOM 0 HG23 THR A 71 -10.726 1.883 12.206 1.00 43.35 H new ATOM 1166 N PRO A 72 -8.275 5.713 10.697 1.00 60.51 N ATOM 1167 CA PRO A 72 -7.458 6.730 10.030 1.00 43.40 C ATOM 1168 C PRO A 72 -7.109 6.346 8.596 1.00 12.11 C ATOM 1169 O PRO A 72 -6.445 7.100 7.886 1.00 62.13 O ATOM 1170 CB PRO A 72 -6.193 6.789 10.890 1.00 1.32 C ATOM 1171 CG PRO A 72 -6.111 5.449 11.536 1.00 51.22 C ATOM 1172 CD PRO A 72 -7.532 5.008 11.755 1.00 62.42 C ATOM 0 HA PRO A 72 -7.981 7.683 9.949 1.00 43.40 H new ATOM 0 HB2 PRO A 72 -5.311 6.990 10.283 1.00 1.32 H new ATOM 0 HB3 PRO A 72 -6.256 7.584 11.633 1.00 1.32 H new ATOM 0 HG2 PRO A 72 -5.576 4.742 10.902 1.00 51.22 H new ATOM 0 HG3 PRO A 72 -5.569 5.503 12.480 1.00 51.22 H new ATOM 0 HD2 PRO A 72 -7.635 3.927 11.666 1.00 62.42 H new ATOM 0 HD3 PRO A 72 -7.889 5.282 12.748 1.00 62.42 H new ATOM 1180 N MET A 73 -7.562 5.169 8.177 1.00 14.11 N ATOM 1181 CA MET A 73 -7.299 4.686 6.826 1.00 12.15 C ATOM 1182 C MET A 73 -8.587 4.620 6.012 1.00 13.11 C ATOM 1183 O MET A 73 -8.562 4.707 4.784 1.00 2.42 O ATOM 1184 CB MET A 73 -6.641 3.306 6.875 1.00 72.24 C ATOM 1185 CG MET A 73 -5.172 3.346 7.264 1.00 54.00 C ATOM 1186 SD MET A 73 -4.093 2.700 5.972 1.00 34.41 S ATOM 1187 CE MET A 73 -4.093 4.067 4.816 1.00 42.43 C ATOM 0 H MET A 73 -8.113 4.532 8.753 1.00 14.11 H new ATOM 0 HA MET A 73 -6.620 5.387 6.341 1.00 12.15 H new ATOM 0 HB2 MET A 73 -7.180 2.681 7.587 1.00 72.24 H new ATOM 0 HB3 MET A 73 -6.737 2.832 5.898 1.00 72.24 H new ATOM 0 HG2 MET A 73 -4.888 4.374 7.489 1.00 54.00 H new ATOM 0 HG3 MET A 73 -5.026 2.768 8.176 1.00 54.00 H new ATOM 0 HE1 MET A 73 -4.262 3.690 3.807 1.00 42.43 H new ATOM 0 HE2 MET A 73 -4.886 4.766 5.080 1.00 42.43 H new ATOM 0 HE3 MET A 73 -3.131 4.578 4.856 1.00 42.43 H new ATOM 1197 N TYR A 74 -9.711 4.465 6.703 1.00 53.41 N ATOM 1198 CA TYR A 74 -11.009 4.385 6.043 1.00 20.11 C ATOM 1199 C TYR A 74 -11.179 5.518 5.035 1.00 22.51 C ATOM 1200 O TYR A 74 -10.635 6.611 5.193 1.00 21.32 O ATOM 1201 CB TYR A 74 -12.135 4.435 7.078 1.00 64.14 C ATOM 1202 CG TYR A 74 -13.407 5.064 6.558 1.00 53.23 C ATOM 1203 CD1 TYR A 74 -13.445 6.406 6.198 1.00 73.10 C ATOM 1204 CD2 TYR A 74 -14.572 4.318 6.427 1.00 21.02 C ATOM 1205 CE1 TYR A 74 -14.606 6.986 5.723 1.00 20.51 C ATOM 1206 CE2 TYR A 74 -15.737 4.889 5.952 1.00 65.21 C ATOM 1207 CZ TYR A 74 -15.749 6.223 5.601 1.00 23.24 C ATOM 1208 OH TYR A 74 -16.907 6.795 5.129 1.00 53.51 O ATOM 0 H TYR A 74 -9.750 4.392 7.720 1.00 53.41 H new ATOM 0 HA TYR A 74 -11.058 3.437 5.508 1.00 20.11 H new ATOM 0 HB2 TYR A 74 -12.352 3.422 7.415 1.00 64.14 H new ATOM 0 HB3 TYR A 74 -11.792 4.994 7.949 1.00 64.14 H new ATOM 0 HD1 TYR A 74 -12.552 7.006 6.291 1.00 73.10 H new ATOM 0 HD2 TYR A 74 -14.567 3.273 6.701 1.00 21.02 H new ATOM 0 HE1 TYR A 74 -14.618 8.031 5.449 1.00 20.51 H new ATOM 0 HE2 TYR A 74 -16.633 4.294 5.856 1.00 65.21 H new ATOM 0 HH TYR A 74 -16.760 7.752 4.975 1.00 53.51 H new ATOM 1218 N PRO A 75 -11.953 5.251 3.973 1.00 41.34 N ATOM 1219 CA PRO A 75 -12.605 3.954 3.773 1.00 20.45 C ATOM 1220 C PRO A 75 -11.607 2.848 3.447 1.00 73.40 C ATOM 1221 O PRO A 75 -11.945 1.664 3.480 1.00 10.02 O ATOM 1222 CB PRO A 75 -13.535 4.203 2.584 1.00 73.13 C ATOM 1223 CG PRO A 75 -12.908 5.333 1.843 1.00 70.23 C ATOM 1224 CD PRO A 75 -12.251 6.197 2.883 1.00 23.54 C ATOM 0 HA PRO A 75 -13.122 3.615 4.671 1.00 20.45 H new ATOM 0 HB2 PRO A 75 -13.620 3.316 1.956 1.00 73.13 H new ATOM 0 HB3 PRO A 75 -14.542 4.457 2.915 1.00 73.13 H new ATOM 0 HG2 PRO A 75 -12.178 4.968 1.121 1.00 70.23 H new ATOM 0 HG3 PRO A 75 -13.656 5.896 1.284 1.00 70.23 H new ATOM 0 HD2 PRO A 75 -11.345 6.668 2.501 1.00 23.54 H new ATOM 0 HD3 PRO A 75 -12.911 6.998 3.215 1.00 23.54 H new ATOM 1232 N TYR A 76 -10.378 3.240 3.132 1.00 11.32 N ATOM 1233 CA TYR A 76 -9.332 2.282 2.798 1.00 64.43 C ATOM 1234 C TYR A 76 -9.468 1.013 3.634 1.00 62.44 C ATOM 1235 O TYR A 76 -9.480 -0.098 3.102 1.00 74.13 O ATOM 1236 CB TYR A 76 -7.952 2.904 3.017 1.00 44.14 C ATOM 1237 CG TYR A 76 -6.867 2.289 2.161 1.00 32.34 C ATOM 1238 CD1 TYR A 76 -6.928 2.354 0.775 1.00 41.13 C ATOM 1239 CD2 TYR A 76 -5.783 1.641 2.740 1.00 64.04 C ATOM 1240 CE1 TYR A 76 -5.940 1.793 -0.011 1.00 22.32 C ATOM 1241 CE2 TYR A 76 -4.789 1.078 1.962 1.00 12.11 C ATOM 1242 CZ TYR A 76 -4.872 1.156 0.587 1.00 14.35 C ATOM 1243 OH TYR A 76 -3.886 0.596 -0.191 1.00 24.54 O ATOM 0 H TYR A 76 -10.082 4.216 3.101 1.00 11.32 H new ATOM 0 HA TYR A 76 -9.441 2.017 1.746 1.00 64.43 H new ATOM 0 HB2 TYR A 76 -8.007 3.972 2.807 1.00 44.14 H new ATOM 0 HB3 TYR A 76 -7.678 2.799 4.067 1.00 44.14 H new ATOM 0 HD1 TYR A 76 -7.762 2.852 0.303 1.00 41.13 H new ATOM 0 HD2 TYR A 76 -5.716 1.576 3.816 1.00 64.04 H new ATOM 0 HE1 TYR A 76 -6.003 1.853 -1.087 1.00 22.32 H new ATOM 0 HE2 TYR A 76 -3.952 0.580 2.428 1.00 12.11 H new ATOM 0 HH TYR A 76 -3.207 0.188 0.385 1.00 24.54 H new ATOM 1253 N THR A 77 -9.570 1.186 4.948 1.00 74.42 N ATOM 1254 CA THR A 77 -9.705 0.056 5.859 1.00 14.31 C ATOM 1255 C THR A 77 -11.123 -0.037 6.413 1.00 64.13 C ATOM 1256 O THR A 77 -11.917 0.892 6.270 1.00 32.32 O ATOM 1257 CB THR A 77 -8.714 0.160 7.033 1.00 4.10 C ATOM 1258 OG1 THR A 77 -9.043 1.286 7.855 1.00 70.34 O ATOM 1259 CG2 THR A 77 -7.286 0.297 6.525 1.00 12.11 C ATOM 0 H THR A 77 -9.562 2.098 5.405 1.00 74.42 H new ATOM 0 HA THR A 77 -9.483 -0.843 5.283 1.00 14.31 H new ATOM 0 HB THR A 77 -8.788 -0.753 7.623 1.00 4.10 H new ATOM 0 HG1 THR A 77 -8.516 1.254 8.680 1.00 70.34 H new ATOM 0 HG21 THR A 77 -6.604 0.369 7.372 1.00 12.11 H new ATOM 0 HG22 THR A 77 -7.028 -0.575 5.924 1.00 12.11 H new ATOM 0 HG23 THR A 77 -7.202 1.196 5.914 1.00 12.11 H new ATOM 1267 N ALA A 78 -11.433 -1.164 7.045 1.00 24.04 N ATOM 1268 CA ALA A 78 -12.754 -1.377 7.623 1.00 22.10 C ATOM 1269 C ALA A 78 -12.814 -0.868 9.059 1.00 2.51 C ATOM 1270 O ALA A 78 -11.967 -1.189 9.893 1.00 33.12 O ATOM 1271 CB ALA A 78 -13.122 -2.852 7.569 1.00 61.43 C ATOM 0 H ALA A 78 -10.787 -1.944 7.170 1.00 24.04 H new ATOM 0 HA ALA A 78 -13.476 -0.811 7.034 1.00 22.10 H new ATOM 0 HB1 ALA A 78 -14.111 -2.996 8.004 1.00 61.43 H new ATOM 0 HB2 ALA A 78 -13.129 -3.187 6.532 1.00 61.43 H new ATOM 0 HB3 ALA A 78 -12.390 -3.431 8.132 1.00 61.43 H new ATOM 1277 N PRO A 79 -13.837 -0.053 9.356 1.00 0.25 N ATOM 1278 CA PRO A 79 -14.031 0.519 10.692 1.00 34.33 C ATOM 1279 C PRO A 79 -14.442 -0.532 11.718 1.00 21.12 C ATOM 1280 O PRO A 79 -14.444 -1.728 11.428 1.00 51.22 O ATOM 1281 CB PRO A 79 -15.160 1.532 10.484 1.00 64.11 C ATOM 1282 CG PRO A 79 -15.906 1.029 9.297 1.00 34.52 C ATOM 1283 CD PRO A 79 -14.883 0.373 8.412 1.00 72.34 C ATOM 0 HA PRO A 79 -13.113 0.957 11.085 1.00 34.33 H new ATOM 0 HB2 PRO A 79 -15.805 1.592 11.361 1.00 64.11 H new ATOM 0 HB3 PRO A 79 -14.766 2.533 10.309 1.00 64.11 H new ATOM 0 HG2 PRO A 79 -16.678 0.319 9.594 1.00 34.52 H new ATOM 0 HG3 PRO A 79 -16.407 1.845 8.776 1.00 34.52 H new ATOM 0 HD2 PRO A 79 -15.304 -0.474 7.870 1.00 72.34 H new ATOM 0 HD3 PRO A 79 -14.493 1.066 7.666 1.00 72.34 H new ATOM 1291 N GLU A 80 -14.789 -0.077 12.918 1.00 21.22 N ATOM 1292 CA GLU A 80 -15.201 -0.980 13.987 1.00 41.22 C ATOM 1293 C GLU A 80 -16.617 -0.658 14.455 1.00 10.22 C ATOM 1294 O GLU A 80 -16.955 0.502 14.693 1.00 44.44 O ATOM 1295 CB GLU A 80 -14.229 -0.888 15.165 1.00 20.30 C ATOM 1296 CG GLU A 80 -14.808 -1.400 16.473 1.00 15.32 C ATOM 1297 CD GLU A 80 -13.890 -2.383 17.173 1.00 14.22 C ATOM 1298 OE1 GLU A 80 -12.836 -1.949 17.683 1.00 63.24 O ATOM 1299 OE2 GLU A 80 -14.226 -3.585 17.211 1.00 0.15 O ATOM 0 H GLU A 80 -14.793 0.910 13.174 1.00 21.22 H new ATOM 0 HA GLU A 80 -15.189 -1.997 13.594 1.00 41.22 H new ATOM 0 HB2 GLU A 80 -13.330 -1.456 14.928 1.00 20.30 H new ATOM 0 HB3 GLU A 80 -13.925 0.151 15.294 1.00 20.30 H new ATOM 0 HG2 GLU A 80 -15.003 -0.556 17.135 1.00 15.32 H new ATOM 0 HG3 GLU A 80 -15.767 -1.880 16.278 1.00 15.32 H new ATOM 1306 N ILE A 81 -17.440 -1.692 14.585 1.00 35.43 N ATOM 1307 CA ILE A 81 -18.819 -1.520 15.025 1.00 33.25 C ATOM 1308 C ILE A 81 -19.107 -2.351 16.271 1.00 25.42 C ATOM 1309 O ILE A 81 -18.619 -3.473 16.406 1.00 34.21 O ATOM 1310 CB ILE A 81 -19.817 -1.912 13.919 1.00 24.23 C ATOM 1311 CG1 ILE A 81 -19.340 -1.387 12.563 1.00 13.14 C ATOM 1312 CG2 ILE A 81 -21.204 -1.378 14.243 1.00 43.30 C ATOM 1313 CD1 ILE A 81 -19.332 0.123 12.469 1.00 35.22 C ATOM 0 H ILE A 81 -17.176 -2.658 14.392 1.00 35.43 H new ATOM 0 HA ILE A 81 -18.945 -0.463 15.259 1.00 33.25 H new ATOM 0 HB ILE A 81 -19.872 -2.999 13.868 1.00 24.23 H new ATOM 0 HG12 ILE A 81 -18.334 -1.760 12.371 1.00 13.14 H new ATOM 0 HG13 ILE A 81 -19.984 -1.788 11.780 1.00 13.14 H new ATOM 0 HG21 ILE A 81 -21.898 -1.663 13.452 1.00 43.30 H new ATOM 0 HG22 ILE A 81 -21.543 -1.796 15.191 1.00 43.30 H new ATOM 0 HG23 ILE A 81 -21.167 -0.291 14.319 1.00 43.30 H new ATOM 0 HD11 ILE A 81 -18.983 0.424 11.481 1.00 35.22 H new ATOM 0 HD12 ILE A 81 -20.341 0.503 12.629 1.00 35.22 H new ATOM 0 HD13 ILE A 81 -18.666 0.531 13.229 1.00 35.22 H new ATOM 1325 N GLU A 82 -19.902 -1.793 17.178 1.00 12.01 N ATOM 1326 CA GLU A 82 -20.255 -2.484 18.413 1.00 51.03 C ATOM 1327 C GLU A 82 -21.684 -2.152 18.833 1.00 41.40 C ATOM 1328 O GLU A 82 -22.156 -1.032 18.636 1.00 12.21 O ATOM 1329 CB GLU A 82 -19.282 -2.106 19.531 1.00 2.32 C ATOM 1330 CG GLU A 82 -19.743 -0.922 20.365 1.00 31.31 C ATOM 1331 CD GLU A 82 -18.642 -0.365 21.246 1.00 11.11 C ATOM 1332 OE1 GLU A 82 -17.977 -1.163 21.940 1.00 51.32 O ATOM 1333 OE2 GLU A 82 -18.445 0.868 21.242 1.00 14.24 O ATOM 0 H GLU A 82 -20.314 -0.865 17.081 1.00 12.01 H new ATOM 0 HA GLU A 82 -20.188 -3.557 18.231 1.00 51.03 H new ATOM 0 HB2 GLU A 82 -19.141 -2.967 20.185 1.00 2.32 H new ATOM 0 HB3 GLU A 82 -18.311 -1.875 19.093 1.00 2.32 H new ATOM 0 HG2 GLU A 82 -20.106 -0.136 19.703 1.00 31.31 H new ATOM 0 HG3 GLU A 82 -20.583 -1.227 20.989 1.00 31.31 H new ATOM 1340 N PHE A 83 -22.367 -3.133 19.412 1.00 14.04 N ATOM 1341 CA PHE A 83 -23.743 -2.946 19.859 1.00 22.34 C ATOM 1342 C PHE A 83 -23.795 -2.669 21.359 1.00 45.10 C ATOM 1343 O PHE A 83 -23.123 -3.334 22.149 1.00 55.52 O ATOM 1344 CB PHE A 83 -24.581 -4.183 19.529 1.00 51.11 C ATOM 1345 CG PHE A 83 -24.409 -4.663 18.116 1.00 35.53 C ATOM 1346 CD1 PHE A 83 -25.028 -4.004 17.066 1.00 1.02 C ATOM 1347 CD2 PHE A 83 -23.629 -5.774 17.838 1.00 33.22 C ATOM 1348 CE1 PHE A 83 -24.872 -4.445 15.766 1.00 52.34 C ATOM 1349 CE2 PHE A 83 -23.470 -6.219 16.539 1.00 24.34 C ATOM 1350 CZ PHE A 83 -24.091 -5.553 15.502 1.00 51.13 C ATOM 0 H PHE A 83 -21.991 -4.066 19.583 1.00 14.04 H new ATOM 0 HA PHE A 83 -24.155 -2.085 19.333 1.00 22.34 H new ATOM 0 HB2 PHE A 83 -24.312 -4.988 20.213 1.00 51.11 H new ATOM 0 HB3 PHE A 83 -25.633 -3.956 19.702 1.00 51.11 H new ATOM 0 HD1 PHE A 83 -25.639 -3.136 17.266 1.00 1.02 H new ATOM 0 HD2 PHE A 83 -23.140 -6.298 18.646 1.00 33.22 H new ATOM 0 HE1 PHE A 83 -25.361 -3.923 14.956 1.00 52.34 H new ATOM 0 HE2 PHE A 83 -22.860 -7.087 16.336 1.00 24.34 H new ATOM 0 HZ PHE A 83 -23.966 -5.898 14.486 1.00 51.13 H new ATOM 1360 N LYS A 84 -24.596 -1.682 21.745 1.00 42.44 N ATOM 1361 CA LYS A 84 -24.737 -1.315 23.149 1.00 54.44 C ATOM 1362 C LYS A 84 -26.202 -1.340 23.572 1.00 15.34 C ATOM 1363 O LYS A 84 -27.096 -1.493 22.741 1.00 51.00 O ATOM 1364 CB LYS A 84 -24.148 0.076 23.395 1.00 21.04 C ATOM 1365 CG LYS A 84 -22.910 0.368 22.565 1.00 54.24 C ATOM 1366 CD LYS A 84 -21.771 -0.576 22.910 1.00 73.45 C ATOM 1367 CE LYS A 84 -21.699 -0.839 24.406 1.00 44.20 C ATOM 1368 NZ LYS A 84 -20.542 -1.707 24.761 1.00 1.23 N ATOM 0 H LYS A 84 -25.158 -1.121 21.105 1.00 42.44 H new ATOM 0 HA LYS A 84 -24.191 -2.045 23.747 1.00 54.44 H new ATOM 0 HB2 LYS A 84 -24.907 0.827 23.176 1.00 21.04 H new ATOM 0 HB3 LYS A 84 -23.898 0.174 24.451 1.00 21.04 H new ATOM 0 HG2 LYS A 84 -23.151 0.277 21.506 1.00 54.24 H new ATOM 0 HG3 LYS A 84 -22.594 1.398 22.732 1.00 54.24 H new ATOM 0 HD2 LYS A 84 -21.905 -1.519 22.380 1.00 73.45 H new ATOM 0 HD3 LYS A 84 -20.828 -0.150 22.569 1.00 73.45 H new ATOM 0 HE2 LYS A 84 -21.619 0.109 24.938 1.00 44.20 H new ATOM 0 HE3 LYS A 84 -22.623 -1.313 24.736 1.00 44.20 H new ATOM 0 HZ1 LYS A 84 -20.528 -1.863 25.789 1.00 1.23 H new ATOM 0 HZ2 LYS A 84 -20.631 -2.621 24.273 1.00 1.23 H new ATOM 0 HZ3 LYS A 84 -19.658 -1.244 24.469 1.00 1.23 H new ATOM 1382 N ASN A 85 -26.441 -1.187 24.871 1.00 42.10 N ATOM 1383 CA ASN A 85 -27.798 -1.191 25.405 1.00 71.34 C ATOM 1384 C ASN A 85 -28.477 -2.535 25.155 1.00 44.33 C ATOM 1385 O ASN A 85 -28.649 -3.336 26.073 1.00 22.03 O ATOM 1386 CB ASN A 85 -28.621 -0.066 24.773 1.00 65.55 C ATOM 1387 CG ASN A 85 -28.261 1.297 25.331 1.00 31.22 C ATOM 1388 OD1 ASN A 85 -27.016 1.711 25.125 1.00 22.00 O flip ATOM 1389 ND2 ASN A 85 -29.093 1.969 25.941 1.00 55.24 N flip ATOM 0 H ASN A 85 -25.712 -1.059 25.573 1.00 42.10 H new ATOM 0 HA ASN A 85 -27.739 -1.028 26.481 1.00 71.34 H new ATOM 0 HB2 ASN A 85 -28.464 -0.067 23.694 1.00 65.55 H new ATOM 0 HB3 ASN A 85 -29.681 -0.256 24.941 1.00 65.55 H new ATOM 0 HD21 ASN A 85 -30.038 1.611 26.076 1.00 55.24 H new ATOM 0 HD22 ASN A 85 -28.837 2.884 26.312 1.00 55.24 H new ATOM 1396 N VAL A 86 -28.860 -2.775 23.905 1.00 44.45 N ATOM 1397 CA VAL A 86 -29.518 -4.021 23.532 1.00 24.45 C ATOM 1398 C VAL A 86 -30.320 -4.589 24.698 1.00 2.52 C ATOM 1399 O VAL A 86 -29.795 -5.345 25.515 1.00 73.22 O ATOM 1400 CB VAL A 86 -28.498 -5.076 23.064 1.00 23.31 C ATOM 1401 CG1 VAL A 86 -27.774 -4.601 21.813 1.00 31.23 C ATOM 1402 CG2 VAL A 86 -27.508 -5.390 24.176 1.00 61.32 C ATOM 0 H VAL A 86 -28.726 -2.122 23.133 1.00 44.45 H new ATOM 0 HA VAL A 86 -30.193 -3.788 22.709 1.00 24.45 H new ATOM 0 HB VAL A 86 -29.036 -5.992 22.818 1.00 23.31 H new ATOM 0 HG11 VAL A 86 -27.058 -5.359 21.497 1.00 31.23 H new ATOM 0 HG12 VAL A 86 -28.498 -4.431 21.016 1.00 31.23 H new ATOM 0 HG13 VAL A 86 -27.247 -3.671 22.028 1.00 31.23 H new ATOM 0 HG21 VAL A 86 -26.795 -6.137 23.828 1.00 61.32 H new ATOM 0 HG22 VAL A 86 -26.974 -4.481 24.455 1.00 61.32 H new ATOM 0 HG23 VAL A 86 -28.045 -5.777 25.042 1.00 61.32 H new ATOM 1412 N GLN A 87 -31.594 -4.218 24.768 1.00 12.33 N ATOM 1413 CA GLN A 87 -32.469 -4.690 25.835 1.00 51.20 C ATOM 1414 C GLN A 87 -33.233 -5.936 25.401 1.00 74.05 C ATOM 1415 O GLN A 87 -33.063 -7.011 25.973 1.00 31.42 O ATOM 1416 CB GLN A 87 -33.452 -3.590 26.242 1.00 63.34 C ATOM 1417 CG GLN A 87 -33.619 -2.505 25.191 1.00 41.32 C ATOM 1418 CD GLN A 87 -34.749 -1.548 25.515 1.00 10.41 C ATOM 1419 OE1 GLN A 87 -35.909 -1.808 25.195 1.00 53.41 O ATOM 1420 NE2 GLN A 87 -34.416 -0.432 26.154 1.00 23.42 N ATOM 0 H GLN A 87 -32.043 -3.593 24.099 1.00 12.33 H new ATOM 0 HA GLN A 87 -31.848 -4.947 26.693 1.00 51.20 H new ATOM 0 HB2 GLN A 87 -34.424 -4.040 26.446 1.00 63.34 H new ATOM 0 HB3 GLN A 87 -33.110 -3.135 27.171 1.00 63.34 H new ATOM 0 HG2 GLN A 87 -32.688 -1.945 25.101 1.00 41.32 H new ATOM 0 HG3 GLN A 87 -33.807 -2.968 24.222 1.00 41.32 H new ATOM 0 HE21 GLN A 87 -33.442 -0.257 26.400 1.00 23.42 H new ATOM 0 HE22 GLN A 87 -35.134 0.249 26.398 1.00 23.42 H new ATOM 1429 N ASN A 88 -34.077 -5.783 24.385 1.00 44.14 N ATOM 1430 CA ASN A 88 -34.868 -6.896 23.874 1.00 72.21 C ATOM 1431 C ASN A 88 -34.047 -7.753 22.915 1.00 51.55 C ATOM 1432 O ASN A 88 -34.553 -8.221 21.895 1.00 75.11 O ATOM 1433 CB ASN A 88 -36.121 -6.376 23.166 1.00 20.01 C ATOM 1434 CG ASN A 88 -37.054 -7.495 22.746 1.00 71.04 C ATOM 1435 OD1 ASN A 88 -37.808 -8.028 23.559 1.00 33.35 O ATOM 1436 ND2 ASN A 88 -37.007 -7.856 21.469 1.00 63.25 N ATOM 0 H ASN A 88 -34.230 -4.899 23.900 1.00 44.14 H new ATOM 0 HA ASN A 88 -35.167 -7.515 24.720 1.00 72.21 H new ATOM 0 HB2 ASN A 88 -36.652 -5.693 23.829 1.00 20.01 H new ATOM 0 HB3 ASN A 88 -35.827 -5.803 22.287 1.00 20.01 H new ATOM 0 HD21 ASN A 88 -37.612 -8.603 21.128 1.00 63.25 H new ATOM 0 HD22 ASN A 88 -36.366 -7.386 20.829 1.00 63.25 H new ATOM 1443 N VAL A 89 -32.776 -7.953 23.249 1.00 73.41 N ATOM 1444 CA VAL A 89 -31.885 -8.755 22.419 1.00 41.43 C ATOM 1445 C VAL A 89 -30.956 -9.608 23.275 1.00 72.32 C ATOM 1446 O VAL A 89 -30.593 -9.225 24.386 1.00 13.15 O ATOM 1447 CB VAL A 89 -31.037 -7.868 21.488 1.00 5.21 C ATOM 1448 CG1 VAL A 89 -30.306 -8.718 20.460 1.00 24.02 C ATOM 1449 CG2 VAL A 89 -31.909 -6.825 20.806 1.00 3.40 C ATOM 0 H VAL A 89 -32.340 -7.571 24.088 1.00 73.41 H new ATOM 0 HA VAL A 89 -32.516 -9.406 21.814 1.00 41.43 H new ATOM 0 HB VAL A 89 -30.292 -7.348 22.090 1.00 5.21 H new ATOM 0 HG11 VAL A 89 -29.712 -8.074 19.811 1.00 24.02 H new ATOM 0 HG12 VAL A 89 -29.650 -9.423 20.971 1.00 24.02 H new ATOM 0 HG13 VAL A 89 -31.031 -9.267 19.860 1.00 24.02 H new ATOM 0 HG21 VAL A 89 -31.293 -6.207 20.152 1.00 3.40 H new ATOM 0 HG22 VAL A 89 -32.678 -7.323 20.216 1.00 3.40 H new ATOM 0 HG23 VAL A 89 -32.381 -6.196 21.561 1.00 3.40 H new ATOM 1459 N MET A 90 -30.575 -10.768 22.749 1.00 43.41 N ATOM 1460 CA MET A 90 -29.686 -11.676 23.465 1.00 50.42 C ATOM 1461 C MET A 90 -28.296 -11.684 22.836 1.00 32.03 C ATOM 1462 O MET A 90 -27.310 -11.329 23.483 1.00 54.45 O ATOM 1463 CB MET A 90 -30.265 -13.092 23.470 1.00 40.34 C ATOM 1464 CG MET A 90 -31.754 -13.139 23.773 1.00 42.44 C ATOM 1465 SD MET A 90 -32.598 -14.475 22.904 1.00 4.41 S ATOM 1466 CE MET A 90 -32.577 -13.853 21.224 1.00 4.15 C ATOM 0 H MET A 90 -30.868 -11.101 21.830 1.00 43.41 H new ATOM 0 HA MET A 90 -29.598 -11.324 24.493 1.00 50.42 H new ATOM 0 HB2 MET A 90 -30.086 -13.552 22.498 1.00 40.34 H new ATOM 0 HB3 MET A 90 -29.733 -13.691 24.209 1.00 40.34 H new ATOM 0 HG2 MET A 90 -31.899 -13.261 24.846 1.00 42.44 H new ATOM 0 HG3 MET A 90 -32.207 -12.187 23.496 1.00 42.44 H new ATOM 0 HE1 MET A 90 -33.344 -14.361 20.639 1.00 4.15 H new ATOM 0 HE2 MET A 90 -32.775 -12.781 21.230 1.00 4.15 H new ATOM 0 HE3 MET A 90 -31.599 -14.038 20.780 1.00 4.15 H new ATOM 1476 N ASP A 91 -28.225 -12.092 21.574 1.00 31.01 N ATOM 1477 CA ASP A 91 -26.956 -12.146 20.858 1.00 3.13 C ATOM 1478 C ASP A 91 -27.164 -12.592 19.415 1.00 75.34 C ATOM 1479 O ASP A 91 -26.420 -12.195 18.518 1.00 74.41 O ATOM 1480 CB ASP A 91 -25.988 -13.097 21.564 1.00 4.53 C ATOM 1481 CG ASP A 91 -25.959 -14.472 20.927 1.00 43.20 C ATOM 1482 OD1 ASP A 91 -27.043 -15.065 20.745 1.00 41.42 O ATOM 1483 OD2 ASP A 91 -24.852 -14.955 20.610 1.00 50.04 O ATOM 0 H ASP A 91 -29.032 -12.390 21.025 1.00 31.01 H new ATOM 0 HA ASP A 91 -26.529 -11.143 20.851 1.00 3.13 H new ATOM 0 HB2 ASP A 91 -24.985 -12.670 21.545 1.00 4.53 H new ATOM 0 HB3 ASP A 91 -26.275 -13.191 22.611 1.00 4.53 H new ATOM 1488 N SER A 92 -28.181 -13.421 19.198 1.00 50.22 N ATOM 1489 CA SER A 92 -28.485 -13.925 17.864 1.00 62.41 C ATOM 1490 C SER A 92 -28.685 -12.776 16.881 1.00 52.11 C ATOM 1491 O SER A 92 -28.158 -12.798 15.769 1.00 53.00 O ATOM 1492 CB SER A 92 -29.737 -14.804 17.901 1.00 43.03 C ATOM 1493 OG SER A 92 -30.047 -15.304 16.612 1.00 63.33 O ATOM 0 H SER A 92 -28.808 -13.757 19.929 1.00 50.22 H new ATOM 0 HA SER A 92 -27.639 -14.524 17.528 1.00 62.41 H new ATOM 0 HB2 SER A 92 -29.582 -15.635 18.589 1.00 43.03 H new ATOM 0 HB3 SER A 92 -30.579 -14.227 18.283 1.00 43.03 H new ATOM 0 HG SER A 92 -30.850 -15.864 16.663 1.00 63.33 H new ATOM 1499 N GLN A 93 -29.451 -11.774 17.300 1.00 5.44 N ATOM 1500 CA GLN A 93 -29.722 -10.615 16.457 1.00 24.31 C ATOM 1501 C GLN A 93 -28.462 -9.779 16.260 1.00 3.30 C ATOM 1502 O GLN A 93 -28.186 -9.303 15.158 1.00 43.01 O ATOM 1503 CB GLN A 93 -30.827 -9.757 17.074 1.00 51.43 C ATOM 1504 CG GLN A 93 -32.210 -10.380 16.973 1.00 63.50 C ATOM 1505 CD GLN A 93 -32.515 -11.313 18.129 1.00 40.50 C ATOM 1506 OE1 GLN A 93 -32.832 -10.868 19.233 1.00 73.24 O ATOM 1507 NE2 GLN A 93 -32.421 -12.614 17.881 1.00 3.34 N ATOM 0 H GLN A 93 -29.895 -11.741 18.218 1.00 5.44 H new ATOM 0 HA GLN A 93 -30.053 -10.975 15.483 1.00 24.31 H new ATOM 0 HB2 GLN A 93 -30.594 -9.579 18.124 1.00 51.43 H new ATOM 0 HB3 GLN A 93 -30.839 -8.785 16.581 1.00 51.43 H new ATOM 0 HG2 GLN A 93 -32.959 -9.589 16.942 1.00 63.50 H new ATOM 0 HG3 GLN A 93 -32.289 -10.931 16.036 1.00 63.50 H new ATOM 0 HE21 GLN A 93 -32.155 -12.938 16.951 1.00 3.34 H new ATOM 0 HE22 GLN A 93 -32.615 -13.289 18.620 1.00 3.34 H new ATOM 1516 N LEU A 94 -27.701 -9.602 17.335 1.00 63.45 N ATOM 1517 CA LEU A 94 -26.469 -8.822 17.280 1.00 32.32 C ATOM 1518 C LEU A 94 -25.498 -9.409 16.261 1.00 4.20 C ATOM 1519 O LEU A 94 -24.957 -8.690 15.421 1.00 61.32 O ATOM 1520 CB LEU A 94 -25.811 -8.775 18.660 1.00 12.43 C ATOM 1521 CG LEU A 94 -26.128 -7.545 19.513 1.00 61.33 C ATOM 1522 CD1 LEU A 94 -27.629 -7.411 19.719 1.00 43.24 C ATOM 1523 CD2 LEU A 94 -25.409 -7.625 20.852 1.00 71.24 C ATOM 0 H LEU A 94 -27.915 -9.988 18.255 1.00 63.45 H new ATOM 0 HA LEU A 94 -26.723 -7.808 16.970 1.00 32.32 H new ATOM 0 HB2 LEU A 94 -26.112 -9.664 19.214 1.00 12.43 H new ATOM 0 HB3 LEU A 94 -24.731 -8.832 18.528 1.00 12.43 H new ATOM 0 HG LEU A 94 -25.774 -6.659 18.985 1.00 61.33 H new ATOM 0 HD11 LEU A 94 -27.836 -6.531 20.328 1.00 43.24 H new ATOM 0 HD12 LEU A 94 -28.121 -7.307 18.752 1.00 43.24 H new ATOM 0 HD13 LEU A 94 -28.008 -8.299 20.225 1.00 43.24 H new ATOM 0 HD21 LEU A 94 -25.646 -6.742 21.446 1.00 71.24 H new ATOM 0 HD22 LEU A 94 -25.732 -8.519 21.386 1.00 71.24 H new ATOM 0 HD23 LEU A 94 -24.333 -7.672 20.685 1.00 71.24 H new ATOM 1535 N GLN A 95 -25.283 -10.718 16.341 1.00 72.11 N ATOM 1536 CA GLN A 95 -24.378 -11.401 15.424 1.00 1.31 C ATOM 1537 C GLN A 95 -24.920 -11.369 13.999 1.00 15.01 C ATOM 1538 O GLN A 95 -24.158 -11.286 13.036 1.00 34.34 O ATOM 1539 CB GLN A 95 -24.164 -12.849 15.869 1.00 40.41 C ATOM 1540 CG GLN A 95 -23.585 -12.976 17.269 1.00 54.32 C ATOM 1541 CD GLN A 95 -22.936 -14.324 17.512 1.00 51.13 C ATOM 1542 OE1 GLN A 95 -23.014 -15.223 16.674 1.00 24.21 O ATOM 1543 NE2 GLN A 95 -22.291 -14.472 18.663 1.00 45.33 N ATOM 0 H GLN A 95 -25.723 -11.327 17.031 1.00 72.11 H new ATOM 0 HA GLN A 95 -23.422 -10.878 15.441 1.00 1.31 H new ATOM 0 HB2 GLN A 95 -25.117 -13.377 15.830 1.00 40.41 H new ATOM 0 HB3 GLN A 95 -23.497 -13.343 15.163 1.00 40.41 H new ATOM 0 HG2 GLN A 95 -22.848 -12.189 17.426 1.00 54.32 H new ATOM 0 HG3 GLN A 95 -24.377 -12.821 18.001 1.00 54.32 H new ATOM 0 HE21 GLN A 95 -22.252 -13.700 19.328 1.00 45.33 H new ATOM 0 HE22 GLN A 95 -21.835 -15.358 18.882 1.00 45.33 H new ATOM 1552 N MET A 96 -26.242 -11.436 13.873 1.00 43.34 N ATOM 1553 CA MET A 96 -26.886 -11.414 12.564 1.00 1.34 C ATOM 1554 C MET A 96 -26.550 -10.129 11.815 1.00 50.54 C ATOM 1555 O MET A 96 -26.323 -10.145 10.604 1.00 73.30 O ATOM 1556 CB MET A 96 -28.402 -11.548 12.717 1.00 53.24 C ATOM 1557 CG MET A 96 -29.185 -10.924 11.573 1.00 53.40 C ATOM 1558 SD MET A 96 -30.965 -10.936 11.862 1.00 51.04 S ATOM 1559 CE MET A 96 -31.229 -9.256 12.425 1.00 65.24 C ATOM 0 H MET A 96 -26.887 -11.506 14.660 1.00 43.34 H new ATOM 0 HA MET A 96 -26.510 -12.259 11.987 1.00 1.34 H new ATOM 0 HB2 MET A 96 -28.660 -12.605 12.789 1.00 53.24 H new ATOM 0 HB3 MET A 96 -28.707 -11.081 13.653 1.00 53.24 H new ATOM 0 HG2 MET A 96 -28.851 -9.897 11.427 1.00 53.40 H new ATOM 0 HG3 MET A 96 -28.967 -11.464 10.651 1.00 53.40 H new ATOM 0 HE1 MET A 96 -32.298 -9.041 12.441 1.00 65.24 H new ATOM 0 HE2 MET A 96 -30.821 -9.140 13.429 1.00 65.24 H new ATOM 0 HE3 MET A 96 -30.730 -8.563 11.748 1.00 65.24 H new ATOM 1569 N LEU A 97 -26.520 -9.016 12.540 1.00 20.23 N ATOM 1570 CA LEU A 97 -26.212 -7.721 11.943 1.00 21.32 C ATOM 1571 C LEU A 97 -24.763 -7.671 11.470 1.00 3.21 C ATOM 1572 O LEU A 97 -24.469 -7.163 10.388 1.00 43.03 O ATOM 1573 CB LEU A 97 -26.471 -6.599 12.950 1.00 51.13 C ATOM 1574 CG LEU A 97 -27.865 -6.568 13.576 1.00 35.24 C ATOM 1575 CD1 LEU A 97 -27.843 -5.804 14.891 1.00 31.22 C ATOM 1576 CD2 LEU A 97 -28.869 -5.949 12.615 1.00 40.24 C ATOM 0 H LEU A 97 -26.705 -8.984 13.543 1.00 20.23 H new ATOM 0 HA LEU A 97 -26.862 -7.582 11.079 1.00 21.32 H new ATOM 0 HB2 LEU A 97 -25.737 -6.680 13.751 1.00 51.13 H new ATOM 0 HB3 LEU A 97 -26.296 -5.645 12.453 1.00 51.13 H new ATOM 0 HG LEU A 97 -28.173 -7.594 13.780 1.00 35.24 H new ATOM 0 HD11 LEU A 97 -28.844 -5.792 15.322 1.00 31.22 H new ATOM 0 HD12 LEU A 97 -27.156 -6.291 15.583 1.00 31.22 H new ATOM 0 HD13 LEU A 97 -27.513 -4.781 14.712 1.00 31.22 H new ATOM 0 HD21 LEU A 97 -29.856 -5.936 13.078 1.00 40.24 H new ATOM 0 HD22 LEU A 97 -28.565 -4.929 12.379 1.00 40.24 H new ATOM 0 HD23 LEU A 97 -28.906 -6.538 11.699 1.00 40.24 H new ATOM 1588 N LYS A 98 -23.860 -8.203 12.287 1.00 11.33 N ATOM 1589 CA LYS A 98 -22.441 -8.222 11.952 1.00 32.32 C ATOM 1590 C LYS A 98 -22.210 -8.891 10.601 1.00 34.40 C ATOM 1591 O LYS A 98 -21.415 -8.416 9.790 1.00 35.31 O ATOM 1592 CB LYS A 98 -21.650 -8.955 13.038 1.00 43.01 C ATOM 1593 CG LYS A 98 -21.795 -8.337 14.418 1.00 61.31 C ATOM 1594 CD LYS A 98 -21.084 -6.998 14.507 1.00 45.42 C ATOM 1595 CE LYS A 98 -19.944 -7.037 15.514 1.00 70.35 C ATOM 1596 NZ LYS A 98 -18.709 -7.632 14.930 1.00 13.45 N ATOM 0 H LYS A 98 -24.086 -8.627 13.187 1.00 11.33 H new ATOM 0 HA LYS A 98 -22.093 -7.191 11.891 1.00 32.32 H new ATOM 0 HB2 LYS A 98 -21.980 -9.993 13.078 1.00 43.01 H new ATOM 0 HB3 LYS A 98 -20.595 -8.966 12.763 1.00 43.01 H new ATOM 0 HG2 LYS A 98 -22.852 -8.205 14.649 1.00 61.31 H new ATOM 0 HG3 LYS A 98 -21.388 -9.017 15.167 1.00 61.31 H new ATOM 0 HD2 LYS A 98 -20.695 -6.726 13.526 1.00 45.42 H new ATOM 0 HD3 LYS A 98 -21.797 -6.225 14.793 1.00 45.42 H new ATOM 0 HE2 LYS A 98 -19.731 -6.026 15.861 1.00 70.35 H new ATOM 0 HE3 LYS A 98 -20.249 -7.616 16.386 1.00 70.35 H new ATOM 0 HZ1 LYS A 98 -17.955 -7.641 15.647 1.00 13.45 H new ATOM 0 HZ2 LYS A 98 -18.905 -8.606 14.622 1.00 13.45 H new ATOM 0 HZ3 LYS A 98 -18.403 -7.065 14.113 1.00 13.45 H new ATOM 1610 N SER A 99 -22.912 -9.996 10.365 1.00 5.22 N ATOM 1611 CA SER A 99 -22.781 -10.731 9.113 1.00 60.22 C ATOM 1612 C SER A 99 -23.151 -9.850 7.924 1.00 51.41 C ATOM 1613 O SER A 99 -22.456 -9.836 6.908 1.00 14.14 O ATOM 1614 CB SER A 99 -23.668 -11.977 9.134 1.00 72.42 C ATOM 1615 OG SER A 99 -22.908 -13.140 9.414 1.00 61.00 O ATOM 0 H SER A 99 -23.577 -10.401 11.024 1.00 5.22 H new ATOM 0 HA SER A 99 -21.740 -11.036 9.007 1.00 60.22 H new ATOM 0 HB2 SER A 99 -24.448 -11.859 9.886 1.00 72.42 H new ATOM 0 HB3 SER A 99 -24.167 -12.088 8.171 1.00 72.42 H new ATOM 0 HG SER A 99 -23.498 -13.922 9.423 1.00 61.00 H new ATOM 1621 N GLU A 100 -24.251 -9.115 8.060 1.00 62.04 N ATOM 1622 CA GLU A 100 -24.714 -8.231 6.996 1.00 31.14 C ATOM 1623 C GLU A 100 -23.776 -7.039 6.833 1.00 51.50 C ATOM 1624 O GLU A 100 -23.664 -6.467 5.748 1.00 2.13 O ATOM 1625 CB GLU A 100 -26.133 -7.741 7.292 1.00 10.04 C ATOM 1626 CG GLU A 100 -27.174 -8.848 7.283 1.00 63.02 C ATOM 1627 CD GLU A 100 -28.305 -8.594 8.260 1.00 2.04 C ATOM 1628 OE1 GLU A 100 -28.085 -7.858 9.245 1.00 23.51 O ATOM 1629 OE2 GLU A 100 -29.411 -9.131 8.040 1.00 64.03 O ATOM 0 H GLU A 100 -24.837 -9.114 8.895 1.00 62.04 H new ATOM 0 HA GLU A 100 -24.720 -8.797 6.064 1.00 31.14 H new ATOM 0 HB2 GLU A 100 -26.144 -7.252 8.266 1.00 10.04 H new ATOM 0 HB3 GLU A 100 -26.409 -6.988 6.554 1.00 10.04 H new ATOM 0 HG2 GLU A 100 -27.583 -8.948 6.278 1.00 63.02 H new ATOM 0 HG3 GLU A 100 -26.694 -9.795 7.528 1.00 63.02 H new ATOM 1636 N PHE A 101 -23.105 -6.668 7.918 1.00 23.34 N ATOM 1637 CA PHE A 101 -22.177 -5.543 7.897 1.00 74.11 C ATOM 1638 C PHE A 101 -21.063 -5.776 6.880 1.00 15.43 C ATOM 1639 O PHE A 101 -20.510 -4.829 6.320 1.00 13.13 O ATOM 1640 CB PHE A 101 -21.577 -5.323 9.287 1.00 62.10 C ATOM 1641 CG PHE A 101 -22.586 -4.901 10.316 1.00 32.21 C ATOM 1642 CD1 PHE A 101 -23.911 -4.698 9.964 1.00 3.11 C ATOM 1643 CD2 PHE A 101 -22.210 -4.707 11.636 1.00 72.24 C ATOM 1644 CE1 PHE A 101 -24.842 -4.310 10.909 1.00 52.13 C ATOM 1645 CE2 PHE A 101 -23.137 -4.320 12.585 1.00 52.24 C ATOM 1646 CZ PHE A 101 -24.455 -4.120 12.221 1.00 45.45 C ATOM 0 H PHE A 101 -23.186 -7.130 8.824 1.00 23.34 H new ATOM 0 HA PHE A 101 -22.732 -4.652 7.604 1.00 74.11 H new ATOM 0 HB2 PHE A 101 -21.097 -6.245 9.617 1.00 62.10 H new ATOM 0 HB3 PHE A 101 -20.798 -4.564 9.221 1.00 62.10 H new ATOM 0 HD1 PHE A 101 -24.220 -4.845 8.939 1.00 3.11 H new ATOM 0 HD2 PHE A 101 -21.181 -4.860 11.926 1.00 72.24 H new ATOM 0 HE1 PHE A 101 -25.872 -4.155 10.622 1.00 52.13 H new ATOM 0 HE2 PHE A 101 -22.832 -4.174 13.611 1.00 52.24 H new ATOM 0 HZ PHE A 101 -25.181 -3.816 12.961 1.00 45.45 H new ATOM 1656 N LYS A 102 -20.739 -7.043 6.647 1.00 3.31 N ATOM 1657 CA LYS A 102 -19.692 -7.402 5.698 1.00 22.51 C ATOM 1658 C LYS A 102 -20.150 -7.157 4.264 1.00 62.31 C ATOM 1659 O LYS A 102 -19.400 -6.629 3.443 1.00 5.43 O ATOM 1660 CB LYS A 102 -19.297 -8.870 5.875 1.00 72.51 C ATOM 1661 CG LYS A 102 -17.926 -9.203 5.314 1.00 64.53 C ATOM 1662 CD LYS A 102 -17.284 -10.362 6.059 1.00 12.44 C ATOM 1663 CE LYS A 102 -16.672 -9.907 7.375 1.00 0.43 C ATOM 1664 NZ LYS A 102 -16.593 -11.017 8.364 1.00 34.41 N ATOM 0 H LYS A 102 -21.186 -7.839 7.102 1.00 3.31 H new ATOM 0 HA LYS A 102 -18.825 -6.772 5.896 1.00 22.51 H new ATOM 0 HB2 LYS A 102 -19.316 -9.117 6.936 1.00 72.51 H new ATOM 0 HB3 LYS A 102 -20.042 -9.499 5.388 1.00 72.51 H new ATOM 0 HG2 LYS A 102 -18.016 -9.454 4.257 1.00 64.53 H new ATOM 0 HG3 LYS A 102 -17.282 -8.326 5.380 1.00 64.53 H new ATOM 0 HD2 LYS A 102 -18.032 -11.132 6.251 1.00 12.44 H new ATOM 0 HD3 LYS A 102 -16.513 -10.815 5.435 1.00 12.44 H new ATOM 0 HE2 LYS A 102 -15.673 -9.511 7.193 1.00 0.43 H new ATOM 0 HE3 LYS A 102 -17.267 -9.093 7.790 1.00 0.43 H new ATOM 0 HZ1 LYS A 102 -16.170 -10.666 9.247 1.00 34.41 H new ATOM 0 HZ2 LYS A 102 -17.549 -11.378 8.557 1.00 34.41 H new ATOM 0 HZ3 LYS A 102 -16.005 -11.783 7.979 1.00 34.41 H new ATOM 1678 N LYS A 103 -21.386 -7.544 3.968 1.00 13.54 N ATOM 1679 CA LYS A 103 -21.946 -7.364 2.634 1.00 13.52 C ATOM 1680 C LYS A 103 -22.179 -5.886 2.337 1.00 51.33 C ATOM 1681 O LYS A 103 -21.882 -5.409 1.241 1.00 64.52 O ATOM 1682 CB LYS A 103 -23.262 -8.135 2.503 1.00 43.54 C ATOM 1683 CG LYS A 103 -24.118 -7.681 1.333 1.00 12.11 C ATOM 1684 CD LYS A 103 -25.473 -8.368 1.335 1.00 72.55 C ATOM 1685 CE LYS A 103 -26.490 -7.595 2.160 1.00 41.11 C ATOM 1686 NZ LYS A 103 -26.765 -6.250 1.583 1.00 4.20 N ATOM 0 H LYS A 103 -22.020 -7.985 4.635 1.00 13.54 H new ATOM 0 HA LYS A 103 -21.230 -7.754 1.911 1.00 13.52 H new ATOM 0 HB2 LYS A 103 -23.042 -9.197 2.391 1.00 43.54 H new ATOM 0 HB3 LYS A 103 -23.833 -8.023 3.425 1.00 43.54 H new ATOM 0 HG2 LYS A 103 -24.256 -6.601 1.380 1.00 12.11 H new ATOM 0 HG3 LYS A 103 -23.601 -7.896 0.398 1.00 12.11 H new ATOM 0 HD2 LYS A 103 -25.833 -8.467 0.311 1.00 72.55 H new ATOM 0 HD3 LYS A 103 -25.370 -9.377 1.735 1.00 72.55 H new ATOM 0 HE2 LYS A 103 -27.419 -8.163 2.216 1.00 41.11 H new ATOM 0 HE3 LYS A 103 -26.122 -7.484 3.180 1.00 41.11 H new ATOM 0 HZ1 LYS A 103 -27.723 -5.947 1.850 1.00 4.20 H new ATOM 0 HZ2 LYS A 103 -26.071 -5.567 1.949 1.00 4.20 H new ATOM 0 HZ3 LYS A 103 -26.693 -6.296 0.547 1.00 4.20 H new ATOM 1700 N ILE A 104 -22.711 -5.166 3.319 1.00 44.32 N ATOM 1701 CA ILE A 104 -22.980 -3.742 3.162 1.00 51.11 C ATOM 1702 C ILE A 104 -21.692 -2.962 2.923 1.00 40.35 C ATOM 1703 O ILE A 104 -21.615 -2.133 2.015 1.00 1.20 O ATOM 1704 CB ILE A 104 -23.694 -3.165 4.398 1.00 15.42 C ATOM 1705 CG1 ILE A 104 -25.171 -3.564 4.394 1.00 74.42 C ATOM 1706 CG2 ILE A 104 -23.550 -1.650 4.434 1.00 31.54 C ATOM 1707 CD1 ILE A 104 -25.653 -4.111 5.720 1.00 54.45 C ATOM 0 H ILE A 104 -22.964 -5.545 4.231 1.00 44.32 H new ATOM 0 HA ILE A 104 -23.631 -3.638 2.294 1.00 51.11 H new ATOM 0 HB ILE A 104 -23.228 -3.577 5.293 1.00 15.42 H new ATOM 0 HG12 ILE A 104 -25.773 -2.695 4.128 1.00 74.42 H new ATOM 0 HG13 ILE A 104 -25.334 -4.314 3.620 1.00 74.42 H new ATOM 0 HG21 ILE A 104 -24.060 -1.257 5.313 1.00 31.54 H new ATOM 0 HG22 ILE A 104 -22.493 -1.386 4.479 1.00 31.54 H new ATOM 0 HG23 ILE A 104 -23.993 -1.221 3.535 1.00 31.54 H new ATOM 0 HD11 ILE A 104 -26.708 -4.373 5.644 1.00 54.45 H new ATOM 0 HD12 ILE A 104 -25.076 -4.999 5.978 1.00 54.45 H new ATOM 0 HD13 ILE A 104 -25.522 -3.355 6.495 1.00 54.45 H new ATOM 1719 N HIS A 105 -20.681 -3.234 3.742 1.00 41.44 N ATOM 1720 CA HIS A 105 -19.394 -2.559 3.618 1.00 42.34 C ATOM 1721 C HIS A 105 -18.743 -2.872 2.273 1.00 15.25 C ATOM 1722 O HIS A 105 -18.181 -1.991 1.625 1.00 1.42 O ATOM 1723 CB HIS A 105 -18.464 -2.976 4.757 1.00 5.10 C ATOM 1724 CG HIS A 105 -17.214 -2.154 4.842 1.00 53.02 C ATOM 1725 ND1 HIS A 105 -16.288 -2.085 3.823 1.00 52.15 N ATOM 1726 CD2 HIS A 105 -16.741 -1.362 5.832 1.00 13.03 C ATOM 1727 CE1 HIS A 105 -15.299 -1.287 4.183 1.00 63.40 C ATOM 1728 NE2 HIS A 105 -15.550 -0.835 5.398 1.00 24.24 N ATOM 0 H HIS A 105 -20.728 -3.917 4.498 1.00 41.44 H new ATOM 0 HA HIS A 105 -19.568 -1.485 3.676 1.00 42.34 H new ATOM 0 HB2 HIS A 105 -19.003 -2.901 5.701 1.00 5.10 H new ATOM 0 HB3 HIS A 105 -18.192 -4.024 4.628 1.00 5.10 H new ATOM 0 HD1 HIS A 105 -16.356 -2.574 2.930 1.00 52.15 H new ATOM 0 HD2 HIS A 105 -17.213 -1.179 6.786 1.00 13.03 H new ATOM 0 HE1 HIS A 105 -14.433 -1.045 3.585 1.00 63.40 H new ATOM 1736 N ASN A 106 -18.824 -4.133 1.862 1.00 74.01 N ATOM 1737 CA ASN A 106 -18.242 -4.563 0.595 1.00 14.55 C ATOM 1738 C ASN A 106 -18.814 -3.757 -0.567 1.00 51.30 C ATOM 1739 O ASN A 106 -18.089 -3.363 -1.481 1.00 63.43 O ATOM 1740 CB ASN A 106 -18.500 -6.054 0.372 1.00 64.10 C ATOM 1741 CG ASN A 106 -17.215 -6.855 0.281 1.00 30.14 C ATOM 1742 OD1 ASN A 106 -16.704 -7.108 -0.810 1.00 21.14 O ATOM 1743 ND2 ASN A 106 -16.687 -7.258 1.431 1.00 32.52 N ATOM 0 H ASN A 106 -19.287 -4.875 2.387 1.00 74.01 H new ATOM 0 HA ASN A 106 -17.167 -4.390 0.640 1.00 14.55 H new ATOM 0 HB2 ASN A 106 -19.109 -6.441 1.189 1.00 64.10 H new ATOM 0 HB3 ASN A 106 -19.074 -6.188 -0.545 1.00 64.10 H new ATOM 0 HD21 ASN A 106 -15.823 -7.800 1.433 1.00 32.52 H new ATOM 0 HD22 ASN A 106 -17.145 -7.025 2.312 1.00 32.52 H new ATOM 1750 N THR A 107 -20.120 -3.513 -0.526 1.00 35.35 N ATOM 1751 CA THR A 107 -20.790 -2.755 -1.575 1.00 34.25 C ATOM 1752 C THR A 107 -20.658 -1.255 -1.339 1.00 12.04 C ATOM 1753 O THR A 107 -20.899 -0.452 -2.240 1.00 3.32 O ATOM 1754 CB THR A 107 -22.284 -3.120 -1.664 1.00 53.53 C ATOM 1755 OG1 THR A 107 -22.911 -2.365 -2.708 1.00 23.31 O ATOM 1756 CG2 THR A 107 -22.988 -2.848 -0.343 1.00 61.11 C ATOM 0 H THR A 107 -20.735 -3.830 0.223 1.00 35.35 H new ATOM 0 HA THR A 107 -20.303 -3.016 -2.515 1.00 34.25 H new ATOM 0 HB THR A 107 -22.362 -4.184 -1.887 1.00 53.53 H new ATOM 0 HG1 THR A 107 -22.347 -1.598 -2.941 1.00 23.31 H new ATOM 0 HG21 THR A 107 -24.042 -3.113 -0.431 1.00 61.11 H new ATOM 0 HG22 THR A 107 -22.528 -3.445 0.444 1.00 61.11 H new ATOM 0 HG23 THR A 107 -22.900 -1.790 -0.095 1.00 61.11 H new ATOM 1764 N SER A 108 -20.274 -0.884 -0.122 1.00 3.43 N ATOM 1765 CA SER A 108 -20.112 0.522 0.233 1.00 34.54 C ATOM 1766 C SER A 108 -18.710 0.788 0.772 1.00 50.33 C ATOM 1767 O SER A 108 -18.539 1.495 1.765 1.00 23.44 O ATOM 1768 CB SER A 108 -21.157 0.929 1.274 1.00 3.54 C ATOM 1769 OG SER A 108 -22.413 0.337 0.996 1.00 73.25 O ATOM 0 H SER A 108 -20.069 -1.537 0.635 1.00 3.43 H new ATOM 0 HA SER A 108 -20.255 1.118 -0.668 1.00 34.54 H new ATOM 0 HB2 SER A 108 -20.822 0.628 2.267 1.00 3.54 H new ATOM 0 HB3 SER A 108 -21.258 2.014 1.287 1.00 3.54 H new ATOM 0 HG SER A 108 -22.458 -0.547 1.416 1.00 73.25 H new ATOM 1775 N ARG A 109 -17.710 0.218 0.108 1.00 21.30 N ATOM 1776 CA ARG A 109 -16.322 0.392 0.520 1.00 52.05 C ATOM 1777 C ARG A 109 -15.699 1.604 -0.168 1.00 35.24 C ATOM 1778 O ARG A 109 -15.023 1.473 -1.186 1.00 65.25 O ATOM 1779 CB ARG A 109 -15.511 -0.864 0.196 1.00 5.24 C ATOM 1780 CG ARG A 109 -14.019 -0.706 0.445 1.00 34.13 C ATOM 1781 CD ARG A 109 -13.381 -2.023 0.857 1.00 30.34 C ATOM 1782 NE ARG A 109 -12.339 -1.835 1.863 1.00 64.32 N ATOM 1783 CZ ARG A 109 -11.670 -2.836 2.424 1.00 31.54 C ATOM 1784 NH1 ARG A 109 -11.934 -4.089 2.080 1.00 23.52 N ATOM 1785 NH2 ARG A 109 -10.735 -2.585 3.332 1.00 73.10 N ATOM 0 H ARG A 109 -17.835 -0.368 -0.717 1.00 21.30 H new ATOM 0 HA ARG A 109 -16.307 0.559 1.597 1.00 52.05 H new ATOM 0 HB2 ARG A 109 -15.885 -1.693 0.797 1.00 5.24 H new ATOM 0 HB3 ARG A 109 -15.670 -1.130 -0.849 1.00 5.24 H new ATOM 0 HG2 ARG A 109 -13.536 -0.333 -0.458 1.00 34.13 H new ATOM 0 HG3 ARG A 109 -13.856 0.038 1.224 1.00 34.13 H new ATOM 0 HD2 ARG A 109 -14.148 -2.690 1.250 1.00 30.34 H new ATOM 0 HD3 ARG A 109 -12.954 -2.509 -0.020 1.00 30.34 H new ATOM 0 HE ARG A 109 -12.113 -0.883 2.151 1.00 64.32 H new ATOM 0 HH11 ARG A 109 -12.652 -4.286 1.383 1.00 23.52 H new ATOM 0 HH12 ARG A 109 -11.419 -4.856 2.512 1.00 23.52 H new ATOM 0 HH21 ARG A 109 -10.529 -1.622 3.600 1.00 73.10 H new ATOM 0 HH22 ARG A 109 -10.222 -3.355 3.762 1.00 73.10 H new ATOM 1799 N GLY A 110 -15.934 2.784 0.398 1.00 53.21 N ATOM 1800 CA GLY A 110 -15.390 4.002 -0.174 1.00 14.01 C ATOM 1801 C GLY A 110 -16.400 5.133 -0.198 1.00 22.43 C ATOM 1802 O GLY A 110 -16.073 6.256 -0.578 1.00 41.25 O ATOM 0 H GLY A 110 -16.491 2.918 1.242 1.00 53.21 H new ATOM 0 HA2 GLY A 110 -14.517 4.311 0.400 1.00 14.01 H new ATOM 0 HA3 GLY A 110 -15.049 3.802 -1.190 1.00 14.01 H new ATOM 1806 N GLN A 111 -17.630 4.834 0.208 1.00 3.44 N ATOM 1807 CA GLN A 111 -18.690 5.835 0.229 1.00 33.35 C ATOM 1808 C GLN A 111 -19.173 6.086 1.654 1.00 14.10 C ATOM 1809 O GLN A 111 -18.595 6.892 2.382 1.00 51.43 O ATOM 1810 CB GLN A 111 -19.861 5.386 -0.647 1.00 0.00 C ATOM 1811 CG GLN A 111 -19.530 5.344 -2.130 1.00 4.00 C ATOM 1812 CD GLN A 111 -19.347 6.726 -2.727 1.00 33.34 C ATOM 1813 OE1 GLN A 111 -20.260 7.272 -3.346 1.00 52.33 O ATOM 1814 NE2 GLN A 111 -18.164 7.299 -2.542 1.00 62.13 N ATOM 0 H GLN A 111 -17.917 3.908 0.526 1.00 3.44 H new ATOM 0 HA GLN A 111 -18.285 6.766 -0.167 1.00 33.35 H new ATOM 0 HB2 GLN A 111 -20.184 4.395 -0.327 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -20.702 6.062 -0.490 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -18.619 4.765 -2.279 1.00 4.00 H new ATOM 0 HG3 GLN A 111 -20.328 4.825 -2.662 1.00 4.00 H new ATOM 0 HE21 GLN A 111 -17.436 6.809 -2.022 1.00 62.13 H new ATOM 0 HE22 GLN A 111 -17.983 8.229 -2.920 1.00 62.13 H new ATOM 1823 N GLU A 112 -20.237 5.391 2.045 1.00 62.44 N ATOM 1824 CA GLU A 112 -20.798 5.540 3.382 1.00 4.32 C ATOM 1825 C GLU A 112 -21.428 4.234 3.857 1.00 10.33 C ATOM 1826 O GLU A 112 -22.204 3.609 3.134 1.00 21.43 O ATOM 1827 CB GLU A 112 -21.841 6.659 3.400 1.00 53.15 C ATOM 1828 CG GLU A 112 -21.382 7.931 2.707 1.00 61.14 C ATOM 1829 CD GLU A 112 -22.497 8.948 2.554 1.00 24.52 C ATOM 1830 OE1 GLU A 112 -23.666 8.531 2.418 1.00 63.13 O ATOM 1831 OE2 GLU A 112 -22.199 10.160 2.572 1.00 40.43 O ATOM 0 H GLU A 112 -20.727 4.719 1.454 1.00 62.44 H new ATOM 0 HA GLU A 112 -19.986 5.799 4.062 1.00 4.32 H new ATOM 0 HB2 GLU A 112 -22.752 6.302 2.920 1.00 53.15 H new ATOM 0 HB3 GLU A 112 -22.095 6.890 4.434 1.00 53.15 H new ATOM 0 HG2 GLU A 112 -20.565 8.376 3.276 1.00 61.14 H new ATOM 0 HG3 GLU A 112 -20.986 7.681 1.723 1.00 61.14 H new ATOM 1838 N ILE A 113 -21.088 3.829 5.076 1.00 14.43 N ATOM 1839 CA ILE A 113 -21.621 2.599 5.648 1.00 21.01 C ATOM 1840 C ILE A 113 -22.368 2.875 6.948 1.00 14.42 C ATOM 1841 O ILE A 113 -23.038 1.996 7.490 1.00 73.42 O ATOM 1842 CB ILE A 113 -20.503 1.574 5.919 1.00 15.54 C ATOM 1843 CG1 ILE A 113 -19.672 2.003 7.130 1.00 21.23 C ATOM 1844 CG2 ILE A 113 -19.619 1.418 4.691 1.00 31.34 C ATOM 1845 CD1 ILE A 113 -18.599 1.006 7.510 1.00 52.23 C ATOM 0 H ILE A 113 -20.446 4.335 5.686 1.00 14.43 H new ATOM 0 HA ILE A 113 -22.314 2.185 4.915 1.00 21.01 H new ATOM 0 HB ILE A 113 -20.959 0.609 6.138 1.00 15.54 H new ATOM 0 HG12 ILE A 113 -19.205 2.964 6.918 1.00 21.23 H new ATOM 0 HG13 ILE A 113 -20.336 2.153 7.982 1.00 21.23 H new ATOM 0 HG21 ILE A 113 -18.834 0.691 4.898 1.00 31.34 H new ATOM 0 HG22 ILE A 113 -20.221 1.073 3.851 1.00 31.34 H new ATOM 0 HG23 ILE A 113 -19.168 2.379 4.443 1.00 31.34 H new ATOM 0 HD11 ILE A 113 -18.050 1.375 8.376 1.00 52.23 H new ATOM 0 HD12 ILE A 113 -19.061 0.050 7.754 1.00 52.23 H new ATOM 0 HD13 ILE A 113 -17.912 0.874 6.674 1.00 52.23 H new ATOM 1857 N ILE A 114 -22.250 4.103 7.443 1.00 53.15 N ATOM 1858 CA ILE A 114 -22.917 4.496 8.677 1.00 13.25 C ATOM 1859 C ILE A 114 -24.433 4.477 8.514 1.00 73.42 C ATOM 1860 O ILE A 114 -25.154 3.958 9.367 1.00 0.50 O ATOM 1861 CB ILE A 114 -22.479 5.901 9.131 1.00 14.32 C ATOM 1862 CG1 ILE A 114 -20.953 6.009 9.130 1.00 71.12 C ATOM 1863 CG2 ILE A 114 -23.036 6.209 10.513 1.00 13.31 C ATOM 1864 CD1 ILE A 114 -20.279 5.057 10.093 1.00 34.03 C ATOM 0 H ILE A 114 -21.698 4.842 7.008 1.00 53.15 H new ATOM 0 HA ILE A 114 -22.627 3.770 9.437 1.00 13.25 H new ATOM 0 HB ILE A 114 -22.877 6.634 8.429 1.00 14.32 H new ATOM 0 HG12 ILE A 114 -20.584 5.816 8.123 1.00 71.12 H new ATOM 0 HG13 ILE A 114 -20.669 7.030 9.383 1.00 71.12 H new ATOM 0 HG21 ILE A 114 -22.718 7.205 10.820 1.00 13.31 H new ATOM 0 HG22 ILE A 114 -24.125 6.169 10.484 1.00 13.31 H new ATOM 0 HG23 ILE A 114 -22.665 5.474 11.227 1.00 13.31 H new ATOM 0 HD11 ILE A 114 -19.198 5.189 10.039 1.00 34.03 H new ATOM 0 HD12 ILE A 114 -20.619 5.264 11.108 1.00 34.03 H new ATOM 0 HD13 ILE A 114 -20.533 4.031 9.828 1.00 34.03 H new ATOM 1876 N PHE A 115 -24.911 5.043 7.411 1.00 51.03 N ATOM 1877 CA PHE A 115 -26.342 5.090 7.134 1.00 51.12 C ATOM 1878 C PHE A 115 -26.865 3.713 6.737 1.00 62.42 C ATOM 1879 O PHE A 115 -27.997 3.352 7.057 1.00 61.34 O ATOM 1880 CB PHE A 115 -26.635 6.099 6.021 1.00 1.14 C ATOM 1881 CG PHE A 115 -28.087 6.469 5.915 1.00 44.22 C ATOM 1882 CD1 PHE A 115 -28.701 7.212 6.910 1.00 3.41 C ATOM 1883 CD2 PHE A 115 -28.837 6.075 4.819 1.00 32.40 C ATOM 1884 CE1 PHE A 115 -30.037 7.554 6.815 1.00 64.54 C ATOM 1885 CE2 PHE A 115 -30.173 6.413 4.718 1.00 55.11 C ATOM 1886 CZ PHE A 115 -30.774 7.155 5.717 1.00 64.53 C ATOM 0 H PHE A 115 -24.328 5.476 6.694 1.00 51.03 H new ATOM 0 HA PHE A 115 -26.852 5.405 8.044 1.00 51.12 H new ATOM 0 HB2 PHE A 115 -26.050 7.002 6.197 1.00 1.14 H new ATOM 0 HB3 PHE A 115 -26.303 5.684 5.069 1.00 1.14 H new ATOM 0 HD1 PHE A 115 -28.129 7.528 7.770 1.00 3.41 H new ATOM 0 HD2 PHE A 115 -28.372 5.497 4.034 1.00 32.40 H new ATOM 0 HE1 PHE A 115 -30.504 8.132 7.598 1.00 64.54 H new ATOM 0 HE2 PHE A 115 -30.747 6.098 3.859 1.00 55.11 H new ATOM 0 HZ PHE A 115 -31.818 7.422 5.639 1.00 64.53 H new ATOM 1896 N GLU A 116 -26.031 2.949 6.038 1.00 72.34 N ATOM 1897 CA GLU A 116 -26.410 1.612 5.596 1.00 61.33 C ATOM 1898 C GLU A 116 -26.551 0.665 6.784 1.00 3.34 C ATOM 1899 O GLU A 116 -27.538 -0.061 6.899 1.00 15.14 O ATOM 1900 CB GLU A 116 -25.374 1.063 4.613 1.00 62.24 C ATOM 1901 CG GLU A 116 -25.091 1.992 3.444 1.00 14.11 C ATOM 1902 CD GLU A 116 -26.207 1.993 2.417 1.00 11.50 C ATOM 1903 OE1 GLU A 116 -27.378 1.812 2.813 1.00 25.03 O ATOM 1904 OE2 GLU A 116 -25.910 2.176 1.218 1.00 72.30 O ATOM 0 H GLU A 116 -25.090 3.233 5.766 1.00 72.34 H new ATOM 0 HA GLU A 116 -27.375 1.684 5.094 1.00 61.33 H new ATOM 0 HB2 GLU A 116 -24.444 0.872 5.148 1.00 62.24 H new ATOM 0 HB3 GLU A 116 -25.723 0.105 4.228 1.00 62.24 H new ATOM 0 HG2 GLU A 116 -24.945 3.006 3.817 1.00 14.11 H new ATOM 0 HG3 GLU A 116 -24.160 1.692 2.963 1.00 14.11 H new ATOM 1911 N ILE A 117 -25.556 0.679 7.665 1.00 2.21 N ATOM 1912 CA ILE A 117 -25.569 -0.177 8.845 1.00 44.32 C ATOM 1913 C ILE A 117 -26.729 0.178 9.769 1.00 62.22 C ATOM 1914 O ILE A 117 -27.377 -0.702 10.337 1.00 61.04 O ATOM 1915 CB ILE A 117 -24.249 -0.070 9.632 1.00 71.20 C ATOM 1916 CG1 ILE A 117 -23.950 -1.388 10.349 1.00 63.43 C ATOM 1917 CG2 ILE A 117 -24.318 1.077 10.629 1.00 52.13 C ATOM 1918 CD1 ILE A 117 -22.504 -1.821 10.239 1.00 13.12 C ATOM 0 H ILE A 117 -24.731 1.273 7.584 1.00 2.21 H new ATOM 0 HA ILE A 117 -25.690 -1.201 8.491 1.00 44.32 H new ATOM 0 HB ILE A 117 -23.440 0.133 8.930 1.00 71.20 H new ATOM 0 HG12 ILE A 117 -24.211 -1.287 11.402 1.00 63.43 H new ATOM 0 HG13 ILE A 117 -24.587 -2.170 9.936 1.00 63.43 H new ATOM 0 HG21 ILE A 117 -23.378 1.140 11.177 1.00 52.13 H new ATOM 0 HG22 ILE A 117 -24.490 2.012 10.096 1.00 52.13 H new ATOM 0 HG23 ILE A 117 -25.135 0.902 11.329 1.00 52.13 H new ATOM 0 HD11 ILE A 117 -22.365 -2.763 10.770 1.00 13.12 H new ATOM 0 HD12 ILE A 117 -22.243 -1.955 9.189 1.00 13.12 H new ATOM 0 HD13 ILE A 117 -21.861 -1.058 10.678 1.00 13.12 H new ATOM 1930 N THR A 118 -26.988 1.474 9.914 1.00 24.23 N ATOM 1931 CA THR A 118 -28.070 1.946 10.768 1.00 31.35 C ATOM 1932 C THR A 118 -29.430 1.569 10.191 1.00 2.33 C ATOM 1933 O THR A 118 -30.321 1.126 10.915 1.00 21.45 O ATOM 1934 CB THR A 118 -28.011 3.473 10.958 1.00 4.23 C ATOM 1935 OG1 THR A 118 -28.268 4.132 9.713 1.00 35.04 O ATOM 1936 CG2 THR A 118 -26.651 3.900 11.492 1.00 73.34 C ATOM 0 H THR A 118 -26.463 2.215 9.451 1.00 24.23 H new ATOM 0 HA THR A 118 -27.942 1.462 11.736 1.00 31.35 H new ATOM 0 HB THR A 118 -28.774 3.756 11.683 1.00 4.23 H new ATOM 0 HG1 THR A 118 -29.018 4.753 9.820 1.00 35.04 H new ATOM 0 HG21 THR A 118 -26.633 4.983 11.618 1.00 73.34 H new ATOM 0 HG22 THR A 118 -26.471 3.420 12.454 1.00 73.34 H new ATOM 0 HG23 THR A 118 -25.874 3.604 10.787 1.00 73.34 H new ATOM 1944 N SER A 119 -29.583 1.749 8.883 1.00 25.32 N ATOM 1945 CA SER A 119 -30.836 1.430 8.209 1.00 2.51 C ATOM 1946 C SER A 119 -31.082 -0.075 8.203 1.00 71.23 C ATOM 1947 O SER A 119 -32.193 -0.535 8.466 1.00 75.24 O ATOM 1948 CB SER A 119 -30.817 1.962 6.775 1.00 71.35 C ATOM 1949 OG SER A 119 -32.118 2.329 6.350 1.00 51.13 O ATOM 0 H SER A 119 -28.855 2.114 8.269 1.00 25.32 H new ATOM 0 HA SER A 119 -31.647 1.910 8.756 1.00 2.51 H new ATOM 0 HB2 SER A 119 -30.154 2.825 6.713 1.00 71.35 H new ATOM 0 HB3 SER A 119 -30.414 1.201 6.107 1.00 71.35 H new ATOM 0 HG SER A 119 -32.079 2.667 5.431 1.00 51.13 H new ATOM 1955 N PHE A 120 -30.037 -0.838 7.900 1.00 21.03 N ATOM 1956 CA PHE A 120 -30.138 -2.292 7.858 1.00 33.12 C ATOM 1957 C PHE A 120 -30.540 -2.849 9.221 1.00 63.11 C ATOM 1958 O PHE A 120 -31.462 -3.658 9.327 1.00 20.34 O ATOM 1959 CB PHE A 120 -28.808 -2.905 7.416 1.00 2.21 C ATOM 1960 CG PHE A 120 -28.966 -4.071 6.483 1.00 45.03 C ATOM 1961 CD1 PHE A 120 -29.112 -5.357 6.978 1.00 41.31 C ATOM 1962 CD2 PHE A 120 -28.968 -3.881 5.110 1.00 30.42 C ATOM 1963 CE1 PHE A 120 -29.256 -6.432 6.121 1.00 14.51 C ATOM 1964 CE2 PHE A 120 -29.113 -4.952 4.248 1.00 24.44 C ATOM 1965 CZ PHE A 120 -29.258 -6.229 4.755 1.00 71.02 C ATOM 0 H PHE A 120 -29.110 -0.473 7.680 1.00 21.03 H new ATOM 0 HA PHE A 120 -30.910 -2.557 7.135 1.00 33.12 H new ATOM 0 HB2 PHE A 120 -28.208 -2.137 6.927 1.00 2.21 H new ATOM 0 HB3 PHE A 120 -28.255 -3.228 8.298 1.00 2.21 H new ATOM 0 HD1 PHE A 120 -29.113 -5.521 8.045 1.00 41.31 H new ATOM 0 HD2 PHE A 120 -28.855 -2.885 4.709 1.00 30.42 H new ATOM 0 HE1 PHE A 120 -29.367 -7.430 6.519 1.00 14.51 H new ATOM 0 HE2 PHE A 120 -29.113 -4.791 3.180 1.00 24.44 H new ATOM 0 HZ PHE A 120 -29.373 -7.067 4.084 1.00 71.02 H new ATOM 1975 N THR A 121 -29.840 -2.410 10.263 1.00 63.25 N ATOM 1976 CA THR A 121 -30.121 -2.865 11.618 1.00 5.14 C ATOM 1977 C THR A 121 -31.548 -2.522 12.029 1.00 41.32 C ATOM 1978 O THR A 121 -32.228 -3.322 12.671 1.00 44.12 O ATOM 1979 CB THR A 121 -29.143 -2.243 12.633 1.00 0.13 C ATOM 1980 OG1 THR A 121 -29.223 -0.814 12.579 1.00 73.23 O ATOM 1981 CG2 THR A 121 -27.715 -2.687 12.352 1.00 54.34 C ATOM 0 H THR A 121 -29.074 -1.740 10.193 1.00 63.25 H new ATOM 0 HA THR A 121 -29.996 -3.948 11.620 1.00 5.14 H new ATOM 0 HB THR A 121 -29.423 -2.585 13.629 1.00 0.13 H new ATOM 0 HG1 THR A 121 -28.756 -0.490 11.781 1.00 73.23 H new ATOM 0 HG21 THR A 121 -27.043 -2.235 13.082 1.00 54.34 H new ATOM 0 HG22 THR A 121 -27.651 -3.773 12.424 1.00 54.34 H new ATOM 0 HG23 THR A 121 -27.427 -2.372 11.349 1.00 54.34 H new ATOM 1989 N GLN A 122 -31.996 -1.328 11.654 1.00 42.14 N ATOM 1990 CA GLN A 122 -33.344 -0.880 11.984 1.00 44.14 C ATOM 1991 C GLN A 122 -34.388 -1.696 11.230 1.00 74.11 C ATOM 1992 O GLN A 122 -35.328 -2.221 11.827 1.00 64.23 O ATOM 1993 CB GLN A 122 -33.505 0.605 11.655 1.00 41.32 C ATOM 1994 CG GLN A 122 -34.410 1.348 12.625 1.00 44.35 C ATOM 1995 CD GLN A 122 -35.860 0.920 12.514 1.00 2.43 C ATOM 1996 OE1 GLN A 122 -36.285 -0.044 13.151 1.00 4.03 O ATOM 1997 NE2 GLN A 122 -36.629 1.637 11.703 1.00 2.32 N ATOM 0 H GLN A 122 -31.446 -0.654 11.122 1.00 42.14 H new ATOM 0 HA GLN A 122 -33.497 -1.027 13.053 1.00 44.14 H new ATOM 0 HB2 GLN A 122 -32.522 1.077 11.653 1.00 41.32 H new ATOM 0 HB3 GLN A 122 -33.908 0.704 10.647 1.00 41.32 H new ATOM 0 HG2 GLN A 122 -34.062 1.178 13.644 1.00 44.35 H new ATOM 0 HG3 GLN A 122 -34.336 2.419 12.437 1.00 44.35 H new ATOM 0 HE21 GLN A 122 -36.235 2.428 11.194 1.00 2.32 H new ATOM 0 HE22 GLN A 122 -37.614 1.396 11.589 1.00 2.32 H new ATOM 2006 N GLU A 123 -34.218 -1.798 9.915 1.00 3.44 N ATOM 2007 CA GLU A 123 -35.148 -2.549 9.081 1.00 64.22 C ATOM 2008 C GLU A 123 -35.227 -4.005 9.530 1.00 63.51 C ATOM 2009 O GLU A 123 -36.314 -4.569 9.660 1.00 25.04 O ATOM 2010 CB GLU A 123 -34.721 -2.479 7.613 1.00 72.11 C ATOM 2011 CG GLU A 123 -33.906 -3.678 7.158 1.00 31.10 C ATOM 2012 CD GLU A 123 -33.490 -3.582 5.703 1.00 20.40 C ATOM 2013 OE1 GLU A 123 -33.560 -2.472 5.137 1.00 52.30 O ATOM 2014 OE2 GLU A 123 -33.094 -4.619 5.131 1.00 64.34 O ATOM 0 H GLU A 123 -33.445 -1.370 9.405 1.00 3.44 H new ATOM 0 HA GLU A 123 -36.136 -2.100 9.187 1.00 64.22 H new ATOM 0 HB2 GLU A 123 -35.610 -2.397 6.988 1.00 72.11 H new ATOM 0 HB3 GLU A 123 -34.136 -1.572 7.456 1.00 72.11 H new ATOM 0 HG2 GLU A 123 -33.016 -3.766 7.781 1.00 31.10 H new ATOM 0 HG3 GLU A 123 -34.490 -4.587 7.306 1.00 31.10 H new ATOM 2021 N LYS A 124 -34.067 -4.610 9.764 1.00 1.14 N ATOM 2022 CA LYS A 124 -34.002 -6.000 10.199 1.00 32.05 C ATOM 2023 C LYS A 124 -34.427 -6.134 11.658 1.00 3.24 C ATOM 2024 O LYS A 124 -34.912 -7.184 12.081 1.00 63.43 O ATOM 2025 CB LYS A 124 -32.585 -6.547 10.017 1.00 22.54 C ATOM 2026 CG LYS A 124 -32.538 -7.889 9.307 1.00 25.34 C ATOM 2027 CD LYS A 124 -32.684 -7.730 7.803 1.00 2.24 C ATOM 2028 CE LYS A 124 -34.144 -7.608 7.395 1.00 30.52 C ATOM 2029 NZ LYS A 124 -34.434 -8.360 6.142 1.00 10.54 N ATOM 0 H LYS A 124 -33.158 -4.159 9.659 1.00 1.14 H new ATOM 0 HA LYS A 124 -34.690 -6.580 9.584 1.00 32.05 H new ATOM 0 HB2 LYS A 124 -31.996 -5.825 9.451 1.00 22.54 H new ATOM 0 HB3 LYS A 124 -32.114 -6.646 10.995 1.00 22.54 H new ATOM 0 HG2 LYS A 124 -31.595 -8.387 9.531 1.00 25.34 H new ATOM 0 HG3 LYS A 124 -33.335 -8.530 9.685 1.00 25.34 H new ATOM 0 HD2 LYS A 124 -32.138 -6.845 7.475 1.00 2.24 H new ATOM 0 HD3 LYS A 124 -32.235 -8.586 7.300 1.00 2.24 H new ATOM 0 HE2 LYS A 124 -34.778 -7.982 8.198 1.00 30.52 H new ATOM 0 HE3 LYS A 124 -34.395 -6.557 7.254 1.00 30.52 H new ATOM 0 HZ1 LYS A 124 -35.439 -8.252 5.897 1.00 10.54 H new ATOM 0 HZ2 LYS A 124 -33.847 -7.986 5.369 1.00 10.54 H new ATOM 0 HZ3 LYS A 124 -34.218 -9.367 6.284 1.00 10.54 H new ATOM 2043 N LEU A 125 -34.243 -5.064 12.424 1.00 41.33 N ATOM 2044 CA LEU A 125 -34.609 -5.061 13.836 1.00 65.10 C ATOM 2045 C LEU A 125 -36.123 -5.134 14.007 1.00 65.54 C ATOM 2046 O LEU A 125 -36.633 -5.964 14.760 1.00 42.30 O ATOM 2047 CB LEU A 125 -34.067 -3.805 14.521 1.00 61.20 C ATOM 2048 CG LEU A 125 -34.819 -3.344 15.770 1.00 74.32 C ATOM 2049 CD1 LEU A 125 -34.972 -4.493 16.755 1.00 12.41 C ATOM 2050 CD2 LEU A 125 -34.102 -2.171 16.422 1.00 32.30 C ATOM 0 H LEU A 125 -33.842 -4.187 12.091 1.00 41.33 H new ATOM 0 HA LEU A 125 -34.167 -5.941 14.302 1.00 65.10 H new ATOM 0 HB2 LEU A 125 -33.027 -3.984 14.793 1.00 61.20 H new ATOM 0 HB3 LEU A 125 -34.071 -2.990 13.797 1.00 61.20 H new ATOM 0 HG LEU A 125 -35.814 -3.014 15.471 1.00 74.32 H new ATOM 0 HD11 LEU A 125 -35.509 -4.146 17.638 1.00 12.41 H new ATOM 0 HD12 LEU A 125 -35.530 -5.303 16.285 1.00 12.41 H new ATOM 0 HD13 LEU A 125 -33.986 -4.854 17.049 1.00 12.41 H new ATOM 0 HD21 LEU A 125 -34.651 -1.856 17.309 1.00 32.30 H new ATOM 0 HD22 LEU A 125 -33.094 -2.474 16.707 1.00 32.30 H new ATOM 0 HD23 LEU A 125 -34.046 -1.342 15.717 1.00 32.30 H new ATOM 2062 N ASP A 126 -36.835 -4.263 13.301 1.00 60.31 N ATOM 2063 CA ASP A 126 -38.291 -4.231 13.371 1.00 32.24 C ATOM 2064 C ASP A 126 -38.887 -5.553 12.898 1.00 55.03 C ATOM 2065 O ASP A 126 -39.872 -6.036 13.456 1.00 2.23 O ATOM 2066 CB ASP A 126 -38.839 -3.079 12.528 1.00 43.13 C ATOM 2067 CG ASP A 126 -39.301 -3.534 11.157 1.00 2.52 C ATOM 2068 OD1 ASP A 126 -40.477 -3.935 11.030 1.00 24.11 O ATOM 2069 OD2 ASP A 126 -38.487 -3.487 10.212 1.00 42.15 O ATOM 0 H ASP A 126 -36.428 -3.570 12.674 1.00 60.31 H new ATOM 0 HA ASP A 126 -38.576 -4.076 14.412 1.00 32.24 H new ATOM 0 HB2 ASP A 126 -39.673 -2.613 13.053 1.00 43.13 H new ATOM 0 HB3 ASP A 126 -38.068 -2.317 12.414 1.00 43.13 H new ATOM 2074 N GLU A 127 -38.285 -6.132 11.864 1.00 45.31 N ATOM 2075 CA GLU A 127 -38.758 -7.397 11.314 1.00 10.34 C ATOM 2076 C GLU A 127 -38.663 -8.511 12.353 1.00 0.41 C ATOM 2077 O GLU A 127 -39.441 -9.465 12.329 1.00 4.14 O ATOM 2078 CB GLU A 127 -37.949 -7.773 10.071 1.00 21.14 C ATOM 2079 CG GLU A 127 -36.801 -8.726 10.358 1.00 20.31 C ATOM 2080 CD GLU A 127 -37.194 -10.181 10.186 1.00 45.24 C ATOM 2081 OE1 GLU A 127 -37.505 -10.579 9.044 1.00 74.13 O ATOM 2082 OE2 GLU A 127 -37.189 -10.920 11.192 1.00 71.44 O ATOM 0 H GLU A 127 -37.469 -5.745 11.390 1.00 45.31 H new ATOM 0 HA GLU A 127 -39.804 -7.273 11.033 1.00 10.34 H new ATOM 0 HB2 GLU A 127 -38.615 -8.230 9.339 1.00 21.14 H new ATOM 0 HB3 GLU A 127 -37.552 -6.865 9.618 1.00 21.14 H new ATOM 0 HG2 GLU A 127 -35.969 -8.497 9.692 1.00 20.31 H new ATOM 0 HG3 GLU A 127 -36.448 -8.567 11.377 1.00 20.31 H new ATOM 2089 N PHE A 128 -37.704 -8.382 13.264 1.00 62.02 N ATOM 2090 CA PHE A 128 -37.505 -9.378 14.311 1.00 40.35 C ATOM 2091 C PHE A 128 -38.551 -9.227 15.411 1.00 53.52 C ATOM 2092 O PHE A 128 -39.160 -10.206 15.841 1.00 25.01 O ATOM 2093 CB PHE A 128 -36.101 -9.250 14.905 1.00 10.13 C ATOM 2094 CG PHE A 128 -35.186 -10.381 14.531 1.00 51.33 C ATOM 2095 CD1 PHE A 128 -34.695 -10.493 13.240 1.00 21.41 C ATOM 2096 CD2 PHE A 128 -34.818 -11.331 15.469 1.00 22.22 C ATOM 2097 CE1 PHE A 128 -33.852 -11.533 12.892 1.00 14.41 C ATOM 2098 CE2 PHE A 128 -33.975 -12.372 15.127 1.00 34.22 C ATOM 2099 CZ PHE A 128 -33.493 -12.474 13.837 1.00 52.31 C ATOM 0 H PHE A 128 -37.053 -7.598 13.299 1.00 62.02 H new ATOM 0 HA PHE A 128 -37.614 -10.366 13.864 1.00 40.35 H new ATOM 0 HB2 PHE A 128 -35.659 -8.311 14.573 1.00 10.13 H new ATOM 0 HB3 PHE A 128 -36.178 -9.200 15.991 1.00 10.13 H new ATOM 0 HD1 PHE A 128 -34.974 -9.760 12.497 1.00 21.41 H new ATOM 0 HD2 PHE A 128 -35.194 -11.258 16.479 1.00 22.22 H new ATOM 0 HE1 PHE A 128 -33.475 -11.609 11.883 1.00 14.41 H new ATOM 0 HE2 PHE A 128 -33.694 -13.105 15.868 1.00 34.22 H new ATOM 0 HZ PHE A 128 -32.836 -13.288 13.568 1.00 52.31 H new