USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 979 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 62 THR OG1 : rot 101:sc= 1.37 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 129:sc= 1.32 (180deg=-0.0694) USER MOD Set 2.1: A 46 LYS NZ :NH3+ 176:sc= 0.788 (180deg=0) USER MOD Set 2.2: A 48 GLN : amide:sc= 1.37 K(o=2.2,f=-4.4!) USER MOD Set 3.1: A 28 CYS SG : rot 180:sc= 1.14 USER MOD Set 3.2: A 61 TYR OH : rot -27:sc= 1.38 USER MOD Set 4.1: A 14 MET CE :methyl -174:sc= -0.362 (180deg=-0.532) USER MOD Set 4.2: A 25 MET CE :methyl 164:sc= -0.0111 (180deg=-0.0305) USER MOD Set 4.3: A 84 MET CE :methyl 180:sc=-0.00382 (180deg=0) USER MOD Set 5.1: A 17 HIS : no HE2:sc= -1.37 K(o=-0.32,f=-3.6) USER MOD Set 5.2: A 23 LYS NZ :NH3+ 172:sc= 1.06 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 43:sc= 0.122 USER MOD Single : A 10 ASN : amide:sc= -0.12 K(o=-0.12,f=-5.2) USER MOD Single : A 21 THR OG1 : rot -74:sc= 1.31 USER MOD Single : A 29 MET CE :methyl -166:sc= -1.18 (180deg=-1.73) USER MOD Single : A 35 MET CE :methyl 136:sc= -0.0564 (180deg=-1.08) USER MOD Single : A 37 THR OG1 : rot 150:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.186 X(o=0.19,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 165:sc= 1.27 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 150:sc= 0.00181 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 72 THR OG1 : rot 76:sc= 0.523 USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0.871 (180deg=0.824) USER MOD Single : A 75 ASN : amide:sc= 0.661 K(o=0.66,f=-6.5!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc=-0.00622 X(o=-0.0062,f=-0.24) USER MOD Single : A 83 THR OG1 : rot 113:sc= 1.31 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -170:sc= -0.143 USER MOD Single : A 91 HIS : no HE2:sc= -0.634 X(o=-0.63,f=-1) USER MOD Single : A 94 ASN : amide:sc= -0.278 X(o=-0.28,f=0) USER MOD Single : A 101 CYS SG : rot 147:sc= 0.487 USER MOD Single : A 102 MET CE :methyl 142:sc= -0.145 (180deg=-0.833) USER MOD Single : A 104 SER OG : rot 87:sc= 0.785 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot -139:sc= 0.00167 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.0321 USER MOD Single : A 122 TYR OH : rot 30:sc= -0.0649 USER MOD Single : A 123 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.27) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 5 7.852 -7.820 5.235 1.00 33.24 N ATOM 54 CA GLY A 5 8.882 -7.233 4.407 1.00 24.12 C ATOM 55 C GLY A 5 8.453 -7.100 2.959 1.00 4.42 C ATOM 56 O GLY A 5 7.560 -6.312 2.652 1.00 42.30 O ATOM 0 HA2 GLY A 5 9.142 -6.249 4.798 1.00 24.12 H new ATOM 0 HA3 GLY A 5 9.782 -7.846 4.462 1.00 24.12 H new ATOM 60 N THR A 6 9.110 -7.831 2.072 1.00 65.44 N ATOM 61 CA THR A 6 8.969 -7.673 0.631 1.00 2.35 C ATOM 62 C THR A 6 8.638 -9.039 0.030 1.00 40.00 C ATOM 63 O THR A 6 9.115 -10.071 0.518 1.00 51.30 O ATOM 64 CB THR A 6 10.268 -7.065 0.064 1.00 40.32 C ATOM 65 OG1 THR A 6 10.721 -6.005 0.891 1.00 63.14 O ATOM 66 CG2 THR A 6 10.067 -6.458 -1.323 1.00 2.51 C ATOM 0 H THR A 6 9.768 -8.564 2.337 1.00 65.44 H new ATOM 0 HA THR A 6 8.158 -6.991 0.375 1.00 2.35 H new ATOM 0 HB THR A 6 10.984 -7.886 0.018 1.00 40.32 H new ATOM 0 HG1 THR A 6 11.547 -5.630 0.520 1.00 63.14 H new ATOM 0 HG21 THR A 6 11.010 -6.043 -1.679 1.00 2.51 H new ATOM 0 HG22 THR A 6 9.727 -7.231 -2.013 1.00 2.51 H new ATOM 0 HG23 THR A 6 9.320 -5.666 -1.269 1.00 2.51 H new ATOM 74 N VAL A 7 7.811 -9.051 -1.015 1.00 35.11 N ATOM 75 CA VAL A 7 7.436 -10.231 -1.783 1.00 52.14 C ATOM 76 C VAL A 7 7.185 -9.851 -3.253 1.00 33.23 C ATOM 77 O VAL A 7 7.246 -8.673 -3.604 1.00 32.21 O ATOM 78 CB VAL A 7 6.187 -10.885 -1.173 1.00 23.01 C ATOM 79 CG1 VAL A 7 6.394 -11.480 0.221 1.00 32.14 C ATOM 80 CG2 VAL A 7 4.974 -9.939 -1.109 1.00 71.13 C ATOM 0 H VAL A 7 7.367 -8.201 -1.362 1.00 35.11 H new ATOM 0 HA VAL A 7 8.255 -10.950 -1.748 1.00 52.14 H new ATOM 0 HB VAL A 7 5.986 -11.700 -1.868 1.00 23.01 H new ATOM 0 HG11 VAL A 7 5.460 -11.919 0.571 1.00 32.14 H new ATOM 0 HG12 VAL A 7 7.164 -12.251 0.177 1.00 32.14 H new ATOM 0 HG13 VAL A 7 6.706 -10.694 0.909 1.00 32.14 H new ATOM 0 HG21 VAL A 7 4.126 -10.464 -0.668 1.00 71.13 H new ATOM 0 HG22 VAL A 7 5.221 -9.071 -0.498 1.00 71.13 H new ATOM 0 HG23 VAL A 7 4.714 -9.612 -2.116 1.00 71.13 H new ATOM 90 N SER A 8 6.842 -10.828 -4.101 1.00 50.22 N ATOM 91 CA SER A 8 6.219 -10.609 -5.405 1.00 24.52 C ATOM 92 C SER A 8 4.926 -11.413 -5.390 1.00 2.33 C ATOM 93 O SER A 8 4.739 -12.356 -6.164 1.00 53.22 O ATOM 94 CB SER A 8 7.172 -11.005 -6.541 1.00 11.42 C ATOM 95 OG SER A 8 6.664 -10.719 -7.831 1.00 62.54 O ATOM 0 H SER A 8 6.995 -11.814 -3.891 1.00 50.22 H new ATOM 0 HA SER A 8 5.997 -9.558 -5.587 1.00 24.52 H new ATOM 0 HB2 SER A 8 8.119 -10.482 -6.408 1.00 11.42 H new ATOM 0 HB3 SER A 8 7.384 -12.072 -6.471 1.00 11.42 H new ATOM 0 HG SER A 8 6.244 -9.834 -7.828 1.00 62.54 H new ATOM 101 N TRP A 9 4.026 -11.060 -4.479 1.00 3.05 N ATOM 102 CA TRP A 9 2.655 -11.524 -4.550 1.00 74.11 C ATOM 103 C TRP A 9 1.985 -10.872 -5.758 1.00 43.32 C ATOM 104 O TRP A 9 2.542 -9.971 -6.389 1.00 34.54 O ATOM 105 CB TRP A 9 1.981 -11.256 -3.194 1.00 54.35 C ATOM 106 CG TRP A 9 2.424 -12.175 -2.089 1.00 20.40 C ATOM 107 CD1 TRP A 9 3.286 -13.208 -2.229 1.00 45.32 C ATOM 108 CD2 TRP A 9 2.076 -12.155 -0.670 1.00 42.23 C ATOM 109 NE1 TRP A 9 3.534 -13.794 -1.009 1.00 5.44 N ATOM 110 CE2 TRP A 9 2.789 -13.204 -0.012 1.00 22.14 C ATOM 111 CE3 TRP A 9 1.264 -11.330 0.137 1.00 74.13 C ATOM 112 CZ2 TRP A 9 2.675 -13.443 1.367 1.00 43.15 C ATOM 113 CZ3 TRP A 9 1.149 -11.562 1.522 1.00 71.33 C ATOM 114 CH2 TRP A 9 1.840 -12.618 2.134 1.00 31.23 C ATOM 0 H TRP A 9 4.226 -10.453 -3.684 1.00 3.05 H new ATOM 0 HA TRP A 9 2.574 -12.599 -4.713 1.00 74.11 H new ATOM 0 HB2 TRP A 9 2.184 -10.227 -2.898 1.00 54.35 H new ATOM 0 HB3 TRP A 9 0.901 -11.346 -3.314 1.00 54.35 H new ATOM 0 HD1 TRP A 9 3.718 -13.528 -3.166 1.00 45.32 H new ATOM 0 HE1 TRP A 9 4.185 -14.565 -0.862 1.00 5.44 H new ATOM 0 HE3 TRP A 9 0.724 -10.510 -0.313 1.00 74.13 H new ATOM 0 HZ2 TRP A 9 3.223 -14.251 1.830 1.00 43.15 H new ATOM 0 HZ3 TRP A 9 0.521 -10.918 2.120 1.00 71.33 H new ATOM 0 HH2 TRP A 9 1.729 -12.795 3.194 1.00 31.23 H new ATOM 125 N ASN A 10 0.809 -11.367 -6.124 1.00 42.44 N ATOM 126 CA ASN A 10 -0.014 -10.797 -7.169 1.00 1.54 C ATOM 127 C ASN A 10 -1.026 -9.863 -6.485 1.00 13.02 C ATOM 128 O ASN A 10 -1.179 -9.909 -5.259 1.00 60.34 O ATOM 129 CB ASN A 10 -0.605 -11.975 -7.958 1.00 24.11 C ATOM 130 CG ASN A 10 -2.027 -11.719 -8.370 1.00 31.01 C ATOM 131 OD1 ASN A 10 -2.953 -12.084 -7.656 1.00 35.55 O ATOM 132 ND2 ASN A 10 -2.232 -11.029 -9.463 1.00 63.03 N ATOM 0 H ASN A 10 0.397 -12.193 -5.690 1.00 42.44 H new ATOM 0 HA ASN A 10 0.514 -10.181 -7.897 1.00 1.54 H new ATOM 0 HB2 ASN A 10 0.002 -12.159 -8.845 1.00 24.11 H new ATOM 0 HB3 ASN A 10 -0.561 -12.878 -7.349 1.00 24.11 H new ATOM 0 HD21 ASN A 10 -3.182 -10.782 -9.739 1.00 63.03 H new ATOM 0 HD22 ASN A 10 -1.442 -10.738 -10.038 1.00 63.03 H new ATOM 139 N LEU A 11 -1.705 -8.984 -7.224 1.00 4.14 N ATOM 140 CA LEU A 11 -2.655 -8.041 -6.633 1.00 62.23 C ATOM 141 C LEU A 11 -3.779 -8.758 -5.893 1.00 34.15 C ATOM 142 O LEU A 11 -4.133 -8.329 -4.797 1.00 71.12 O ATOM 143 CB LEU A 11 -3.147 -7.046 -7.697 1.00 44.34 C ATOM 144 CG LEU A 11 -3.949 -5.829 -7.184 1.00 1.23 C ATOM 145 CD1 LEU A 11 -5.439 -6.122 -7.000 1.00 51.43 C ATOM 146 CD2 LEU A 11 -3.398 -5.197 -5.898 1.00 22.23 C ATOM 0 H LEU A 11 -1.614 -8.906 -8.237 1.00 4.14 H new ATOM 0 HA LEU A 11 -2.144 -7.456 -5.868 1.00 62.23 H new ATOM 0 HB2 LEU A 11 -2.280 -6.677 -8.246 1.00 44.34 H new ATOM 0 HB3 LEU A 11 -3.768 -7.588 -8.410 1.00 44.34 H new ATOM 0 HG LEU A 11 -3.826 -5.102 -7.986 1.00 1.23 H new ATOM 0 HD11 LEU A 11 -5.944 -5.226 -6.638 1.00 51.43 H new ATOM 0 HD12 LEU A 11 -5.871 -6.422 -7.955 1.00 51.43 H new ATOM 0 HD13 LEU A 11 -5.565 -6.927 -6.276 1.00 51.43 H new ATOM 0 HD21 LEU A 11 -4.023 -4.351 -5.612 1.00 22.23 H new ATOM 0 HD22 LEU A 11 -3.402 -5.938 -5.098 1.00 22.23 H new ATOM 0 HD23 LEU A 11 -2.378 -4.853 -6.070 1.00 22.23 H new ATOM 158 N ARG A 12 -4.319 -9.870 -6.407 1.00 14.05 N ATOM 159 CA ARG A 12 -5.326 -10.608 -5.667 1.00 44.10 C ATOM 160 C ARG A 12 -4.748 -11.161 -4.380 1.00 62.11 C ATOM 161 O ARG A 12 -5.384 -11.046 -3.342 1.00 34.52 O ATOM 162 CB ARG A 12 -5.823 -11.773 -6.512 1.00 42.35 C ATOM 163 CG ARG A 12 -7.181 -12.270 -6.032 1.00 15.10 C ATOM 164 CD ARG A 12 -7.549 -13.518 -6.832 1.00 50.14 C ATOM 165 NE ARG A 12 -8.233 -14.510 -5.987 1.00 71.21 N ATOM 166 CZ ARG A 12 -9.002 -15.522 -6.395 1.00 74.42 C ATOM 167 NH1 ARG A 12 -9.205 -15.723 -7.695 1.00 61.31 N ATOM 168 NH2 ARG A 12 -9.554 -16.312 -5.481 1.00 13.04 N ATOM 0 H ARG A 12 -4.076 -10.265 -7.315 1.00 14.05 H new ATOM 0 HA ARG A 12 -6.145 -9.928 -5.431 1.00 44.10 H new ATOM 0 HB2 ARG A 12 -5.895 -11.463 -7.555 1.00 42.35 H new ATOM 0 HB3 ARG A 12 -5.101 -12.588 -6.471 1.00 42.35 H new ATOM 0 HG2 ARG A 12 -7.146 -12.499 -4.967 1.00 15.10 H new ATOM 0 HG3 ARG A 12 -7.937 -11.497 -6.167 1.00 15.10 H new ATOM 0 HD2 ARG A 12 -8.193 -13.241 -7.666 1.00 50.14 H new ATOM 0 HD3 ARG A 12 -6.648 -13.959 -7.258 1.00 50.14 H new ATOM 0 HE ARG A 12 -8.106 -14.414 -4.980 1.00 71.21 H new ATOM 0 HH11 ARG A 12 -8.773 -15.104 -8.380 1.00 61.31 H new ATOM 0 HH12 ARG A 12 -9.793 -16.497 -8.006 1.00 61.31 H new ATOM 0 HH21 ARG A 12 -9.387 -16.139 -4.490 1.00 13.04 H new ATOM 0 HH22 ARG A 12 -10.145 -17.091 -5.770 1.00 13.04 H new ATOM 182 N GLU A 13 -3.559 -11.755 -4.473 1.00 24.14 N ATOM 183 CA GLU A 13 -2.884 -12.333 -3.321 1.00 54.51 C ATOM 184 C GLU A 13 -2.753 -11.281 -2.223 1.00 42.54 C ATOM 185 O GLU A 13 -3.078 -11.556 -1.064 1.00 62.25 O ATOM 186 CB GLU A 13 -1.503 -12.901 -3.681 1.00 52.23 C ATOM 187 CG GLU A 13 -1.500 -14.012 -4.733 1.00 24.41 C ATOM 188 CD GLU A 13 -2.475 -15.138 -4.418 1.00 3.23 C ATOM 189 OE1 GLU A 13 -2.524 -15.599 -3.252 1.00 4.45 O ATOM 190 OE2 GLU A 13 -3.245 -15.501 -5.336 1.00 35.35 O ATOM 0 H GLU A 13 -3.042 -11.847 -5.347 1.00 24.14 H new ATOM 0 HA GLU A 13 -3.490 -13.166 -2.964 1.00 54.51 H new ATOM 0 HB2 GLU A 13 -0.876 -12.084 -4.039 1.00 52.23 H new ATOM 0 HB3 GLU A 13 -1.039 -13.284 -2.772 1.00 52.23 H new ATOM 0 HG2 GLU A 13 -1.750 -13.585 -5.704 1.00 24.41 H new ATOM 0 HG3 GLU A 13 -0.494 -14.423 -4.815 1.00 24.41 H new ATOM 197 N MET A 14 -2.272 -10.078 -2.562 1.00 33.22 N ATOM 198 CA MET A 14 -2.079 -9.070 -1.545 1.00 1.24 C ATOM 199 C MET A 14 -3.411 -8.516 -1.036 1.00 34.12 C ATOM 200 O MET A 14 -3.517 -8.263 0.166 1.00 20.02 O ATOM 201 CB MET A 14 -1.080 -7.985 -1.971 1.00 73.44 C ATOM 202 CG MET A 14 -1.653 -6.921 -2.907 1.00 54.23 C ATOM 203 SD MET A 14 -0.496 -5.646 -3.491 1.00 72.13 S ATOM 204 CE MET A 14 0.154 -4.998 -1.930 1.00 0.40 C ATOM 0 H MET A 14 -2.019 -9.796 -3.509 1.00 33.22 H new ATOM 0 HA MET A 14 -1.613 -9.559 -0.690 1.00 1.24 H new ATOM 0 HB2 MET A 14 -0.695 -7.494 -1.077 1.00 73.44 H new ATOM 0 HB3 MET A 14 -0.233 -8.463 -2.462 1.00 73.44 H new ATOM 0 HG2 MET A 14 -2.074 -7.424 -3.778 1.00 54.23 H new ATOM 0 HG3 MET A 14 -2.478 -6.425 -2.395 1.00 54.23 H new ATOM 0 HE1 MET A 14 0.794 -4.139 -2.131 1.00 0.40 H new ATOM 0 HE2 MET A 14 -0.674 -4.692 -1.290 1.00 0.40 H new ATOM 0 HE3 MET A 14 0.734 -5.772 -1.428 1.00 0.40 H new ATOM 214 N LEU A 15 -4.416 -8.364 -1.909 1.00 10.15 N ATOM 215 CA LEU A 15 -5.760 -7.926 -1.549 1.00 63.53 C ATOM 216 C LEU A 15 -6.342 -8.885 -0.513 1.00 53.10 C ATOM 217 O LEU A 15 -6.671 -8.442 0.582 1.00 74.43 O ATOM 218 CB LEU A 15 -6.654 -7.834 -2.803 1.00 22.40 C ATOM 219 CG LEU A 15 -8.083 -7.345 -2.489 1.00 72.34 C ATOM 220 CD1 LEU A 15 -8.127 -5.827 -2.300 1.00 31.55 C ATOM 221 CD2 LEU A 15 -9.046 -7.695 -3.630 1.00 1.23 C ATOM 0 H LEU A 15 -4.309 -8.548 -2.907 1.00 10.15 H new ATOM 0 HA LEU A 15 -5.715 -6.929 -1.111 1.00 63.53 H new ATOM 0 HB2 LEU A 15 -6.194 -7.156 -3.522 1.00 22.40 H new ATOM 0 HB3 LEU A 15 -6.707 -8.814 -3.277 1.00 22.40 H new ATOM 0 HG LEU A 15 -8.384 -7.844 -1.568 1.00 72.34 H new ATOM 0 HD11 LEU A 15 -9.149 -5.517 -2.080 1.00 31.55 H new ATOM 0 HD12 LEU A 15 -7.476 -5.544 -1.473 1.00 31.55 H new ATOM 0 HD13 LEU A 15 -7.787 -5.337 -3.212 1.00 31.55 H new ATOM 0 HD21 LEU A 15 -10.046 -7.339 -3.384 1.00 1.23 H new ATOM 0 HD22 LEU A 15 -8.708 -7.219 -4.550 1.00 1.23 H new ATOM 0 HD23 LEU A 15 -9.069 -8.776 -3.768 1.00 1.23 H new ATOM 233 N ALA A 16 -6.427 -10.179 -0.835 1.00 74.43 N ATOM 234 CA ALA A 16 -6.983 -11.242 0.000 1.00 31.14 C ATOM 235 C ALA A 16 -6.349 -11.242 1.389 1.00 73.41 C ATOM 236 O ALA A 16 -7.027 -11.498 2.377 1.00 14.42 O ATOM 237 CB ALA A 16 -6.704 -12.582 -0.678 1.00 25.20 C ATOM 0 H ALA A 16 -6.092 -10.529 -1.732 1.00 74.43 H new ATOM 0 HA ALA A 16 -8.054 -11.078 0.115 1.00 31.14 H new ATOM 0 HB1 ALA A 16 -7.112 -13.389 -0.070 1.00 25.20 H new ATOM 0 HB2 ALA A 16 -7.173 -12.597 -1.662 1.00 25.20 H new ATOM 0 HB3 ALA A 16 -5.628 -12.718 -0.787 1.00 25.20 H new ATOM 243 N HIS A 17 -5.057 -10.929 1.486 1.00 32.53 N ATOM 244 CA HIS A 17 -4.375 -10.830 2.766 1.00 53.10 C ATOM 245 C HIS A 17 -4.967 -9.718 3.631 1.00 15.22 C ATOM 246 O HIS A 17 -5.026 -9.874 4.845 1.00 75.51 O ATOM 247 CB HIS A 17 -2.901 -10.538 2.519 1.00 13.33 C ATOM 248 CG HIS A 17 -1.977 -10.767 3.696 1.00 62.42 C ATOM 249 ND1 HIS A 17 -1.858 -11.927 4.426 1.00 1.42 N ATOM 250 CD2 HIS A 17 -1.026 -9.896 4.159 1.00 24.44 C ATOM 251 CE1 HIS A 17 -0.862 -11.750 5.313 1.00 25.11 C ATOM 252 NE2 HIS A 17 -0.324 -10.520 5.199 1.00 65.14 N ATOM 0 H HIS A 17 -4.460 -10.739 0.681 1.00 32.53 H new ATOM 0 HA HIS A 17 -4.499 -11.775 3.295 1.00 53.10 H new ATOM 0 HB2 HIS A 17 -2.562 -11.158 1.689 1.00 13.33 H new ATOM 0 HB3 HIS A 17 -2.804 -9.500 2.202 1.00 13.33 H new ATOM 0 HD1 HIS A 17 -2.423 -12.769 4.315 1.00 1.42 H new ATOM 0 HD2 HIS A 17 -0.848 -8.898 3.786 1.00 24.44 H new ATOM 0 HE1 HIS A 17 -0.537 -12.496 6.023 1.00 25.11 H new ATOM 260 N ALA A 18 -5.409 -8.596 3.061 1.00 53.32 N ATOM 261 CA ALA A 18 -5.982 -7.489 3.814 1.00 42.41 C ATOM 262 C ALA A 18 -7.340 -7.929 4.338 1.00 51.24 C ATOM 263 O ALA A 18 -7.675 -7.744 5.509 1.00 74.43 O ATOM 264 CB ALA A 18 -6.143 -6.280 2.889 1.00 32.14 C ATOM 0 H ALA A 18 -5.377 -8.433 2.055 1.00 53.32 H new ATOM 0 HA ALA A 18 -5.335 -7.211 4.646 1.00 42.41 H new ATOM 0 HB1 ALA A 18 -6.572 -5.448 3.448 1.00 32.14 H new ATOM 0 HB2 ALA A 18 -5.168 -5.989 2.497 1.00 32.14 H new ATOM 0 HB3 ALA A 18 -6.804 -6.540 2.062 1.00 32.14 H new ATOM 270 N GLU A 19 -8.085 -8.559 3.437 1.00 20.12 N ATOM 271 CA GLU A 19 -9.394 -9.145 3.626 1.00 23.01 C ATOM 272 C GLU A 19 -9.399 -10.495 4.354 1.00 2.21 C ATOM 273 O GLU A 19 -10.455 -11.108 4.497 1.00 52.11 O ATOM 274 CB GLU A 19 -10.273 -8.990 2.381 1.00 75.35 C ATOM 275 CG GLU A 19 -9.551 -9.051 1.075 1.00 5.42 C ATOM 276 CD GLU A 19 -10.456 -9.445 -0.099 1.00 42.53 C ATOM 277 OE1 GLU A 19 -10.829 -10.634 -0.215 1.00 73.15 O ATOM 278 OE2 GLU A 19 -10.846 -8.549 -0.890 1.00 31.32 O ATOM 0 H GLU A 19 -7.756 -8.679 2.479 1.00 20.12 H new ATOM 0 HA GLU A 19 -9.917 -8.549 4.374 1.00 23.01 H new ATOM 0 HB2 GLU A 19 -11.032 -9.772 2.394 1.00 75.35 H new ATOM 0 HB3 GLU A 19 -10.796 -8.036 2.443 1.00 75.35 H new ATOM 0 HG2 GLU A 19 -9.103 -8.079 0.869 1.00 5.42 H new ATOM 0 HG3 GLU A 19 -8.734 -9.769 1.152 1.00 5.42 H new ATOM 285 N GLU A 20 -8.259 -10.935 4.892 1.00 2.03 N ATOM 286 CA GLU A 20 -8.150 -12.066 5.801 1.00 34.11 C ATOM 287 C GLU A 20 -7.444 -11.670 7.097 1.00 15.20 C ATOM 288 O GLU A 20 -7.895 -12.031 8.179 1.00 63.14 O ATOM 289 CB GLU A 20 -7.433 -13.222 5.100 1.00 62.24 C ATOM 290 CG GLU A 20 -7.277 -14.398 6.078 1.00 5.32 C ATOM 291 CD GLU A 20 -7.191 -15.785 5.449 1.00 72.23 C ATOM 292 OE1 GLU A 20 -7.449 -15.964 4.237 1.00 72.32 O ATOM 293 OE2 GLU A 20 -6.895 -16.729 6.216 1.00 10.25 O ATOM 0 H GLU A 20 -7.360 -10.495 4.697 1.00 2.03 H new ATOM 0 HA GLU A 20 -9.152 -12.395 6.076 1.00 34.11 H new ATOM 0 HB2 GLU A 20 -7.999 -13.537 4.223 1.00 62.24 H new ATOM 0 HB3 GLU A 20 -6.454 -12.896 4.747 1.00 62.24 H new ATOM 0 HG2 GLU A 20 -6.378 -14.234 6.672 1.00 5.32 H new ATOM 0 HG3 GLU A 20 -8.121 -14.385 6.768 1.00 5.32 H new ATOM 300 N THR A 21 -6.356 -10.912 7.035 1.00 42.32 N ATOM 301 CA THR A 21 -5.558 -10.589 8.216 1.00 74.12 C ATOM 302 C THR A 21 -5.975 -9.252 8.838 1.00 34.35 C ATOM 303 O THR A 21 -5.406 -8.831 9.845 1.00 35.35 O ATOM 304 CB THR A 21 -4.059 -10.708 7.906 1.00 2.41 C ATOM 305 OG1 THR A 21 -3.615 -9.716 7.011 1.00 63.12 O ATOM 306 CG2 THR A 21 -3.725 -12.067 7.288 1.00 1.20 C ATOM 0 H THR A 21 -6.001 -10.504 6.170 1.00 42.32 H new ATOM 0 HA THR A 21 -5.761 -11.327 8.992 1.00 74.12 H new ATOM 0 HB THR A 21 -3.553 -10.587 8.864 1.00 2.41 H new ATOM 0 HG1 THR A 21 -3.932 -9.925 6.108 1.00 63.12 H new ATOM 0 HG21 THR A 21 -2.656 -12.119 7.080 1.00 1.20 H new ATOM 0 HG22 THR A 21 -3.999 -12.860 7.984 1.00 1.20 H new ATOM 0 HG23 THR A 21 -4.282 -12.191 6.359 1.00 1.20 H new ATOM 314 N ARG A 22 -7.006 -8.598 8.283 1.00 62.23 N ATOM 315 CA ARG A 22 -7.571 -7.326 8.737 1.00 41.13 C ATOM 316 C ARG A 22 -6.561 -6.167 8.665 1.00 21.41 C ATOM 317 O ARG A 22 -6.753 -5.135 9.307 1.00 20.24 O ATOM 318 CB ARG A 22 -8.233 -7.485 10.124 1.00 23.20 C ATOM 319 CG ARG A 22 -9.155 -8.709 10.287 1.00 20.03 C ATOM 320 CD ARG A 22 -10.319 -8.764 9.282 1.00 32.24 C ATOM 321 NE ARG A 22 -11.390 -9.695 9.698 1.00 33.12 N ATOM 322 CZ ARG A 22 -11.371 -11.034 9.696 1.00 62.50 C ATOM 323 NH1 ARG A 22 -10.279 -11.694 9.358 1.00 70.22 N ATOM 324 NH2 ARG A 22 -12.440 -11.746 10.034 1.00 1.13 N ATOM 0 H ARG A 22 -7.491 -8.964 7.463 1.00 62.23 H new ATOM 0 HA ARG A 22 -8.361 -7.044 8.041 1.00 41.13 H new ATOM 0 HB2 ARG A 22 -7.447 -7.542 10.877 1.00 23.20 H new ATOM 0 HB3 ARG A 22 -8.812 -6.586 10.335 1.00 23.20 H new ATOM 0 HG2 ARG A 22 -8.558 -9.615 10.183 1.00 20.03 H new ATOM 0 HG3 ARG A 22 -9.563 -8.710 11.298 1.00 20.03 H new ATOM 0 HD2 ARG A 22 -10.738 -7.765 9.163 1.00 32.24 H new ATOM 0 HD3 ARG A 22 -9.938 -9.068 8.307 1.00 32.24 H new ATOM 0 HE ARG A 22 -12.253 -9.262 10.028 1.00 33.12 H new ATOM 0 HH11 ARG A 22 -9.436 -11.184 9.094 1.00 70.22 H new ATOM 0 HH12 ARG A 22 -10.278 -12.714 9.361 1.00 70.22 H new ATOM 0 HH21 ARG A 22 -13.303 -11.274 10.304 1.00 1.13 H new ATOM 0 HH22 ARG A 22 -12.398 -12.765 10.024 1.00 1.13 H new ATOM 338 N LYS A 23 -5.471 -6.339 7.912 1.00 44.34 N ATOM 339 CA LYS A 23 -4.410 -5.350 7.751 1.00 5.14 C ATOM 340 C LYS A 23 -4.892 -4.191 6.901 1.00 44.53 C ATOM 341 O LYS A 23 -5.596 -4.404 5.914 1.00 51.41 O ATOM 342 CB LYS A 23 -3.216 -5.993 7.047 1.00 45.03 C ATOM 343 CG LYS A 23 -2.474 -6.910 8.010 1.00 53.14 C ATOM 344 CD LYS A 23 -1.306 -7.578 7.295 1.00 3.03 C ATOM 345 CE LYS A 23 -0.726 -8.645 8.216 1.00 21.42 C ATOM 346 NZ LYS A 23 0.568 -9.141 7.725 1.00 74.12 N ATOM 0 H LYS A 23 -5.301 -7.195 7.384 1.00 44.34 H new ATOM 0 HA LYS A 23 -4.124 -4.988 8.739 1.00 5.14 H new ATOM 0 HB2 LYS A 23 -3.557 -6.561 6.181 1.00 45.03 H new ATOM 0 HB3 LYS A 23 -2.543 -5.220 6.676 1.00 45.03 H new ATOM 0 HG2 LYS A 23 -2.110 -6.338 8.863 1.00 53.14 H new ATOM 0 HG3 LYS A 23 -3.153 -7.667 8.401 1.00 53.14 H new ATOM 0 HD2 LYS A 23 -1.640 -8.026 6.359 1.00 3.03 H new ATOM 0 HD3 LYS A 23 -0.544 -6.841 7.042 1.00 3.03 H new ATOM 0 HE2 LYS A 23 -0.602 -8.233 9.217 1.00 21.42 H new ATOM 0 HE3 LYS A 23 -1.427 -9.476 8.298 1.00 21.42 H new ATOM 0 HZ1 LYS A 23 0.996 -9.763 8.441 1.00 74.12 H new ATOM 0 HZ2 LYS A 23 0.424 -9.675 6.844 1.00 74.12 H new ATOM 0 HZ3 LYS A 23 1.201 -8.337 7.542 1.00 74.12 H new ATOM 360 N LEU A 24 -4.394 -2.991 7.195 1.00 32.12 N ATOM 361 CA LEU A 24 -4.695 -1.785 6.434 1.00 40.40 C ATOM 362 C LEU A 24 -4.196 -1.933 4.997 1.00 1.54 C ATOM 363 O LEU A 24 -3.092 -2.453 4.797 1.00 11.35 O ATOM 364 CB LEU A 24 -3.951 -0.606 7.069 1.00 32.34 C ATOM 365 CG LEU A 24 -4.607 0.742 6.729 1.00 30.43 C ATOM 366 CD1 LEU A 24 -5.548 1.123 7.864 1.00 11.22 C ATOM 367 CD2 LEU A 24 -3.562 1.847 6.615 1.00 54.00 C ATOM 0 H LEU A 24 -3.762 -2.830 7.979 1.00 32.12 H new ATOM 0 HA LEU A 24 -5.773 -1.621 6.438 1.00 40.40 H new ATOM 0 HB2 LEU A 24 -3.926 -0.734 8.151 1.00 32.34 H new ATOM 0 HB3 LEU A 24 -2.917 -0.603 6.725 1.00 32.34 H new ATOM 0 HG LEU A 24 -5.133 0.638 5.780 1.00 30.43 H new ATOM 0 HD11 LEU A 24 -6.022 2.078 7.638 1.00 11.22 H new ATOM 0 HD12 LEU A 24 -6.314 0.355 7.975 1.00 11.22 H new ATOM 0 HD13 LEU A 24 -4.983 1.209 8.792 1.00 11.22 H new ATOM 0 HD21 LEU A 24 -4.054 2.789 6.374 1.00 54.00 H new ATOM 0 HD22 LEU A 24 -3.032 1.946 7.563 1.00 54.00 H new ATOM 0 HD23 LEU A 24 -2.852 1.596 5.827 1.00 54.00 H new ATOM 379 N MET A 25 -4.922 -1.393 4.016 1.00 63.44 N ATOM 380 CA MET A 25 -4.457 -1.331 2.630 1.00 73.11 C ATOM 381 C MET A 25 -4.529 0.125 2.154 1.00 40.33 C ATOM 382 O MET A 25 -5.542 0.560 1.604 1.00 34.55 O ATOM 383 CB MET A 25 -5.201 -2.339 1.736 1.00 22.43 C ATOM 384 CG MET A 25 -4.493 -2.542 0.386 1.00 1.14 C ATOM 385 SD MET A 25 -5.317 -3.721 -0.730 1.00 15.45 S ATOM 386 CE MET A 25 -4.010 -4.044 -1.943 1.00 73.43 C ATOM 0 H MET A 25 -5.847 -0.987 4.160 1.00 63.44 H new ATOM 0 HA MET A 25 -3.414 -1.641 2.561 1.00 73.11 H new ATOM 0 HB2 MET A 25 -5.277 -3.295 2.253 1.00 22.43 H new ATOM 0 HB3 MET A 25 -6.218 -1.988 1.563 1.00 22.43 H new ATOM 0 HG2 MET A 25 -4.415 -1.578 -0.117 1.00 1.14 H new ATOM 0 HG3 MET A 25 -3.476 -2.887 0.572 1.00 1.14 H new ATOM 0 HE1 MET A 25 -4.255 -4.941 -2.512 1.00 73.43 H new ATOM 0 HE2 MET A 25 -3.926 -3.196 -2.622 1.00 73.43 H new ATOM 0 HE3 MET A 25 -3.062 -4.190 -1.426 1.00 73.43 H new ATOM 396 N PRO A 26 -3.495 0.940 2.422 1.00 34.15 N ATOM 397 CA PRO A 26 -3.406 2.293 1.890 1.00 25.41 C ATOM 398 C PRO A 26 -3.061 2.218 0.394 1.00 40.34 C ATOM 399 O PRO A 26 -2.230 1.399 -0.004 1.00 0.25 O ATOM 400 CB PRO A 26 -2.331 2.955 2.753 1.00 63.21 C ATOM 401 CG PRO A 26 -1.381 1.817 3.118 1.00 50.11 C ATOM 402 CD PRO A 26 -2.291 0.591 3.164 1.00 62.02 C ATOM 0 HA PRO A 26 -4.328 2.873 1.936 1.00 25.41 H new ATOM 0 HB2 PRO A 26 -1.814 3.744 2.207 1.00 63.21 H new ATOM 0 HB3 PRO A 26 -2.763 3.413 3.643 1.00 63.21 H new ATOM 0 HG2 PRO A 26 -0.590 1.702 2.377 1.00 50.11 H new ATOM 0 HG3 PRO A 26 -0.895 1.992 4.078 1.00 50.11 H new ATOM 0 HD2 PRO A 26 -1.799 -0.274 2.720 1.00 62.02 H new ATOM 0 HD3 PRO A 26 -2.533 0.326 4.193 1.00 62.02 H new ATOM 410 N ILE A 27 -3.707 3.048 -0.428 1.00 61.25 N ATOM 411 CA ILE A 27 -3.698 3.035 -1.896 1.00 24.42 C ATOM 412 C ILE A 27 -3.730 4.511 -2.322 1.00 75.15 C ATOM 413 O ILE A 27 -4.350 5.313 -1.617 1.00 41.24 O ATOM 414 CB ILE A 27 -4.957 2.275 -2.390 1.00 44.43 C ATOM 415 CG1 ILE A 27 -4.864 0.758 -2.103 1.00 53.44 C ATOM 416 CG2 ILE A 27 -5.241 2.479 -3.891 1.00 33.50 C ATOM 417 CD1 ILE A 27 -6.248 0.145 -1.912 1.00 61.23 C ATOM 0 H ILE A 27 -4.291 3.800 -0.062 1.00 61.25 H new ATOM 0 HA ILE A 27 -2.825 2.536 -2.317 1.00 24.42 H new ATOM 0 HB ILE A 27 -5.783 2.706 -1.825 1.00 44.43 H new ATOM 0 HG12 ILE A 27 -4.354 0.260 -2.928 1.00 53.44 H new ATOM 0 HG13 ILE A 27 -4.263 0.591 -1.209 1.00 53.44 H new ATOM 0 HG21 ILE A 27 -6.134 1.921 -4.171 1.00 33.50 H new ATOM 0 HG22 ILE A 27 -5.398 3.539 -4.091 1.00 33.50 H new ATOM 0 HG23 ILE A 27 -4.392 2.122 -4.474 1.00 33.50 H new ATOM 0 HD11 ILE A 27 -6.149 -0.922 -1.712 1.00 61.23 H new ATOM 0 HD12 ILE A 27 -6.747 0.627 -1.071 1.00 61.23 H new ATOM 0 HD13 ILE A 27 -6.839 0.291 -2.816 1.00 61.23 H new ATOM 429 N CYS A 28 -3.100 4.881 -3.440 1.00 75.14 N ATOM 430 CA CYS A 28 -3.142 6.244 -3.960 1.00 53.13 C ATOM 431 C CYS A 28 -4.484 6.523 -4.637 1.00 45.00 C ATOM 432 O CYS A 28 -4.999 5.687 -5.378 1.00 71.14 O ATOM 433 CB CYS A 28 -2.079 6.445 -5.059 1.00 22.00 C ATOM 434 SG CYS A 28 -0.362 6.199 -4.532 1.00 74.40 S ATOM 0 H CYS A 28 -2.546 4.240 -4.009 1.00 75.14 H new ATOM 0 HA CYS A 28 -2.972 6.905 -3.110 1.00 53.13 H new ATOM 0 HB2 CYS A 28 -2.292 5.758 -5.878 1.00 22.00 H new ATOM 0 HB3 CYS A 28 -2.178 7.455 -5.457 1.00 22.00 H new ATOM 0 HG CYS A 28 0.434 6.394 -5.541 1.00 74.40 H new ATOM 440 N MET A 29 -4.957 7.764 -4.523 1.00 14.35 N ATOM 441 CA MET A 29 -6.125 8.249 -5.249 1.00 35.34 C ATOM 442 C MET A 29 -5.804 8.474 -6.734 1.00 14.23 C ATOM 443 O MET A 29 -6.700 8.690 -7.551 1.00 23.12 O ATOM 444 CB MET A 29 -6.586 9.551 -4.580 1.00 51.42 C ATOM 445 CG MET A 29 -8.006 9.912 -4.996 1.00 31.33 C ATOM 446 SD MET A 29 -8.680 11.301 -4.066 1.00 73.22 S ATOM 447 CE MET A 29 -9.397 10.343 -2.719 1.00 41.45 C ATOM 0 H MET A 29 -4.534 8.466 -3.917 1.00 14.35 H new ATOM 0 HA MET A 29 -6.921 7.506 -5.212 1.00 35.34 H new ATOM 0 HB2 MET A 29 -6.538 9.443 -3.496 1.00 51.42 H new ATOM 0 HB3 MET A 29 -5.908 10.361 -4.850 1.00 51.42 H new ATOM 0 HG2 MET A 29 -8.017 10.154 -6.059 1.00 31.33 H new ATOM 0 HG3 MET A 29 -8.651 9.044 -4.860 1.00 31.33 H new ATOM 0 HE1 MET A 29 -10.081 10.972 -2.149 1.00 41.45 H new ATOM 0 HE2 MET A 29 -9.942 9.492 -3.128 1.00 41.45 H new ATOM 0 HE3 MET A 29 -8.603 9.985 -2.064 1.00 41.45 H new ATOM 457 N ASP A 30 -4.524 8.416 -7.093 1.00 52.12 N ATOM 458 CA ASP A 30 -3.962 8.910 -8.346 1.00 42.43 C ATOM 459 C ASP A 30 -3.304 7.764 -9.122 1.00 11.35 C ATOM 460 O ASP A 30 -2.391 7.971 -9.920 1.00 51.52 O ATOM 461 CB ASP A 30 -3.002 10.059 -8.014 1.00 50.22 C ATOM 462 CG ASP A 30 -3.051 11.180 -9.050 1.00 63.25 C ATOM 463 OD1 ASP A 30 -3.878 12.110 -8.868 1.00 64.41 O ATOM 464 OD2 ASP A 30 -2.222 11.208 -9.987 1.00 2.34 O ATOM 0 H ASP A 30 -3.816 8.002 -6.487 1.00 52.12 H new ATOM 0 HA ASP A 30 -4.738 9.300 -9.004 1.00 42.43 H new ATOM 0 HB2 ASP A 30 -3.251 10.464 -7.033 1.00 50.22 H new ATOM 0 HB3 ASP A 30 -1.985 9.672 -7.950 1.00 50.22 H new ATOM 469 N VAL A 31 -3.731 6.529 -8.842 1.00 50.44 N ATOM 470 CA VAL A 31 -3.433 5.340 -9.629 1.00 14.21 C ATOM 471 C VAL A 31 -4.778 4.841 -10.167 1.00 43.13 C ATOM 472 O VAL A 31 -5.809 4.998 -9.502 1.00 52.52 O ATOM 473 CB VAL A 31 -2.678 4.301 -8.763 1.00 20.35 C ATOM 474 CG1 VAL A 31 -2.486 2.957 -9.480 1.00 42.11 C ATOM 475 CG2 VAL A 31 -1.285 4.833 -8.387 1.00 63.14 C ATOM 0 H VAL A 31 -4.315 6.328 -8.030 1.00 50.44 H new ATOM 0 HA VAL A 31 -2.766 5.542 -10.467 1.00 14.21 H new ATOM 0 HB VAL A 31 -3.294 4.141 -7.878 1.00 20.35 H new ATOM 0 HG11 VAL A 31 -1.951 2.269 -8.826 1.00 42.11 H new ATOM 0 HG12 VAL A 31 -3.460 2.536 -9.731 1.00 42.11 H new ATOM 0 HG13 VAL A 31 -1.911 3.111 -10.393 1.00 42.11 H new ATOM 0 HG21 VAL A 31 -0.765 4.093 -7.778 1.00 63.14 H new ATOM 0 HG22 VAL A 31 -0.712 5.024 -9.294 1.00 63.14 H new ATOM 0 HG23 VAL A 31 -1.390 5.759 -7.822 1.00 63.14 H new ATOM 485 N ARG A 32 -4.780 4.235 -11.359 1.00 12.32 N ATOM 486 CA ARG A 32 -5.950 3.561 -11.929 1.00 50.03 C ATOM 487 C ARG A 32 -5.814 2.052 -11.837 1.00 10.53 C ATOM 488 O ARG A 32 -6.798 1.380 -11.538 1.00 34.24 O ATOM 489 CB ARG A 32 -6.215 4.012 -13.374 1.00 22.54 C ATOM 490 CG ARG A 32 -6.276 5.537 -13.567 1.00 61.45 C ATOM 491 CD ARG A 32 -7.282 6.264 -12.666 1.00 40.24 C ATOM 492 NE ARG A 32 -8.648 5.787 -12.908 1.00 74.21 N ATOM 493 CZ ARG A 32 -9.771 6.273 -12.378 1.00 15.15 C ATOM 494 NH1 ARG A 32 -9.764 7.125 -11.363 1.00 53.22 N ATOM 495 NH2 ARG A 32 -10.919 5.870 -12.889 1.00 41.03 N ATOM 0 H ARG A 32 -3.958 4.199 -11.962 1.00 12.32 H new ATOM 0 HA ARG A 32 -6.816 3.852 -11.335 1.00 50.03 H new ATOM 0 HB2 ARG A 32 -5.432 3.609 -14.016 1.00 22.54 H new ATOM 0 HB3 ARG A 32 -7.157 3.578 -13.709 1.00 22.54 H new ATOM 0 HG2 ARG A 32 -5.284 5.951 -13.387 1.00 61.45 H new ATOM 0 HG3 ARG A 32 -6.525 5.747 -14.607 1.00 61.45 H new ATOM 0 HD2 ARG A 32 -7.018 6.107 -11.620 1.00 40.24 H new ATOM 0 HD3 ARG A 32 -7.230 7.337 -12.850 1.00 40.24 H new ATOM 0 HE ARG A 32 -8.750 5.000 -13.549 1.00 74.21 H new ATOM 0 HH11 ARG A 32 -8.878 7.431 -10.960 1.00 53.22 H new ATOM 0 HH12 ARG A 32 -10.644 7.475 -10.985 1.00 53.22 H new ATOM 0 HH21 ARG A 32 -10.927 5.207 -13.664 1.00 41.03 H new ATOM 0 HH22 ARG A 32 -11.798 6.221 -12.508 1.00 41.03 H new ATOM 509 N ALA A 33 -4.600 1.530 -12.022 1.00 61.52 N ATOM 510 CA ALA A 33 -4.320 0.103 -12.041 1.00 11.40 C ATOM 511 C ALA A 33 -4.926 -0.630 -10.844 1.00 35.55 C ATOM 512 O ALA A 33 -5.666 -1.604 -11.014 1.00 44.33 O ATOM 513 CB ALA A 33 -2.807 -0.109 -12.094 1.00 32.33 C ATOM 0 H ALA A 33 -3.770 2.105 -12.165 1.00 61.52 H new ATOM 0 HA ALA A 33 -4.788 -0.321 -12.930 1.00 11.40 H new ATOM 0 HB1 ALA A 33 -2.590 -1.177 -12.108 1.00 32.33 H new ATOM 0 HB2 ALA A 33 -2.406 0.355 -12.995 1.00 32.33 H new ATOM 0 HB3 ALA A 33 -2.345 0.343 -11.216 1.00 32.33 H new ATOM 519 N ILE A 34 -4.596 -0.168 -9.639 1.00 61.11 N ATOM 520 CA ILE A 34 -5.068 -0.714 -8.375 1.00 23.00 C ATOM 521 C ILE A 34 -6.525 -0.317 -8.169 1.00 4.22 C ATOM 522 O ILE A 34 -7.355 -1.195 -7.953 1.00 42.23 O ATOM 523 CB ILE A 34 -4.123 -0.232 -7.250 1.00 35.53 C ATOM 524 CG1 ILE A 34 -2.658 -0.660 -7.499 1.00 12.31 C ATOM 525 CG2 ILE A 34 -4.575 -0.688 -5.857 1.00 73.23 C ATOM 526 CD1 ILE A 34 -2.415 -2.145 -7.788 1.00 61.04 C ATOM 0 H ILE A 34 -3.969 0.627 -9.516 1.00 61.11 H new ATOM 0 HA ILE A 34 -5.044 -1.804 -8.368 1.00 23.00 H new ATOM 0 HB ILE A 34 -4.174 0.857 -7.274 1.00 35.53 H new ATOM 0 HG12 ILE A 34 -2.273 -0.082 -8.339 1.00 12.31 H new ATOM 0 HG13 ILE A 34 -2.069 -0.383 -6.625 1.00 12.31 H new ATOM 0 HG21 ILE A 34 -3.873 -0.320 -5.108 1.00 73.23 H new ATOM 0 HG22 ILE A 34 -5.569 -0.291 -5.649 1.00 73.23 H new ATOM 0 HG23 ILE A 34 -4.604 -1.777 -5.822 1.00 73.23 H new ATOM 0 HD11 ILE A 34 -1.350 -2.316 -7.944 1.00 61.04 H new ATOM 0 HD12 ILE A 34 -2.758 -2.741 -6.942 1.00 61.04 H new ATOM 0 HD13 ILE A 34 -2.964 -2.436 -8.683 1.00 61.04 H new ATOM 538 N MET A 35 -6.843 0.976 -8.284 1.00 13.42 N ATOM 539 CA MET A 35 -8.170 1.549 -8.060 1.00 62.12 C ATOM 540 C MET A 35 -9.276 0.742 -8.745 1.00 72.12 C ATOM 541 O MET A 35 -10.295 0.422 -8.124 1.00 64.40 O ATOM 542 CB MET A 35 -8.144 3.002 -8.557 1.00 54.23 C ATOM 543 CG MET A 35 -9.492 3.712 -8.433 1.00 11.10 C ATOM 544 SD MET A 35 -10.222 3.654 -6.780 1.00 23.54 S ATOM 545 CE MET A 35 -8.967 4.570 -5.841 1.00 22.31 C ATOM 0 H MET A 35 -6.153 1.680 -8.547 1.00 13.42 H new ATOM 0 HA MET A 35 -8.402 1.518 -6.996 1.00 62.12 H new ATOM 0 HB2 MET A 35 -7.396 3.558 -7.992 1.00 54.23 H new ATOM 0 HB3 MET A 35 -7.830 3.015 -9.601 1.00 54.23 H new ATOM 0 HG2 MET A 35 -9.367 4.755 -8.725 1.00 11.10 H new ATOM 0 HG3 MET A 35 -10.190 3.265 -9.140 1.00 11.10 H new ATOM 0 HE1 MET A 35 -9.458 5.272 -5.167 1.00 22.31 H new ATOM 0 HE2 MET A 35 -8.364 3.871 -5.261 1.00 22.31 H new ATOM 0 HE3 MET A 35 -8.325 5.118 -6.530 1.00 22.31 H new ATOM 555 N ALA A 36 -9.061 0.373 -10.012 1.00 14.15 N ATOM 556 CA ALA A 36 -10.012 -0.401 -10.789 1.00 63.33 C ATOM 557 C ALA A 36 -10.403 -1.700 -10.079 1.00 2.33 C ATOM 558 O ALA A 36 -11.575 -2.065 -10.129 1.00 41.23 O ATOM 559 CB ALA A 36 -9.428 -0.696 -12.173 1.00 51.55 C ATOM 0 H ALA A 36 -8.211 0.610 -10.524 1.00 14.15 H new ATOM 0 HA ALA A 36 -10.921 0.190 -10.899 1.00 63.33 H new ATOM 0 HB1 ALA A 36 -10.144 -1.277 -12.754 1.00 51.55 H new ATOM 0 HB2 ALA A 36 -9.220 0.242 -12.688 1.00 51.55 H new ATOM 0 HB3 ALA A 36 -8.504 -1.263 -12.064 1.00 51.55 H new ATOM 565 N THR A 37 -9.473 -2.377 -9.395 1.00 22.11 N ATOM 566 CA THR A 37 -9.755 -3.618 -8.684 1.00 52.22 C ATOM 567 C THR A 37 -10.835 -3.383 -7.645 1.00 15.43 C ATOM 568 O THR A 37 -11.823 -4.121 -7.609 1.00 35.44 O ATOM 569 CB THR A 37 -8.497 -4.171 -7.987 1.00 12.21 C ATOM 570 OG1 THR A 37 -7.415 -4.250 -8.898 1.00 22.13 O ATOM 571 CG2 THR A 37 -8.751 -5.549 -7.350 1.00 41.14 C ATOM 0 H THR A 37 -8.502 -2.074 -9.322 1.00 22.11 H new ATOM 0 HA THR A 37 -10.092 -4.350 -9.418 1.00 52.22 H new ATOM 0 HB THR A 37 -8.242 -3.476 -7.187 1.00 12.21 H new ATOM 0 HG1 THR A 37 -6.571 -4.127 -8.415 1.00 22.13 H new ATOM 0 HG21 THR A 37 -7.838 -5.902 -6.870 1.00 41.14 H new ATOM 0 HG22 THR A 37 -9.543 -5.466 -6.606 1.00 41.14 H new ATOM 0 HG23 THR A 37 -9.051 -6.257 -8.122 1.00 41.14 H new ATOM 579 N ILE A 38 -10.626 -2.381 -6.794 1.00 41.44 N ATOM 580 CA ILE A 38 -11.526 -2.089 -5.695 1.00 20.54 C ATOM 581 C ILE A 38 -12.894 -1.815 -6.274 1.00 53.31 C ATOM 582 O ILE A 38 -13.832 -2.525 -5.933 1.00 53.13 O ATOM 583 CB ILE A 38 -10.970 -0.946 -4.834 1.00 42.43 C ATOM 584 CG1 ILE A 38 -9.647 -1.432 -4.194 1.00 41.14 C ATOM 585 CG2 ILE A 38 -11.987 -0.491 -3.777 1.00 13.32 C ATOM 586 CD1 ILE A 38 -8.465 -0.663 -4.773 1.00 23.31 C ATOM 0 H ILE A 38 -9.825 -1.752 -6.852 1.00 41.44 H new ATOM 0 HA ILE A 38 -11.616 -2.937 -5.016 1.00 20.54 H new ATOM 0 HB ILE A 38 -10.775 -0.071 -5.455 1.00 42.43 H new ATOM 0 HG12 ILE A 38 -9.685 -1.293 -3.114 1.00 41.14 H new ATOM 0 HG13 ILE A 38 -9.519 -2.499 -4.374 1.00 41.14 H new ATOM 0 HG21 ILE A 38 -11.560 0.319 -3.186 1.00 13.32 H new ATOM 0 HG22 ILE A 38 -12.893 -0.141 -4.271 1.00 13.32 H new ATOM 0 HG23 ILE A 38 -12.231 -1.328 -3.123 1.00 13.32 H new ATOM 0 HD11 ILE A 38 -7.541 -1.015 -4.314 1.00 23.31 H new ATOM 0 HD12 ILE A 38 -8.419 -0.824 -5.850 1.00 23.31 H new ATOM 0 HD13 ILE A 38 -8.588 0.401 -4.570 1.00 23.31 H new ATOM 598 N GLN A 39 -12.999 -0.866 -7.203 1.00 70.33 N ATOM 599 CA GLN A 39 -14.308 -0.465 -7.696 1.00 73.22 C ATOM 600 C GLN A 39 -14.976 -1.592 -8.508 1.00 74.31 C ATOM 601 O GLN A 39 -16.195 -1.571 -8.690 1.00 61.52 O ATOM 602 CB GLN A 39 -14.209 0.870 -8.451 1.00 23.54 C ATOM 603 CG GLN A 39 -13.705 1.984 -7.509 1.00 74.50 C ATOM 604 CD GLN A 39 -14.051 3.377 -8.027 1.00 64.53 C ATOM 605 OE1 GLN A 39 -15.206 3.793 -8.015 1.00 43.31 O ATOM 606 NE2 GLN A 39 -13.070 4.149 -8.456 1.00 43.50 N ATOM 0 H GLN A 39 -12.210 -0.372 -7.620 1.00 70.33 H new ATOM 0 HA GLN A 39 -14.971 -0.293 -6.848 1.00 73.22 H new ATOM 0 HB2 GLN A 39 -13.531 0.767 -9.298 1.00 23.54 H new ATOM 0 HB3 GLN A 39 -15.185 1.140 -8.855 1.00 23.54 H new ATOM 0 HG2 GLN A 39 -14.143 1.847 -6.520 1.00 74.50 H new ATOM 0 HG3 GLN A 39 -12.624 1.899 -7.394 1.00 74.50 H new ATOM 0 HE21 GLN A 39 -12.112 3.799 -8.464 1.00 43.50 H new ATOM 0 HE22 GLN A 39 -13.270 5.095 -8.779 1.00 43.50 H new ATOM 615 N ARG A 40 -14.230 -2.610 -8.964 1.00 12.13 N ATOM 616 CA ARG A 40 -14.785 -3.849 -9.514 1.00 23.42 C ATOM 617 C ARG A 40 -15.312 -4.765 -8.410 1.00 13.24 C ATOM 618 O ARG A 40 -16.481 -5.147 -8.456 1.00 35.33 O ATOM 619 CB ARG A 40 -13.758 -4.566 -10.418 1.00 40.11 C ATOM 620 CG ARG A 40 -13.582 -3.840 -11.762 1.00 75.34 C ATOM 621 CD ARG A 40 -13.900 -4.693 -12.993 1.00 25.44 C ATOM 622 NE ARG A 40 -14.098 -3.806 -14.150 1.00 13.33 N ATOM 623 CZ ARG A 40 -14.360 -4.131 -15.419 1.00 41.10 C ATOM 624 NH1 ARG A 40 -14.413 -5.388 -15.842 1.00 51.30 N ATOM 625 NH2 ARG A 40 -14.574 -3.156 -16.291 1.00 42.00 N ATOM 0 H ARG A 40 -13.210 -2.592 -8.959 1.00 12.13 H new ATOM 0 HA ARG A 40 -15.637 -3.583 -10.139 1.00 23.42 H new ATOM 0 HB2 ARG A 40 -12.798 -4.622 -9.905 1.00 40.11 H new ATOM 0 HB3 ARG A 40 -14.083 -5.591 -10.597 1.00 40.11 H new ATOM 0 HG2 ARG A 40 -14.224 -2.959 -11.771 1.00 75.34 H new ATOM 0 HG3 ARG A 40 -12.554 -3.486 -11.837 1.00 75.34 H new ATOM 0 HD2 ARG A 40 -13.086 -5.391 -13.188 1.00 25.44 H new ATOM 0 HD3 ARG A 40 -14.796 -5.289 -12.817 1.00 25.44 H new ATOM 0 HE ARG A 40 -14.025 -2.807 -13.957 1.00 13.33 H new ATOM 0 HH11 ARG A 40 -14.250 -6.154 -15.188 1.00 51.30 H new ATOM 0 HH12 ARG A 40 -14.617 -5.588 -16.821 1.00 51.30 H new ATOM 0 HH21 ARG A 40 -14.537 -2.183 -15.987 1.00 42.00 H new ATOM 0 HH22 ARG A 40 -14.776 -3.379 -17.266 1.00 42.00 H new ATOM 639 N LYS A 41 -14.464 -5.182 -7.463 1.00 42.41 N ATOM 640 CA LYS A 41 -14.780 -6.209 -6.465 1.00 32.30 C ATOM 641 C LYS A 41 -15.766 -5.666 -5.438 1.00 23.15 C ATOM 642 O LYS A 41 -16.731 -6.346 -5.090 1.00 44.22 O ATOM 643 CB LYS A 41 -13.475 -6.701 -5.802 1.00 54.30 C ATOM 644 CG LYS A 41 -13.600 -7.993 -4.974 1.00 71.40 C ATOM 645 CD LYS A 41 -14.232 -7.782 -3.589 1.00 24.44 C ATOM 646 CE LYS A 41 -13.647 -8.718 -2.520 1.00 32.53 C ATOM 647 NZ LYS A 41 -14.038 -10.133 -2.679 1.00 13.04 N ATOM 0 H LYS A 41 -13.520 -4.807 -7.367 1.00 42.41 H new ATOM 0 HA LYS A 41 -15.257 -7.060 -6.952 1.00 32.30 H new ATOM 0 HB2 LYS A 41 -12.729 -6.860 -6.581 1.00 54.30 H new ATOM 0 HB3 LYS A 41 -13.096 -5.910 -5.155 1.00 54.30 H new ATOM 0 HG2 LYS A 41 -14.199 -8.714 -5.531 1.00 71.40 H new ATOM 0 HG3 LYS A 41 -12.610 -8.431 -4.849 1.00 71.40 H new ATOM 0 HD2 LYS A 41 -14.083 -6.747 -3.280 1.00 24.44 H new ATOM 0 HD3 LYS A 41 -15.308 -7.943 -3.657 1.00 24.44 H new ATOM 0 HE2 LYS A 41 -12.560 -8.647 -2.546 1.00 32.53 H new ATOM 0 HE3 LYS A 41 -13.965 -8.373 -1.536 1.00 32.53 H new ATOM 0 HZ1 LYS A 41 -13.605 -10.700 -1.922 1.00 13.04 H new ATOM 0 HZ2 LYS A 41 -15.073 -10.215 -2.624 1.00 13.04 H new ATOM 0 HZ3 LYS A 41 -13.711 -10.482 -3.603 1.00 13.04 H new ATOM 661 N TYR A 42 -15.516 -4.469 -4.923 1.00 43.01 N ATOM 662 CA TYR A 42 -16.339 -3.778 -3.952 1.00 1.40 C ATOM 663 C TYR A 42 -17.155 -2.733 -4.722 1.00 41.51 C ATOM 664 O TYR A 42 -16.640 -1.665 -5.048 1.00 21.54 O ATOM 665 CB TYR A 42 -15.439 -3.138 -2.875 1.00 33.22 C ATOM 666 CG TYR A 42 -14.649 -4.126 -2.034 1.00 15.25 C ATOM 667 CD1 TYR A 42 -15.270 -4.775 -0.948 1.00 24.21 C ATOM 668 CD2 TYR A 42 -13.303 -4.414 -2.344 1.00 13.43 C ATOM 669 CE1 TYR A 42 -14.571 -5.743 -0.215 1.00 14.45 C ATOM 670 CE2 TYR A 42 -12.599 -5.388 -1.609 1.00 54.15 C ATOM 671 CZ TYR A 42 -13.240 -6.059 -0.540 1.00 62.42 C ATOM 672 OH TYR A 42 -12.639 -7.047 0.169 1.00 71.31 O ATOM 0 H TYR A 42 -14.691 -3.931 -5.188 1.00 43.01 H new ATOM 0 HA TYR A 42 -17.017 -4.456 -3.433 1.00 1.40 H new ATOM 0 HB2 TYR A 42 -14.741 -2.458 -3.363 1.00 33.22 H new ATOM 0 HB3 TYR A 42 -16.061 -2.535 -2.213 1.00 33.22 H new ATOM 0 HD1 TYR A 42 -16.286 -4.526 -0.680 1.00 24.21 H new ATOM 0 HD2 TYR A 42 -12.811 -3.886 -3.147 1.00 13.43 H new ATOM 0 HE1 TYR A 42 -15.058 -6.250 0.605 1.00 14.45 H new ATOM 0 HE2 TYR A 42 -11.575 -5.622 -1.860 1.00 54.15 H new ATOM 0 HH TYR A 42 -11.825 -7.334 -0.295 1.00 71.31 H new ATOM 682 N LYS A 43 -18.412 -3.017 -5.080 1.00 62.24 N ATOM 683 CA LYS A 43 -19.207 -2.062 -5.853 1.00 73.41 C ATOM 684 C LYS A 43 -19.654 -0.862 -5.016 1.00 51.34 C ATOM 685 O LYS A 43 -19.726 0.251 -5.528 1.00 33.24 O ATOM 686 CB LYS A 43 -20.388 -2.778 -6.531 1.00 40.42 C ATOM 687 CG LYS A 43 -21.442 -3.383 -5.581 1.00 75.11 C ATOM 688 CD LYS A 43 -22.829 -2.776 -5.785 1.00 54.11 C ATOM 689 CE LYS A 43 -22.885 -1.301 -5.377 1.00 20.43 C ATOM 690 NZ LYS A 43 -24.189 -0.699 -5.682 1.00 75.40 N ATOM 0 H LYS A 43 -18.893 -3.887 -4.850 1.00 62.24 H new ATOM 0 HA LYS A 43 -18.570 -1.651 -6.636 1.00 73.41 H new ATOM 0 HB2 LYS A 43 -20.887 -2.069 -7.192 1.00 40.42 H new ATOM 0 HB3 LYS A 43 -19.992 -3.576 -7.159 1.00 40.42 H new ATOM 0 HG2 LYS A 43 -21.493 -4.460 -5.739 1.00 75.11 H new ATOM 0 HG3 LYS A 43 -21.129 -3.227 -4.549 1.00 75.11 H new ATOM 0 HD2 LYS A 43 -23.114 -2.872 -6.833 1.00 54.11 H new ATOM 0 HD3 LYS A 43 -23.559 -3.339 -5.203 1.00 54.11 H new ATOM 0 HE2 LYS A 43 -22.684 -1.212 -4.309 1.00 20.43 H new ATOM 0 HE3 LYS A 43 -22.100 -0.750 -5.896 1.00 20.43 H new ATOM 0 HZ1 LYS A 43 -24.187 0.299 -5.391 1.00 75.40 H new ATOM 0 HZ2 LYS A 43 -24.370 -0.761 -6.704 1.00 75.40 H new ATOM 0 HZ3 LYS A 43 -24.935 -1.208 -5.167 1.00 75.40 H new ATOM 704 N GLY A 44 -19.985 -1.076 -3.739 1.00 64.51 N ATOM 705 CA GLY A 44 -20.740 -0.112 -2.939 1.00 11.01 C ATOM 706 C GLY A 44 -19.908 1.026 -2.363 1.00 10.14 C ATOM 707 O GLY A 44 -20.453 1.928 -1.730 1.00 52.35 O ATOM 0 H GLY A 44 -19.736 -1.925 -3.232 1.00 64.51 H new ATOM 0 HA2 GLY A 44 -21.532 0.311 -3.557 1.00 11.01 H new ATOM 0 HA3 GLY A 44 -21.224 -0.641 -2.119 1.00 11.01 H new ATOM 711 N ILE A 45 -18.589 0.985 -2.523 1.00 62.32 N ATOM 712 CA ILE A 45 -17.692 1.932 -1.888 1.00 14.00 C ATOM 713 C ILE A 45 -17.685 3.251 -2.667 1.00 32.10 C ATOM 714 O ILE A 45 -17.583 3.275 -3.900 1.00 21.01 O ATOM 715 CB ILE A 45 -16.311 1.274 -1.664 1.00 44.33 C ATOM 716 CG1 ILE A 45 -15.224 2.274 -1.246 1.00 51.44 C ATOM 717 CG2 ILE A 45 -15.835 0.373 -2.810 1.00 32.02 C ATOM 718 CD1 ILE A 45 -14.433 2.928 -2.385 1.00 30.22 C ATOM 0 H ILE A 45 -18.115 0.290 -3.100 1.00 62.32 H new ATOM 0 HA ILE A 45 -18.040 2.202 -0.891 1.00 14.00 H new ATOM 0 HB ILE A 45 -16.482 0.607 -0.819 1.00 44.33 H new ATOM 0 HG12 ILE A 45 -15.692 3.063 -0.657 1.00 51.44 H new ATOM 0 HG13 ILE A 45 -14.520 1.761 -0.590 1.00 51.44 H new ATOM 0 HG21 ILE A 45 -14.858 -0.044 -2.564 1.00 32.02 H new ATOM 0 HG22 ILE A 45 -16.549 -0.437 -2.956 1.00 32.02 H new ATOM 0 HG23 ILE A 45 -15.759 0.959 -3.726 1.00 32.02 H new ATOM 0 HD11 ILE A 45 -13.695 3.614 -1.969 1.00 30.22 H new ATOM 0 HD12 ILE A 45 -13.925 2.157 -2.965 1.00 30.22 H new ATOM 0 HD13 ILE A 45 -15.115 3.479 -3.032 1.00 30.22 H new ATOM 730 N LYS A 46 -17.754 4.354 -1.920 1.00 14.23 N ATOM 731 CA LYS A 46 -17.533 5.720 -2.377 1.00 2.54 C ATOM 732 C LYS A 46 -16.072 6.086 -2.132 1.00 41.34 C ATOM 733 O LYS A 46 -15.556 5.848 -1.037 1.00 64.44 O ATOM 734 CB LYS A 46 -18.505 6.637 -1.619 1.00 61.51 C ATOM 735 CG LYS A 46 -18.345 8.127 -1.959 1.00 15.34 C ATOM 736 CD LYS A 46 -17.655 8.934 -0.846 1.00 35.12 C ATOM 737 CE LYS A 46 -18.580 9.121 0.371 1.00 24.30 C ATOM 738 NZ LYS A 46 -18.051 8.512 1.612 1.00 25.10 N ATOM 0 H LYS A 46 -17.978 4.312 -0.926 1.00 14.23 H new ATOM 0 HA LYS A 46 -17.724 5.831 -3.444 1.00 2.54 H new ATOM 0 HB2 LYS A 46 -19.527 6.331 -1.842 1.00 61.51 H new ATOM 0 HB3 LYS A 46 -18.358 6.501 -0.548 1.00 61.51 H new ATOM 0 HG2 LYS A 46 -17.768 8.223 -2.879 1.00 15.34 H new ATOM 0 HG3 LYS A 46 -19.328 8.556 -2.153 1.00 15.34 H new ATOM 0 HD2 LYS A 46 -16.743 8.423 -0.536 1.00 35.12 H new ATOM 0 HD3 LYS A 46 -17.359 9.909 -1.232 1.00 35.12 H new ATOM 0 HE2 LYS A 46 -18.738 10.187 0.537 1.00 24.30 H new ATOM 0 HE3 LYS A 46 -19.554 8.685 0.148 1.00 24.30 H new ATOM 0 HZ1 LYS A 46 -18.687 8.732 2.405 1.00 25.10 H new ATOM 0 HZ2 LYS A 46 -17.989 7.481 1.493 1.00 25.10 H new ATOM 0 HZ3 LYS A 46 -17.105 8.895 1.811 1.00 25.10 H new ATOM 752 N ILE A 47 -15.416 6.661 -3.137 1.00 70.21 N ATOM 753 CA ILE A 47 -14.042 7.133 -3.060 1.00 43.44 C ATOM 754 C ILE A 47 -14.034 8.454 -2.288 1.00 21.30 C ATOM 755 O ILE A 47 -14.952 9.263 -2.424 1.00 44.15 O ATOM 756 CB ILE A 47 -13.465 7.272 -4.490 1.00 30.54 C ATOM 757 CG1 ILE A 47 -13.565 5.953 -5.296 1.00 31.55 C ATOM 758 CG2 ILE A 47 -12.010 7.775 -4.479 1.00 41.44 C ATOM 759 CD1 ILE A 47 -12.722 4.805 -4.748 1.00 60.23 C ATOM 0 H ILE A 47 -15.840 6.814 -4.052 1.00 70.21 H new ATOM 0 HA ILE A 47 -13.405 6.426 -2.529 1.00 43.44 H new ATOM 0 HB ILE A 47 -14.082 8.019 -4.989 1.00 30.54 H new ATOM 0 HG12 ILE A 47 -14.608 5.638 -5.324 1.00 31.55 H new ATOM 0 HG13 ILE A 47 -13.263 6.148 -6.325 1.00 31.55 H new ATOM 0 HG21 ILE A 47 -11.646 7.858 -5.503 1.00 41.44 H new ATOM 0 HG22 ILE A 47 -11.967 8.752 -3.998 1.00 41.44 H new ATOM 0 HG23 ILE A 47 -11.386 7.072 -3.928 1.00 41.44 H new ATOM 0 HD11 ILE A 47 -12.855 3.924 -5.376 1.00 60.23 H new ATOM 0 HD12 ILE A 47 -11.671 5.094 -4.746 1.00 60.23 H new ATOM 0 HD13 ILE A 47 -13.037 4.576 -3.730 1.00 60.23 H new ATOM 771 N GLN A 48 -12.999 8.629 -1.474 1.00 30.10 N ATOM 772 CA GLN A 48 -12.675 9.777 -0.635 1.00 71.24 C ATOM 773 C GLN A 48 -11.223 9.602 -0.177 1.00 22.45 C ATOM 774 O GLN A 48 -10.570 8.655 -0.606 1.00 73.23 O ATOM 775 CB GLN A 48 -13.646 9.863 0.550 1.00 14.12 C ATOM 776 CG GLN A 48 -13.726 8.546 1.333 1.00 13.22 C ATOM 777 CD GLN A 48 -14.318 8.800 2.704 1.00 61.13 C ATOM 778 OE1 GLN A 48 -15.505 9.098 2.834 1.00 4.52 O ATOM 779 NE2 GLN A 48 -13.510 8.701 3.738 1.00 25.21 N ATOM 0 H GLN A 48 -12.296 7.897 -1.376 1.00 30.10 H new ATOM 0 HA GLN A 48 -12.777 10.713 -1.184 1.00 71.24 H new ATOM 0 HB2 GLN A 48 -13.329 10.663 1.219 1.00 14.12 H new ATOM 0 HB3 GLN A 48 -14.639 10.127 0.185 1.00 14.12 H new ATOM 0 HG2 GLN A 48 -14.338 7.826 0.790 1.00 13.22 H new ATOM 0 HG3 GLN A 48 -12.732 8.109 1.431 1.00 13.22 H new ATOM 0 HE21 GLN A 48 -12.531 8.452 3.598 1.00 25.21 H new ATOM 0 HE22 GLN A 48 -13.863 8.873 4.679 1.00 25.21 H new ATOM 788 N GLU A 49 -10.695 10.474 0.685 1.00 33.45 N ATOM 789 CA GLU A 49 -9.254 10.525 0.988 1.00 50.55 C ATOM 790 C GLU A 49 -8.962 10.196 2.461 1.00 31.03 C ATOM 791 O GLU A 49 -7.857 10.439 2.947 1.00 63.23 O ATOM 792 CB GLU A 49 -8.624 11.852 0.508 1.00 3.32 C ATOM 793 CG GLU A 49 -9.310 13.069 1.119 1.00 11.14 C ATOM 794 CD GLU A 49 -8.716 14.420 0.723 1.00 51.21 C ATOM 795 OE1 GLU A 49 -8.919 14.872 -0.429 1.00 32.41 O ATOM 796 OE2 GLU A 49 -8.224 15.112 1.643 1.00 64.52 O ATOM 0 H GLU A 49 -11.248 11.164 1.193 1.00 33.45 H new ATOM 0 HA GLU A 49 -8.763 9.737 0.417 1.00 50.55 H new ATOM 0 HB2 GLU A 49 -7.566 11.865 0.768 1.00 3.32 H new ATOM 0 HB3 GLU A 49 -8.686 11.910 -0.579 1.00 3.32 H new ATOM 0 HG2 GLU A 49 -10.362 13.055 0.833 1.00 11.14 H new ATOM 0 HG3 GLU A 49 -9.274 12.979 2.205 1.00 11.14 H new ATOM 803 N GLY A 50 -9.953 9.662 3.178 1.00 21.23 N ATOM 804 CA GLY A 50 -9.876 9.195 4.560 1.00 2.44 C ATOM 805 C GLY A 50 -10.432 7.780 4.671 1.00 10.02 C ATOM 806 O GLY A 50 -11.040 7.320 3.709 1.00 61.20 O ATOM 0 H GLY A 50 -10.886 9.538 2.784 1.00 21.23 H new ATOM 0 HA2 GLY A 50 -8.841 9.214 4.901 1.00 2.44 H new ATOM 0 HA3 GLY A 50 -10.438 9.866 5.210 1.00 2.44 H new ATOM 810 N ILE A 51 -10.283 7.138 5.842 1.00 50.30 N ATOM 811 CA ILE A 51 -10.622 5.731 6.105 1.00 72.30 C ATOM 812 C ILE A 51 -11.985 5.384 5.508 1.00 10.24 C ATOM 813 O ILE A 51 -12.974 6.053 5.798 1.00 55.24 O ATOM 814 CB ILE A 51 -10.658 5.440 7.634 1.00 70.10 C ATOM 815 CG1 ILE A 51 -9.311 5.615 8.369 1.00 13.34 C ATOM 816 CG2 ILE A 51 -11.241 4.050 7.978 1.00 71.11 C ATOM 817 CD1 ILE A 51 -8.327 4.439 8.269 1.00 74.12 C ATOM 0 H ILE A 51 -9.907 7.607 6.666 1.00 50.30 H new ATOM 0 HA ILE A 51 -9.849 5.119 5.640 1.00 72.30 H new ATOM 0 HB ILE A 51 -11.329 6.216 8.002 1.00 70.10 H new ATOM 0 HG12 ILE A 51 -8.821 6.507 7.978 1.00 13.34 H new ATOM 0 HG13 ILE A 51 -9.517 5.801 9.423 1.00 13.34 H new ATOM 0 HG21 ILE A 51 -11.237 3.911 9.059 1.00 71.11 H new ATOM 0 HG22 ILE A 51 -12.264 3.982 7.607 1.00 71.11 H new ATOM 0 HG23 ILE A 51 -10.634 3.275 7.511 1.00 71.11 H new ATOM 0 HD11 ILE A 51 -7.419 4.676 8.823 1.00 74.12 H new ATOM 0 HD12 ILE A 51 -8.785 3.544 8.690 1.00 74.12 H new ATOM 0 HD13 ILE A 51 -8.078 4.261 7.223 1.00 74.12 H new ATOM 829 N VAL A 52 -12.045 4.294 4.749 1.00 24.23 N ATOM 830 CA VAL A 52 -13.262 3.733 4.202 1.00 43.24 C ATOM 831 C VAL A 52 -13.313 2.284 4.675 1.00 41.12 C ATOM 832 O VAL A 52 -12.438 1.479 4.344 1.00 13.11 O ATOM 833 CB VAL A 52 -13.275 3.895 2.671 1.00 51.31 C ATOM 834 CG1 VAL A 52 -14.623 3.453 2.106 1.00 53.32 C ATOM 835 CG2 VAL A 52 -13.025 5.354 2.259 1.00 5.24 C ATOM 0 H VAL A 52 -11.213 3.762 4.492 1.00 24.23 H new ATOM 0 HA VAL A 52 -14.160 4.247 4.546 1.00 43.24 H new ATOM 0 HB VAL A 52 -12.475 3.272 2.271 1.00 51.31 H new ATOM 0 HG11 VAL A 52 -14.620 3.572 1.023 1.00 53.32 H new ATOM 0 HG12 VAL A 52 -14.796 2.406 2.355 1.00 53.32 H new ATOM 0 HG13 VAL A 52 -15.416 4.065 2.536 1.00 53.32 H new ATOM 0 HG21 VAL A 52 -13.041 5.433 1.172 1.00 5.24 H new ATOM 0 HG22 VAL A 52 -13.804 5.990 2.680 1.00 5.24 H new ATOM 0 HG23 VAL A 52 -12.053 5.676 2.632 1.00 5.24 H new ATOM 845 N ASP A 53 -14.300 1.973 5.509 1.00 31.03 N ATOM 846 CA ASP A 53 -14.544 0.652 6.071 1.00 22.02 C ATOM 847 C ASP A 53 -15.602 -0.046 5.230 1.00 12.40 C ATOM 848 O ASP A 53 -16.799 0.174 5.430 1.00 24.02 O ATOM 849 CB ASP A 53 -15.002 0.801 7.523 1.00 61.53 C ATOM 850 CG ASP A 53 -15.727 -0.437 8.046 1.00 54.13 C ATOM 851 OD1 ASP A 53 -15.139 -1.541 7.994 1.00 63.32 O ATOM 852 OD2 ASP A 53 -16.875 -0.309 8.538 1.00 70.50 O ATOM 0 H ASP A 53 -14.980 2.665 5.824 1.00 31.03 H new ATOM 0 HA ASP A 53 -13.634 0.052 6.060 1.00 22.02 H new ATOM 0 HB2 ASP A 53 -14.136 1.002 8.153 1.00 61.53 H new ATOM 0 HB3 ASP A 53 -15.663 1.664 7.604 1.00 61.53 H new ATOM 857 N TYR A 54 -15.183 -0.864 4.270 1.00 62.04 N ATOM 858 CA TYR A 54 -16.115 -1.670 3.485 1.00 74.15 C ATOM 859 C TYR A 54 -15.390 -2.897 2.944 1.00 21.10 C ATOM 860 O TYR A 54 -14.928 -2.942 1.803 1.00 75.40 O ATOM 861 CB TYR A 54 -16.794 -0.850 2.371 1.00 25.54 C ATOM 862 CG TYR A 54 -17.852 -1.640 1.621 1.00 31.40 C ATOM 863 CD1 TYR A 54 -19.016 -2.068 2.288 1.00 42.32 C ATOM 864 CD2 TYR A 54 -17.661 -1.982 0.270 1.00 22.11 C ATOM 865 CE1 TYR A 54 -19.975 -2.846 1.616 1.00 63.05 C ATOM 866 CE2 TYR A 54 -18.615 -2.756 -0.412 1.00 33.03 C ATOM 867 CZ TYR A 54 -19.776 -3.199 0.263 1.00 42.14 C ATOM 868 OH TYR A 54 -20.686 -3.990 -0.370 1.00 14.33 O ATOM 0 H TYR A 54 -14.203 -0.987 4.016 1.00 62.04 H new ATOM 0 HA TYR A 54 -16.924 -2.005 4.135 1.00 74.15 H new ATOM 0 HB2 TYR A 54 -17.251 0.038 2.807 1.00 25.54 H new ATOM 0 HB3 TYR A 54 -16.037 -0.506 1.667 1.00 25.54 H new ATOM 0 HD1 TYR A 54 -19.173 -1.797 3.322 1.00 42.32 H new ATOM 0 HD2 TYR A 54 -16.774 -1.647 -0.247 1.00 22.11 H new ATOM 0 HE1 TYR A 54 -20.864 -3.174 2.134 1.00 63.05 H new ATOM 0 HE2 TYR A 54 -18.462 -3.012 -1.450 1.00 33.03 H new ATOM 0 HH TYR A 54 -20.402 -4.138 -1.296 1.00 14.33 H new ATOM 878 N GLY A 55 -15.268 -3.915 3.783 1.00 31.34 N ATOM 879 CA GLY A 55 -14.444 -5.068 3.530 1.00 74.43 C ATOM 880 C GLY A 55 -13.089 -4.733 4.107 1.00 73.12 C ATOM 881 O GLY A 55 -12.918 -4.687 5.324 1.00 33.34 O ATOM 0 H GLY A 55 -15.755 -3.955 4.678 1.00 31.34 H new ATOM 0 HA2 GLY A 55 -14.861 -5.959 4.000 1.00 74.43 H new ATOM 0 HA3 GLY A 55 -14.375 -5.274 2.462 1.00 74.43 H new ATOM 885 N VAL A 56 -12.170 -4.396 3.218 1.00 64.14 N ATOM 886 CA VAL A 56 -10.815 -3.995 3.570 1.00 2.14 C ATOM 887 C VAL A 56 -10.883 -2.595 4.177 1.00 32.54 C ATOM 888 O VAL A 56 -11.691 -1.767 3.737 1.00 45.23 O ATOM 889 CB VAL A 56 -9.910 -4.036 2.320 1.00 63.21 C ATOM 890 CG1 VAL A 56 -8.470 -3.577 2.592 1.00 1.21 C ATOM 891 CG2 VAL A 56 -9.823 -5.448 1.732 1.00 23.22 C ATOM 0 H VAL A 56 -12.346 -4.393 2.213 1.00 64.14 H new ATOM 0 HA VAL A 56 -10.382 -4.680 4.299 1.00 2.14 H new ATOM 0 HB VAL A 56 -10.383 -3.345 1.622 1.00 63.21 H new ATOM 0 HG11 VAL A 56 -7.891 -3.631 1.670 1.00 1.21 H new ATOM 0 HG12 VAL A 56 -8.478 -2.549 2.955 1.00 1.21 H new ATOM 0 HG13 VAL A 56 -8.018 -4.224 3.344 1.00 1.21 H new ATOM 0 HG21 VAL A 56 -9.178 -5.437 0.854 1.00 23.22 H new ATOM 0 HG22 VAL A 56 -9.410 -6.128 2.477 1.00 23.22 H new ATOM 0 HG23 VAL A 56 -10.819 -5.785 1.446 1.00 23.22 H new ATOM 901 N ARG A 57 -10.011 -2.302 5.145 1.00 40.41 N ATOM 902 CA ARG A 57 -9.802 -0.940 5.624 1.00 11.23 C ATOM 903 C ARG A 57 -8.921 -0.217 4.612 1.00 64.10 C ATOM 904 O ARG A 57 -7.690 -0.171 4.747 1.00 1.01 O ATOM 905 CB ARG A 57 -9.152 -0.945 7.022 1.00 71.44 C ATOM 906 CG ARG A 57 -10.144 -1.373 8.105 1.00 23.33 C ATOM 907 CD ARG A 57 -9.542 -1.311 9.513 1.00 13.03 C ATOM 908 NE ARG A 57 -10.605 -1.093 10.504 1.00 54.35 N ATOM 909 CZ ARG A 57 -10.472 -0.457 11.668 1.00 13.20 C ATOM 910 NH1 ARG A 57 -9.279 -0.294 12.223 1.00 62.45 N ATOM 911 NH2 ARG A 57 -11.552 0.008 12.284 1.00 11.40 N ATOM 0 H ARG A 57 -9.435 -3.000 5.614 1.00 40.41 H new ATOM 0 HA ARG A 57 -10.757 -0.424 5.719 1.00 11.23 H new ATOM 0 HB2 ARG A 57 -8.297 -1.621 7.024 1.00 71.44 H new ATOM 0 HB3 ARG A 57 -8.771 0.051 7.250 1.00 71.44 H new ATOM 0 HG2 ARG A 57 -11.024 -0.731 8.061 1.00 23.33 H new ATOM 0 HG3 ARG A 57 -10.481 -2.390 7.902 1.00 23.33 H new ATOM 0 HD2 ARG A 57 -9.013 -2.238 9.733 1.00 13.03 H new ATOM 0 HD3 ARG A 57 -8.810 -0.505 9.569 1.00 13.03 H new ATOM 0 HE ARG A 57 -11.529 -1.462 10.281 1.00 54.35 H new ATOM 0 HH11 ARG A 57 -8.447 -0.658 11.759 1.00 62.45 H new ATOM 0 HH12 ARG A 57 -9.194 0.195 13.114 1.00 62.45 H new ATOM 0 HH21 ARG A 57 -12.473 -0.123 11.866 1.00 11.40 H new ATOM 0 HH22 ARG A 57 -11.461 0.496 13.175 1.00 11.40 H new ATOM 925 N PHE A 58 -9.533 0.327 3.564 1.00 1.13 N ATOM 926 CA PHE A 58 -8.842 1.164 2.600 1.00 74.14 C ATOM 927 C PHE A 58 -8.747 2.563 3.192 1.00 2.34 C ATOM 928 O PHE A 58 -9.761 3.215 3.435 1.00 53.43 O ATOM 929 CB PHE A 58 -9.584 1.167 1.273 1.00 35.42 C ATOM 930 CG PHE A 58 -9.711 -0.182 0.573 1.00 53.55 C ATOM 931 CD1 PHE A 58 -8.570 -0.951 0.292 1.00 60.04 C ATOM 932 CD2 PHE A 58 -10.959 -0.638 0.112 1.00 54.11 C ATOM 933 CE1 PHE A 58 -8.679 -2.151 -0.435 1.00 41.43 C ATOM 934 CE2 PHE A 58 -11.074 -1.845 -0.595 1.00 31.12 C ATOM 935 CZ PHE A 58 -9.932 -2.604 -0.875 1.00 25.33 C ATOM 0 H PHE A 58 -10.524 0.197 3.363 1.00 1.13 H new ATOM 0 HA PHE A 58 -7.841 0.782 2.400 1.00 74.14 H new ATOM 0 HB2 PHE A 58 -10.586 1.562 1.441 1.00 35.42 H new ATOM 0 HB3 PHE A 58 -9.078 1.857 0.598 1.00 35.42 H new ATOM 0 HD1 PHE A 58 -7.602 -0.619 0.636 1.00 60.04 H new ATOM 0 HD2 PHE A 58 -11.844 -0.050 0.305 1.00 54.11 H new ATOM 0 HE1 PHE A 58 -7.792 -2.727 -0.656 1.00 41.43 H new ATOM 0 HE2 PHE A 58 -12.044 -2.188 -0.923 1.00 31.12 H new ATOM 0 HZ PHE A 58 -10.014 -3.530 -1.425 1.00 25.33 H new ATOM 945 N PHE A 59 -7.532 3.022 3.480 1.00 74.04 N ATOM 946 CA PHE A 59 -7.342 4.271 4.237 1.00 75.11 C ATOM 947 C PHE A 59 -7.415 5.530 3.373 1.00 14.23 C ATOM 948 O PHE A 59 -7.836 6.580 3.841 1.00 15.52 O ATOM 949 CB PHE A 59 -5.968 4.190 4.896 1.00 31.35 C ATOM 950 CG PHE A 59 -5.478 5.378 5.709 1.00 2.23 C ATOM 951 CD1 PHE A 59 -6.359 6.228 6.404 1.00 33.12 C ATOM 952 CD2 PHE A 59 -4.094 5.610 5.808 1.00 3.43 C ATOM 953 CE1 PHE A 59 -5.863 7.218 7.268 1.00 70.15 C ATOM 954 CE2 PHE A 59 -3.593 6.583 6.691 1.00 44.12 C ATOM 955 CZ PHE A 59 -4.485 7.350 7.458 1.00 65.13 C ATOM 0 H PHE A 59 -6.666 2.557 3.206 1.00 74.04 H new ATOM 0 HA PHE A 59 -8.152 4.358 4.961 1.00 75.11 H new ATOM 0 HB2 PHE A 59 -5.966 3.318 5.550 1.00 31.35 H new ATOM 0 HB3 PHE A 59 -5.235 4.002 4.111 1.00 31.35 H new ATOM 0 HD1 PHE A 59 -7.425 6.118 6.272 1.00 33.12 H new ATOM 0 HD2 PHE A 59 -3.410 5.036 5.200 1.00 3.43 H new ATOM 0 HE1 PHE A 59 -6.546 7.876 7.785 1.00 70.15 H new ATOM 0 HE2 PHE A 59 -2.528 6.740 6.779 1.00 44.12 H new ATOM 0 HZ PHE A 59 -4.106 8.042 8.195 1.00 65.13 H new ATOM 965 N PHE A 60 -7.076 5.366 2.102 1.00 23.43 N ATOM 966 CA PHE A 60 -6.821 6.404 1.108 1.00 51.41 C ATOM 967 C PHE A 60 -5.944 7.576 1.615 1.00 3.02 C ATOM 968 O PHE A 60 -5.472 7.628 2.758 1.00 45.54 O ATOM 969 CB PHE A 60 -8.166 6.862 0.498 1.00 3.15 C ATOM 970 CG PHE A 60 -8.914 5.837 -0.342 1.00 52.54 C ATOM 971 CD1 PHE A 60 -8.241 5.071 -1.318 1.00 12.33 C ATOM 972 CD2 PHE A 60 -10.318 5.759 -0.260 1.00 54.25 C ATOM 973 CE1 PHE A 60 -8.962 4.282 -2.223 1.00 73.35 C ATOM 974 CE2 PHE A 60 -11.042 5.003 -1.195 1.00 34.33 C ATOM 975 CZ PHE A 60 -10.362 4.276 -2.186 1.00 74.42 C ATOM 0 H PHE A 60 -6.963 4.433 1.707 1.00 23.43 H new ATOM 0 HA PHE A 60 -6.207 5.966 0.321 1.00 51.41 H new ATOM 0 HB2 PHE A 60 -8.819 7.179 1.311 1.00 3.15 H new ATOM 0 HB3 PHE A 60 -7.979 7.739 -0.121 1.00 3.15 H new ATOM 0 HD1 PHE A 60 -7.162 5.093 -1.367 1.00 12.33 H new ATOM 0 HD2 PHE A 60 -10.840 6.284 0.526 1.00 54.25 H new ATOM 0 HE1 PHE A 60 -8.438 3.678 -2.949 1.00 73.35 H new ATOM 0 HE2 PHE A 60 -12.121 4.980 -1.153 1.00 34.33 H new ATOM 0 HZ PHE A 60 -10.919 3.712 -2.920 1.00 74.42 H new ATOM 985 N TYR A 61 -5.619 8.456 0.674 1.00 52.23 N ATOM 986 CA TYR A 61 -4.885 9.710 0.771 1.00 63.42 C ATOM 987 C TYR A 61 -4.838 10.306 -0.631 1.00 71.00 C ATOM 988 O TYR A 61 -4.724 9.584 -1.630 1.00 54.52 O ATOM 989 CB TYR A 61 -3.441 9.510 1.266 1.00 31.03 C ATOM 990 CG TYR A 61 -2.643 8.439 0.541 1.00 71.34 C ATOM 991 CD1 TYR A 61 -1.904 8.755 -0.618 1.00 35.01 C ATOM 992 CD2 TYR A 61 -2.642 7.119 1.030 1.00 50.33 C ATOM 993 CE1 TYR A 61 -1.178 7.756 -1.291 1.00 31.33 C ATOM 994 CE2 TYR A 61 -1.947 6.115 0.342 1.00 4.02 C ATOM 995 CZ TYR A 61 -1.216 6.425 -0.821 1.00 34.23 C ATOM 996 OH TYR A 61 -0.576 5.431 -1.488 1.00 64.42 O ATOM 0 H TYR A 61 -5.899 8.284 -0.292 1.00 52.23 H new ATOM 0 HA TYR A 61 -5.387 10.358 1.489 1.00 63.42 H new ATOM 0 HB2 TYR A 61 -2.910 10.458 1.176 1.00 31.03 H new ATOM 0 HB3 TYR A 61 -3.470 9.261 2.327 1.00 31.03 H new ATOM 0 HD1 TYR A 61 -1.896 9.769 -0.990 1.00 35.01 H new ATOM 0 HD2 TYR A 61 -3.178 6.880 1.937 1.00 50.33 H new ATOM 0 HE1 TYR A 61 -0.594 8.006 -2.164 1.00 31.33 H new ATOM 0 HE2 TYR A 61 -1.972 5.098 0.706 1.00 4.02 H new ATOM 0 HH TYR A 61 -0.508 5.665 -2.437 1.00 64.42 H new ATOM 1006 N THR A 62 -4.889 11.623 -0.707 1.00 54.20 N ATOM 1007 CA THR A 62 -4.628 12.363 -1.923 1.00 65.35 C ATOM 1008 C THR A 62 -3.121 12.320 -2.218 1.00 10.34 C ATOM 1009 O THR A 62 -2.293 12.407 -1.305 1.00 54.42 O ATOM 1010 CB THR A 62 -5.200 13.783 -1.750 1.00 1.24 C ATOM 1011 OG1 THR A 62 -5.319 14.182 -0.384 1.00 14.34 O ATOM 1012 CG2 THR A 62 -6.621 13.806 -2.307 1.00 43.35 C ATOM 0 H THR A 62 -5.117 12.217 0.090 1.00 54.20 H new ATOM 0 HA THR A 62 -5.119 11.926 -2.792 1.00 65.35 H new ATOM 0 HB THR A 62 -4.512 14.455 -2.263 1.00 1.24 H new ATOM 0 HG1 THR A 62 -4.568 14.766 -0.147 1.00 14.34 H new ATOM 0 HG21 THR A 62 -7.041 14.805 -2.192 1.00 43.35 H new ATOM 0 HG22 THR A 62 -6.602 13.540 -3.364 1.00 43.35 H new ATOM 0 HG23 THR A 62 -7.237 13.089 -1.763 1.00 43.35 H new ATOM 1020 N SER A 63 -2.743 12.177 -3.490 1.00 11.41 N ATOM 1021 CA SER A 63 -1.349 12.197 -3.931 1.00 42.03 C ATOM 1022 C SER A 63 -0.698 13.572 -3.743 1.00 63.43 C ATOM 1023 O SER A 63 0.529 13.681 -3.772 1.00 64.12 O ATOM 1024 CB SER A 63 -1.300 11.809 -5.407 1.00 50.12 C ATOM 1025 OG SER A 63 -2.196 12.610 -6.152 1.00 74.30 O ATOM 0 H SER A 63 -3.407 12.042 -4.253 1.00 11.41 H new ATOM 0 HA SER A 63 -0.790 11.488 -3.320 1.00 42.03 H new ATOM 0 HB2 SER A 63 -0.287 11.932 -5.789 1.00 50.12 H new ATOM 0 HB3 SER A 63 -1.559 10.757 -5.523 1.00 50.12 H new ATOM 0 HG SER A 63 -1.853 12.723 -7.063 1.00 74.30 H new ATOM 1031 N LYS A 64 -1.522 14.609 -3.571 1.00 71.53 N ATOM 1032 CA LYS A 64 -1.140 15.963 -3.204 1.00 12.04 C ATOM 1033 C LYS A 64 -0.303 15.984 -1.930 1.00 13.44 C ATOM 1034 O LYS A 64 0.569 16.843 -1.800 1.00 72.51 O ATOM 1035 CB LYS A 64 -2.398 16.822 -3.157 1.00 15.31 C ATOM 1036 CG LYS A 64 -3.148 16.770 -1.834 1.00 61.33 C ATOM 1037 CD LYS A 64 -2.535 17.730 -0.802 1.00 2.21 C ATOM 1038 CE LYS A 64 -3.650 18.576 -0.239 1.00 30.00 C ATOM 1039 NZ LYS A 64 -4.608 17.758 0.544 1.00 72.24 N ATOM 0 H LYS A 64 -2.530 14.514 -3.693 1.00 71.53 H new ATOM 0 HA LYS A 64 -0.480 16.396 -3.956 1.00 12.04 H new ATOM 0 HB2 LYS A 64 -2.124 17.856 -3.365 1.00 15.31 H new ATOM 0 HB3 LYS A 64 -3.070 16.504 -3.954 1.00 15.31 H new ATOM 0 HG2 LYS A 64 -4.194 17.029 -1.997 1.00 61.33 H new ATOM 0 HG3 LYS A 64 -3.128 15.753 -1.443 1.00 61.33 H new ATOM 0 HD2 LYS A 64 -2.041 17.171 -0.007 1.00 2.21 H new ATOM 0 HD3 LYS A 64 -1.777 18.359 -1.269 1.00 2.21 H new ATOM 0 HE2 LYS A 64 -3.231 19.356 0.397 1.00 30.00 H new ATOM 0 HE3 LYS A 64 -4.176 19.076 -1.053 1.00 30.00 H new ATOM 0 HZ1 LYS A 64 -4.755 18.194 1.477 1.00 72.24 H new ATOM 0 HZ2 LYS A 64 -5.515 17.707 0.039 1.00 72.24 H new ATOM 0 HZ3 LYS A 64 -4.226 16.798 0.666 1.00 72.24 H new ATOM 1053 N GLU A 65 -0.577 15.100 -0.967 1.00 21.31 N ATOM 1054 CA GLU A 65 0.210 15.091 0.250 1.00 44.45 C ATOM 1055 C GLU A 65 1.576 14.485 -0.074 1.00 44.23 C ATOM 1056 O GLU A 65 1.649 13.530 -0.856 1.00 33.11 O ATOM 1057 CB GLU A 65 -0.478 14.293 1.363 1.00 23.53 C ATOM 1058 CG GLU A 65 -1.347 15.155 2.283 1.00 13.44 C ATOM 1059 CD GLU A 65 -2.849 14.903 2.102 1.00 22.42 C ATOM 1060 OE1 GLU A 65 -3.413 15.313 1.064 1.00 35.11 O ATOM 1061 OE2 GLU A 65 -3.483 14.359 3.034 1.00 50.12 O ATOM 0 H GLU A 65 -1.319 14.402 -1.010 1.00 21.31 H new ATOM 0 HA GLU A 65 0.321 16.112 0.615 1.00 44.45 H new ATOM 0 HB2 GLU A 65 -1.097 13.517 0.913 1.00 23.53 H new ATOM 0 HB3 GLU A 65 0.281 13.789 1.961 1.00 23.53 H new ATOM 0 HG2 GLU A 65 -1.074 14.958 3.320 1.00 13.44 H new ATOM 0 HG3 GLU A 65 -1.136 16.207 2.092 1.00 13.44 H new ATOM 1068 N PRO A 66 2.657 14.966 0.559 1.00 40.01 N ATOM 1069 CA PRO A 66 3.967 14.369 0.392 1.00 62.43 C ATOM 1070 C PRO A 66 3.934 12.946 0.943 1.00 13.22 C ATOM 1071 O PRO A 66 3.278 12.675 1.954 1.00 74.43 O ATOM 1072 CB PRO A 66 4.937 15.264 1.164 1.00 2.32 C ATOM 1073 CG PRO A 66 4.073 15.989 2.188 1.00 44.11 C ATOM 1074 CD PRO A 66 2.669 15.996 1.585 1.00 71.31 C ATOM 0 HA PRO A 66 4.276 14.300 -0.651 1.00 62.43 H new ATOM 0 HB2 PRO A 66 5.715 14.676 1.650 1.00 2.32 H new ATOM 0 HB3 PRO A 66 5.438 15.969 0.500 1.00 2.32 H new ATOM 0 HG2 PRO A 66 4.087 15.477 3.150 1.00 44.11 H new ATOM 0 HG3 PRO A 66 4.433 17.003 2.362 1.00 44.11 H new ATOM 0 HD2 PRO A 66 1.918 15.793 2.348 1.00 71.31 H new ATOM 0 HD3 PRO A 66 2.434 16.971 1.159 1.00 71.31 H new ATOM 1082 N VAL A 67 4.696 12.055 0.311 1.00 11.33 N ATOM 1083 CA VAL A 67 4.841 10.656 0.702 1.00 74.33 C ATOM 1084 C VAL A 67 5.200 10.592 2.190 1.00 4.13 C ATOM 1085 O VAL A 67 4.609 9.813 2.940 1.00 61.13 O ATOM 1086 CB VAL A 67 5.893 9.988 -0.215 1.00 62.10 C ATOM 1087 CG1 VAL A 67 6.148 8.510 0.109 1.00 61.04 C ATOM 1088 CG2 VAL A 67 5.464 10.060 -1.689 1.00 64.12 C ATOM 0 H VAL A 67 5.246 12.296 -0.513 1.00 11.33 H new ATOM 0 HA VAL A 67 3.911 10.102 0.576 1.00 74.33 H new ATOM 0 HB VAL A 67 6.810 10.549 -0.035 1.00 62.10 H new ATOM 0 HG11 VAL A 67 6.897 8.111 -0.576 1.00 61.04 H new ATOM 0 HG12 VAL A 67 6.508 8.419 1.134 1.00 61.04 H new ATOM 0 HG13 VAL A 67 5.220 7.948 -0.001 1.00 61.04 H new ATOM 0 HG21 VAL A 67 6.221 9.583 -2.312 1.00 64.12 H new ATOM 0 HG22 VAL A 67 4.512 9.545 -1.816 1.00 64.12 H new ATOM 0 HG23 VAL A 67 5.354 11.103 -1.985 1.00 64.12 H new ATOM 1098 N ALA A 68 6.100 11.470 2.650 1.00 34.01 N ATOM 1099 CA ALA A 68 6.512 11.498 4.043 1.00 64.01 C ATOM 1100 C ALA A 68 5.369 11.841 5.014 1.00 21.14 C ATOM 1101 O ALA A 68 5.405 11.389 6.165 1.00 22.22 O ATOM 1102 CB ALA A 68 7.664 12.486 4.211 1.00 60.41 C ATOM 0 H ALA A 68 6.555 12.172 2.066 1.00 34.01 H new ATOM 0 HA ALA A 68 6.835 10.489 4.301 1.00 64.01 H new ATOM 0 HB1 ALA A 68 7.975 12.509 5.256 1.00 60.41 H new ATOM 0 HB2 ALA A 68 8.504 12.175 3.589 1.00 60.41 H new ATOM 0 HB3 ALA A 68 7.337 13.481 3.908 1.00 60.41 H new ATOM 1108 N SER A 69 4.357 12.612 4.600 1.00 33.02 N ATOM 1109 CA SER A 69 3.167 12.804 5.426 1.00 62.11 C ATOM 1110 C SER A 69 2.335 11.524 5.477 1.00 5.41 C ATOM 1111 O SER A 69 1.954 11.137 6.578 1.00 12.32 O ATOM 1112 CB SER A 69 2.351 14.017 4.979 1.00 15.10 C ATOM 1113 OG SER A 69 3.035 15.169 5.430 1.00 0.21 O ATOM 0 H SER A 69 4.340 13.107 3.708 1.00 33.02 H new ATOM 0 HA SER A 69 3.493 13.021 6.443 1.00 62.11 H new ATOM 0 HB2 SER A 69 2.246 14.032 3.894 1.00 15.10 H new ATOM 0 HB3 SER A 69 1.345 13.979 5.396 1.00 15.10 H new ATOM 0 HG SER A 69 2.540 15.970 5.159 1.00 0.21 H new ATOM 1119 N ILE A 70 2.108 10.821 4.357 1.00 2.21 N ATOM 1120 CA ILE A 70 1.439 9.511 4.374 1.00 21.12 C ATOM 1121 C ILE A 70 2.136 8.564 5.357 1.00 14.34 C ATOM 1122 O ILE A 70 1.447 7.918 6.148 1.00 54.45 O ATOM 1123 CB ILE A 70 1.280 8.890 2.962 1.00 42.23 C ATOM 1124 CG1 ILE A 70 0.159 9.539 2.128 1.00 73.51 C ATOM 1125 CG2 ILE A 70 0.938 7.388 3.032 1.00 44.55 C ATOM 1126 CD1 ILE A 70 0.298 11.027 1.835 1.00 34.33 C ATOM 0 H ILE A 70 2.379 11.139 3.426 1.00 2.21 H new ATOM 0 HA ILE A 70 0.421 9.672 4.728 1.00 21.12 H new ATOM 0 HB ILE A 70 2.246 9.064 2.489 1.00 42.23 H new ATOM 0 HG12 ILE A 70 0.092 9.010 1.177 1.00 73.51 H new ATOM 0 HG13 ILE A 70 -0.786 9.381 2.647 1.00 73.51 H new ATOM 0 HG21 ILE A 70 0.835 6.991 2.022 1.00 44.55 H new ATOM 0 HG22 ILE A 70 1.736 6.857 3.551 1.00 44.55 H new ATOM 0 HG23 ILE A 70 0.001 7.253 3.572 1.00 44.55 H new ATOM 0 HD11 ILE A 70 -0.553 11.362 1.242 1.00 34.33 H new ATOM 0 HD12 ILE A 70 0.327 11.581 2.773 1.00 34.33 H new ATOM 0 HD13 ILE A 70 1.219 11.204 1.280 1.00 34.33 H new ATOM 1138 N ILE A 71 3.473 8.507 5.357 1.00 64.44 N ATOM 1139 CA ILE A 71 4.237 7.691 6.304 1.00 75.42 C ATOM 1140 C ILE A 71 3.774 8.021 7.733 1.00 71.15 C ATOM 1141 O ILE A 71 3.427 7.129 8.504 1.00 62.15 O ATOM 1142 CB ILE A 71 5.761 7.917 6.131 1.00 12.55 C ATOM 1143 CG1 ILE A 71 6.316 7.583 4.725 1.00 61.10 C ATOM 1144 CG2 ILE A 71 6.543 7.158 7.209 1.00 14.52 C ATOM 1145 CD1 ILE A 71 6.739 6.139 4.441 1.00 15.22 C ATOM 0 H ILE A 71 4.055 9.026 4.699 1.00 64.44 H new ATOM 0 HA ILE A 71 4.052 6.635 6.107 1.00 75.42 H new ATOM 0 HB ILE A 71 5.904 8.991 6.248 1.00 12.55 H new ATOM 0 HG12 ILE A 71 5.557 7.858 3.993 1.00 61.10 H new ATOM 0 HG13 ILE A 71 7.179 8.225 4.546 1.00 61.10 H new ATOM 0 HG21 ILE A 71 7.611 7.328 7.072 1.00 14.52 H new ATOM 0 HG22 ILE A 71 6.243 7.514 8.195 1.00 14.52 H new ATOM 0 HG23 ILE A 71 6.332 6.092 7.128 1.00 14.52 H new ATOM 0 HD11 ILE A 71 7.106 6.062 3.417 1.00 15.22 H new ATOM 0 HD12 ILE A 71 7.530 5.849 5.133 1.00 15.22 H new ATOM 0 HD13 ILE A 71 5.883 5.477 4.571 1.00 15.22 H new ATOM 1157 N THR A 72 3.759 9.304 8.094 1.00 33.54 N ATOM 1158 CA THR A 72 3.427 9.728 9.449 1.00 12.34 C ATOM 1159 C THR A 72 1.943 9.472 9.770 1.00 11.20 C ATOM 1160 O THR A 72 1.618 9.082 10.894 1.00 30.31 O ATOM 1161 CB THR A 72 3.836 11.198 9.650 1.00 4.21 C ATOM 1162 OG1 THR A 72 5.079 11.461 9.004 1.00 41.44 O ATOM 1163 CG2 THR A 72 4.012 11.494 11.142 1.00 13.35 C ATOM 0 H THR A 72 3.975 10.072 7.459 1.00 33.54 H new ATOM 0 HA THR A 72 3.994 9.128 10.160 1.00 12.34 H new ATOM 0 HB THR A 72 3.052 11.825 9.226 1.00 4.21 H new ATOM 0 HG1 THR A 72 4.935 11.539 8.038 1.00 41.44 H new ATOM 0 HG21 THR A 72 4.301 12.536 11.274 1.00 13.35 H new ATOM 0 HG22 THR A 72 3.073 11.309 11.663 1.00 13.35 H new ATOM 0 HG23 THR A 72 4.788 10.847 11.552 1.00 13.35 H new ATOM 1171 N LYS A 73 1.050 9.613 8.784 1.00 75.21 N ATOM 1172 CA LYS A 73 -0.365 9.262 8.873 1.00 44.40 C ATOM 1173 C LYS A 73 -0.486 7.805 9.318 1.00 72.30 C ATOM 1174 O LYS A 73 -1.125 7.496 10.323 1.00 42.15 O ATOM 1175 CB LYS A 73 -1.023 9.516 7.494 1.00 41.45 C ATOM 1176 CG LYS A 73 -2.304 10.345 7.595 1.00 34.43 C ATOM 1177 CD LYS A 73 -2.959 10.673 6.241 1.00 32.10 C ATOM 1178 CE LYS A 73 -3.302 9.484 5.335 1.00 51.25 C ATOM 1179 NZ LYS A 73 -4.683 9.540 4.792 1.00 25.00 N ATOM 0 H LYS A 73 1.306 9.989 7.871 1.00 75.21 H new ATOM 0 HA LYS A 73 -0.884 9.875 9.610 1.00 44.40 H new ATOM 0 HB2 LYS A 73 -0.313 10.030 6.846 1.00 41.45 H new ATOM 0 HB3 LYS A 73 -1.250 8.560 7.023 1.00 41.45 H new ATOM 0 HG2 LYS A 73 -3.023 9.806 8.211 1.00 34.43 H new ATOM 0 HG3 LYS A 73 -2.078 11.278 8.111 1.00 34.43 H new ATOM 0 HD2 LYS A 73 -3.876 11.230 6.433 1.00 32.10 H new ATOM 0 HD3 LYS A 73 -2.291 11.337 5.692 1.00 32.10 H new ATOM 0 HE2 LYS A 73 -2.594 9.451 4.507 1.00 51.25 H new ATOM 0 HE3 LYS A 73 -3.177 8.559 5.898 1.00 51.25 H new ATOM 0 HZ1 LYS A 73 -4.804 8.798 4.073 1.00 25.00 H new ATOM 0 HZ2 LYS A 73 -5.365 9.390 5.562 1.00 25.00 H new ATOM 0 HZ3 LYS A 73 -4.849 10.471 4.360 1.00 25.00 H new ATOM 1193 N LEU A 74 0.166 6.911 8.575 1.00 41.32 N ATOM 1194 CA LEU A 74 0.131 5.469 8.777 1.00 62.23 C ATOM 1195 C LEU A 74 0.791 5.051 10.087 1.00 1.21 C ATOM 1196 O LEU A 74 0.421 4.017 10.645 1.00 54.33 O ATOM 1197 CB LEU A 74 0.870 4.789 7.617 1.00 14.13 C ATOM 1198 CG LEU A 74 0.138 4.897 6.271 1.00 24.22 C ATOM 1199 CD1 LEU A 74 1.087 4.569 5.113 1.00 13.12 C ATOM 1200 CD2 LEU A 74 -1.051 3.939 6.235 1.00 63.32 C ATOM 0 H LEU A 74 0.754 7.185 7.788 1.00 41.32 H new ATOM 0 HA LEU A 74 -0.915 5.165 8.817 1.00 62.23 H new ATOM 0 HB2 LEU A 74 1.860 5.233 7.519 1.00 14.13 H new ATOM 0 HB3 LEU A 74 1.016 3.736 7.858 1.00 14.13 H new ATOM 0 HG LEU A 74 -0.218 5.921 6.162 1.00 24.22 H new ATOM 0 HD11 LEU A 74 0.550 4.651 4.168 1.00 13.12 H new ATOM 0 HD12 LEU A 74 1.922 5.269 5.118 1.00 13.12 H new ATOM 0 HD13 LEU A 74 1.465 3.553 5.229 1.00 13.12 H new ATOM 0 HD21 LEU A 74 -1.560 4.027 5.275 1.00 63.32 H new ATOM 0 HD22 LEU A 74 -0.698 2.916 6.366 1.00 63.32 H new ATOM 0 HD23 LEU A 74 -1.745 4.190 7.038 1.00 63.32 H new ATOM 1212 N ASN A 75 1.757 5.832 10.580 1.00 40.31 N ATOM 1213 CA ASN A 75 2.427 5.549 11.845 1.00 42.03 C ATOM 1214 C ASN A 75 1.437 5.678 12.996 1.00 12.12 C ATOM 1215 O ASN A 75 1.589 4.969 13.986 1.00 63.01 O ATOM 1216 CB ASN A 75 3.588 6.518 12.128 1.00 60.04 C ATOM 1217 CG ASN A 75 4.919 6.205 11.462 1.00 3.32 C ATOM 1218 OD1 ASN A 75 5.143 5.151 10.879 1.00 55.33 O ATOM 1219 ND2 ASN A 75 5.870 7.114 11.594 1.00 62.15 N ATOM 0 H ASN A 75 2.093 6.674 10.113 1.00 40.31 H new ATOM 0 HA ASN A 75 2.822 4.536 11.764 1.00 42.03 H new ATOM 0 HB2 ASN A 75 3.280 7.517 11.819 1.00 60.04 H new ATOM 0 HB3 ASN A 75 3.747 6.552 13.206 1.00 60.04 H new ATOM 0 HD21 ASN A 75 6.798 6.940 11.209 1.00 62.15 H new ATOM 0 HD22 ASN A 75 5.675 7.989 12.081 1.00 62.15 H new ATOM 1226 N SER A 76 0.458 6.588 12.885 1.00 31.33 N ATOM 1227 CA SER A 76 -0.537 6.793 13.926 1.00 62.43 C ATOM 1228 C SER A 76 -1.326 5.508 14.132 1.00 24.02 C ATOM 1229 O SER A 76 -1.439 5.017 15.253 1.00 50.44 O ATOM 1230 CB SER A 76 -1.434 7.973 13.601 1.00 2.23 C ATOM 1231 OG SER A 76 -2.139 8.376 14.764 1.00 14.44 O ATOM 0 H SER A 76 0.341 7.195 12.073 1.00 31.33 H new ATOM 0 HA SER A 76 -0.036 7.038 14.862 1.00 62.43 H new ATOM 0 HB2 SER A 76 -0.837 8.802 13.221 1.00 2.23 H new ATOM 0 HB3 SER A 76 -2.138 7.701 12.814 1.00 2.23 H new ATOM 0 HG SER A 76 -2.715 9.139 14.549 1.00 14.44 H new ATOM 1237 N LEU A 77 -1.832 4.958 13.029 1.00 62.31 N ATOM 1238 CA LEU A 77 -2.716 3.806 13.019 1.00 42.02 C ATOM 1239 C LEU A 77 -2.063 2.601 13.703 1.00 45.43 C ATOM 1240 O LEU A 77 -2.772 1.819 14.338 1.00 12.42 O ATOM 1241 CB LEU A 77 -3.091 3.488 11.563 1.00 21.52 C ATOM 1242 CG LEU A 77 -3.816 4.609 10.794 1.00 14.31 C ATOM 1243 CD1 LEU A 77 -4.126 4.126 9.380 1.00 44.52 C ATOM 1244 CD2 LEU A 77 -5.119 5.055 11.454 1.00 22.43 C ATOM 0 H LEU A 77 -1.629 5.315 12.095 1.00 62.31 H new ATOM 0 HA LEU A 77 -3.620 4.035 13.583 1.00 42.02 H new ATOM 0 HB2 LEU A 77 -2.180 3.233 11.021 1.00 21.52 H new ATOM 0 HB3 LEU A 77 -3.725 2.601 11.557 1.00 21.52 H new ATOM 0 HG LEU A 77 -3.146 5.469 10.789 1.00 14.31 H new ATOM 0 HD11 LEU A 77 -4.639 4.915 8.830 1.00 44.52 H new ATOM 0 HD12 LEU A 77 -3.196 3.874 8.870 1.00 44.52 H new ATOM 0 HD13 LEU A 77 -4.764 3.244 9.429 1.00 44.52 H new ATOM 0 HD21 LEU A 77 -5.576 5.846 10.859 1.00 22.43 H new ATOM 0 HD22 LEU A 77 -5.803 4.208 11.518 1.00 22.43 H new ATOM 0 HD23 LEU A 77 -4.910 5.429 12.456 1.00 22.43 H new ATOM 1256 N ASN A 78 -0.733 2.465 13.594 1.00 75.25 N ATOM 1257 CA ASN A 78 0.140 1.403 14.122 1.00 73.15 C ATOM 1258 C ASN A 78 -0.186 -0.013 13.632 1.00 72.51 C ATOM 1259 O ASN A 78 0.639 -0.911 13.816 1.00 52.41 O ATOM 1260 CB ASN A 78 0.229 1.434 15.663 1.00 30.43 C ATOM 1261 CG ASN A 78 1.311 2.367 16.193 1.00 71.24 C ATOM 1262 OD1 ASN A 78 2.449 2.349 15.732 1.00 64.23 O ATOM 1263 ND2 ASN A 78 1.002 3.176 17.192 1.00 71.41 N ATOM 0 H ASN A 78 -0.189 3.162 13.086 1.00 75.25 H new ATOM 0 HA ASN A 78 1.118 1.641 13.703 1.00 73.15 H new ATOM 0 HB2 ASN A 78 -0.735 1.742 16.068 1.00 30.43 H new ATOM 0 HB3 ASN A 78 0.420 0.425 16.028 1.00 30.43 H new ATOM 0 HD21 ASN A 78 1.712 3.793 17.587 1.00 71.41 H new ATOM 0 HD22 ASN A 78 0.054 3.183 17.568 1.00 71.41 H new ATOM 1270 N GLU A 79 -1.336 -0.231 12.990 1.00 71.30 N ATOM 1271 CA GLU A 79 -1.754 -1.529 12.475 1.00 71.11 C ATOM 1272 C GLU A 79 -0.725 -2.018 11.445 1.00 5.52 C ATOM 1273 O GLU A 79 -0.111 -1.185 10.762 1.00 31.01 O ATOM 1274 CB GLU A 79 -3.123 -1.469 11.759 1.00 3.44 C ATOM 1275 CG GLU A 79 -4.167 -0.454 12.226 1.00 51.42 C ATOM 1276 CD GLU A 79 -4.823 -0.755 13.571 1.00 52.41 C ATOM 1277 OE1 GLU A 79 -4.262 -1.485 14.412 1.00 31.40 O ATOM 1278 OE2 GLU A 79 -5.936 -0.201 13.779 1.00 62.21 O ATOM 0 H GLU A 79 -2.015 0.509 12.812 1.00 71.30 H new ATOM 0 HA GLU A 79 -1.832 -2.199 13.331 1.00 71.11 H new ATOM 0 HB2 GLU A 79 -2.932 -1.281 10.702 1.00 3.44 H new ATOM 0 HB3 GLU A 79 -3.574 -2.459 11.830 1.00 3.44 H new ATOM 0 HG2 GLU A 79 -3.694 0.526 12.284 1.00 51.42 H new ATOM 0 HG3 GLU A 79 -4.947 -0.387 11.468 1.00 51.42 H new ATOM 1285 N PRO A 80 -0.597 -3.334 11.237 1.00 24.20 N ATOM 1286 CA PRO A 80 0.182 -3.859 10.137 1.00 74.50 C ATOM 1287 C PRO A 80 -0.466 -3.467 8.809 1.00 55.14 C ATOM 1288 O PRO A 80 -1.690 -3.531 8.641 1.00 21.43 O ATOM 1289 CB PRO A 80 0.279 -5.370 10.358 1.00 20.24 C ATOM 1290 CG PRO A 80 -0.805 -5.709 11.381 1.00 62.02 C ATOM 1291 CD PRO A 80 -1.272 -4.384 11.973 1.00 44.23 C ATOM 0 HA PRO A 80 1.190 -3.446 10.096 1.00 74.50 H new ATOM 0 HB2 PRO A 80 0.121 -5.913 9.426 1.00 20.24 H new ATOM 0 HB3 PRO A 80 1.266 -5.649 10.726 1.00 20.24 H new ATOM 0 HG2 PRO A 80 -1.634 -6.236 10.908 1.00 62.02 H new ATOM 0 HG3 PRO A 80 -0.413 -6.365 12.159 1.00 62.02 H new ATOM 0 HD2 PRO A 80 -2.354 -4.282 11.887 1.00 44.23 H new ATOM 0 HD3 PRO A 80 -1.030 -4.329 13.034 1.00 44.23 H new ATOM 1299 N LEU A 81 0.373 -3.043 7.868 1.00 64.23 N ATOM 1300 CA LEU A 81 -0.010 -2.590 6.546 1.00 32.23 C ATOM 1301 C LEU A 81 0.326 -3.671 5.539 1.00 41.34 C ATOM 1302 O LEU A 81 1.181 -4.538 5.768 1.00 73.43 O ATOM 1303 CB LEU A 81 0.772 -1.322 6.147 1.00 51.53 C ATOM 1304 CG LEU A 81 0.858 -0.205 7.199 1.00 61.15 C ATOM 1305 CD1 LEU A 81 1.799 0.892 6.697 1.00 73.43 C ATOM 1306 CD2 LEU A 81 -0.523 0.391 7.445 1.00 74.11 C ATOM 0 H LEU A 81 1.381 -3.007 8.019 1.00 64.23 H new ATOM 0 HA LEU A 81 -1.078 -2.371 6.558 1.00 32.23 H new ATOM 0 HB2 LEU A 81 1.787 -1.618 5.881 1.00 51.53 H new ATOM 0 HB3 LEU A 81 0.314 -0.909 5.248 1.00 51.53 H new ATOM 0 HG LEU A 81 1.238 -0.623 8.131 1.00 61.15 H new ATOM 0 HD11 LEU A 81 1.862 1.686 7.441 1.00 73.43 H new ATOM 0 HD12 LEU A 81 2.791 0.472 6.529 1.00 73.43 H new ATOM 0 HD13 LEU A 81 1.415 1.301 5.762 1.00 73.43 H new ATOM 0 HD21 LEU A 81 -0.450 1.181 8.192 1.00 74.11 H new ATOM 0 HD22 LEU A 81 -0.911 0.806 6.515 1.00 74.11 H new ATOM 0 HD23 LEU A 81 -1.196 -0.387 7.804 1.00 74.11 H new ATOM 1318 N VAL A 82 -0.262 -3.520 4.363 1.00 51.34 N ATOM 1319 CA VAL A 82 0.202 -4.119 3.135 1.00 34.04 C ATOM 1320 C VAL A 82 -0.036 -3.044 2.071 1.00 2.44 C ATOM 1321 O VAL A 82 -1.141 -2.508 1.993 1.00 53.44 O ATOM 1322 CB VAL A 82 -0.588 -5.401 2.835 1.00 54.14 C ATOM 1323 CG1 VAL A 82 -0.028 -6.127 1.614 1.00 24.25 C ATOM 1324 CG2 VAL A 82 -0.827 -6.366 3.999 1.00 33.22 C ATOM 0 H VAL A 82 -1.103 -2.957 4.240 1.00 51.34 H new ATOM 0 HA VAL A 82 1.250 -4.417 3.176 1.00 34.04 H new ATOM 0 HB VAL A 82 -1.589 -5.027 2.619 1.00 54.14 H new ATOM 0 HG11 VAL A 82 -0.610 -7.030 1.429 1.00 24.25 H new ATOM 0 HG12 VAL A 82 -0.086 -5.473 0.744 1.00 24.25 H new ATOM 0 HG13 VAL A 82 1.012 -6.397 1.796 1.00 24.25 H new ATOM 0 HG21 VAL A 82 -1.396 -7.227 3.647 1.00 33.22 H new ATOM 0 HG22 VAL A 82 0.131 -6.702 4.396 1.00 33.22 H new ATOM 0 HG23 VAL A 82 -1.387 -5.858 4.784 1.00 33.22 H new ATOM 1334 N THR A 83 0.974 -2.675 1.284 1.00 53.31 N ATOM 1335 CA THR A 83 0.804 -1.720 0.192 1.00 10.14 C ATOM 1336 C THR A 83 1.966 -1.875 -0.788 1.00 70.22 C ATOM 1337 O THR A 83 2.977 -2.490 -0.471 1.00 43.04 O ATOM 1338 CB THR A 83 0.680 -0.294 0.769 1.00 53.23 C ATOM 1339 OG1 THR A 83 0.275 0.631 -0.224 1.00 74.04 O ATOM 1340 CG2 THR A 83 1.953 0.218 1.448 1.00 14.32 C ATOM 0 H THR A 83 1.926 -3.027 1.385 1.00 53.31 H new ATOM 0 HA THR A 83 -0.115 -1.915 -0.362 1.00 10.14 H new ATOM 0 HB THR A 83 -0.085 -0.372 1.541 1.00 53.23 H new ATOM 0 HG1 THR A 83 -0.627 0.956 -0.020 1.00 74.04 H new ATOM 0 HG21 THR A 83 1.783 1.226 1.826 1.00 14.32 H new ATOM 0 HG22 THR A 83 2.214 -0.441 2.276 1.00 14.32 H new ATOM 0 HG23 THR A 83 2.769 0.234 0.726 1.00 14.32 H new ATOM 1348 N MET A 84 1.845 -1.325 -1.989 1.00 40.33 N ATOM 1349 CA MET A 84 2.940 -1.240 -2.952 1.00 52.51 C ATOM 1350 C MET A 84 3.853 -0.066 -2.540 1.00 11.43 C ATOM 1351 O MET A 84 3.453 0.739 -1.694 1.00 21.24 O ATOM 1352 CB MET A 84 2.386 -1.073 -4.377 1.00 30.43 C ATOM 1353 CG MET A 84 1.076 -1.808 -4.638 1.00 34.40 C ATOM 1354 SD MET A 84 -0.366 -0.781 -4.206 1.00 71.21 S ATOM 1355 CE MET A 84 -1.615 -2.016 -3.792 1.00 61.13 C ATOM 0 H MET A 84 0.973 -0.919 -2.328 1.00 40.33 H new ATOM 0 HA MET A 84 3.527 -2.159 -2.952 1.00 52.51 H new ATOM 0 HB2 MET A 84 2.237 -0.011 -4.573 1.00 30.43 H new ATOM 0 HB3 MET A 84 3.134 -1.426 -5.087 1.00 30.43 H new ATOM 0 HG2 MET A 84 1.020 -2.091 -5.689 1.00 34.40 H new ATOM 0 HG3 MET A 84 1.054 -2.730 -4.058 1.00 34.40 H new ATOM 0 HE1 MET A 84 -2.542 -1.516 -3.511 1.00 61.13 H new ATOM 0 HE2 MET A 84 -1.795 -2.655 -4.656 1.00 61.13 H new ATOM 0 HE3 MET A 84 -1.264 -2.624 -2.958 1.00 61.13 H new ATOM 1365 N PRO A 85 5.072 0.083 -3.080 1.00 61.14 N ATOM 1366 CA PRO A 85 5.890 1.266 -2.813 1.00 74.41 C ATOM 1367 C PRO A 85 5.133 2.526 -3.277 1.00 12.42 C ATOM 1368 O PRO A 85 4.832 2.657 -4.463 1.00 42.54 O ATOM 1369 CB PRO A 85 7.213 1.012 -3.538 1.00 24.15 C ATOM 1370 CG PRO A 85 6.894 -0.007 -4.628 1.00 73.45 C ATOM 1371 CD PRO A 85 5.617 -0.709 -4.171 1.00 25.13 C ATOM 0 HA PRO A 85 6.095 1.440 -1.757 1.00 74.41 H new ATOM 0 HB2 PRO A 85 7.609 1.933 -3.966 1.00 24.15 H new ATOM 0 HB3 PRO A 85 7.969 0.629 -2.852 1.00 24.15 H new ATOM 0 HG2 PRO A 85 6.750 0.482 -5.592 1.00 73.45 H new ATOM 0 HG3 PRO A 85 7.710 -0.719 -4.751 1.00 73.45 H new ATOM 0 HD2 PRO A 85 4.902 -0.783 -4.990 1.00 25.13 H new ATOM 0 HD3 PRO A 85 5.831 -1.726 -3.842 1.00 25.13 H new ATOM 1379 N ILE A 86 4.717 3.385 -2.336 1.00 73.25 N ATOM 1380 CA ILE A 86 3.803 4.512 -2.563 1.00 52.11 C ATOM 1381 C ILE A 86 4.475 5.535 -3.479 1.00 45.20 C ATOM 1382 O ILE A 86 4.036 5.776 -4.605 1.00 4.31 O ATOM 1383 CB ILE A 86 3.332 5.105 -1.201 1.00 74.54 C ATOM 1384 CG1 ILE A 86 2.423 4.060 -0.508 1.00 31.14 C ATOM 1385 CG2 ILE A 86 2.607 6.452 -1.387 1.00 73.02 C ATOM 1386 CD1 ILE A 86 1.775 4.453 0.824 1.00 44.13 C ATOM 0 H ILE A 86 5.018 3.312 -1.364 1.00 73.25 H new ATOM 0 HA ILE A 86 2.900 4.176 -3.073 1.00 52.11 H new ATOM 0 HB ILE A 86 4.198 5.313 -0.573 1.00 74.54 H new ATOM 0 HG12 ILE A 86 1.627 3.794 -1.203 1.00 31.14 H new ATOM 0 HG13 ILE A 86 3.014 3.159 -0.341 1.00 31.14 H new ATOM 0 HG21 ILE A 86 2.294 6.834 -0.415 1.00 73.02 H new ATOM 0 HG22 ILE A 86 3.282 7.167 -1.857 1.00 73.02 H new ATOM 0 HG23 ILE A 86 1.731 6.309 -2.020 1.00 73.02 H new ATOM 0 HD11 ILE A 86 1.168 3.626 1.191 1.00 44.13 H new ATOM 0 HD12 ILE A 86 2.552 4.684 1.552 1.00 44.13 H new ATOM 0 HD13 ILE A 86 1.143 5.329 0.677 1.00 44.13 H new ATOM 1398 N GLY A 87 5.557 6.143 -2.999 1.00 13.41 N ATOM 1399 CA GLY A 87 6.364 7.036 -3.796 1.00 54.13 C ATOM 1400 C GLY A 87 7.118 6.180 -4.800 1.00 2.24 C ATOM 1401 O GLY A 87 8.114 5.567 -4.426 1.00 11.54 O ATOM 0 H GLY A 87 5.892 6.024 -2.043 1.00 13.41 H new ATOM 0 HA2 GLY A 87 5.739 7.768 -4.307 1.00 54.13 H new ATOM 0 HA3 GLY A 87 7.058 7.593 -3.167 1.00 54.13 H new ATOM 1405 N TYR A 88 6.624 6.096 -6.032 1.00 53.00 N ATOM 1406 CA TYR A 88 7.322 5.539 -7.194 1.00 53.51 C ATOM 1407 C TYR A 88 6.814 6.221 -8.465 1.00 44.21 C ATOM 1408 O TYR A 88 7.580 6.614 -9.340 1.00 12.05 O ATOM 1409 CB TYR A 88 7.142 4.014 -7.265 1.00 2.20 C ATOM 1410 CG TYR A 88 8.033 3.334 -8.296 1.00 3.53 C ATOM 1411 CD1 TYR A 88 7.698 3.379 -9.663 1.00 43.14 C ATOM 1412 CD2 TYR A 88 9.218 2.680 -7.899 1.00 73.21 C ATOM 1413 CE1 TYR A 88 8.523 2.778 -10.627 1.00 30.12 C ATOM 1414 CE2 TYR A 88 10.031 2.048 -8.855 1.00 61.51 C ATOM 1415 CZ TYR A 88 9.690 2.101 -10.222 1.00 41.44 C ATOM 1416 OH TYR A 88 10.501 1.518 -11.140 1.00 63.43 O ATOM 0 H TYR A 88 5.687 6.427 -6.261 1.00 53.00 H new ATOM 0 HA TYR A 88 8.391 5.731 -7.097 1.00 53.51 H new ATOM 0 HB2 TYR A 88 7.349 3.588 -6.283 1.00 2.20 H new ATOM 0 HB3 TYR A 88 6.100 3.791 -7.496 1.00 2.20 H new ATOM 0 HD1 TYR A 88 6.795 3.882 -9.974 1.00 43.14 H new ATOM 0 HD2 TYR A 88 9.501 2.665 -6.857 1.00 73.21 H new ATOM 0 HE1 TYR A 88 8.264 2.834 -11.674 1.00 30.12 H new ATOM 0 HE2 TYR A 88 10.920 1.520 -8.542 1.00 61.51 H new ATOM 0 HH TYR A 88 11.260 1.097 -10.685 1.00 63.43 H new ATOM 1426 N VAL A 89 5.507 6.438 -8.529 1.00 21.42 N ATOM 1427 CA VAL A 89 4.790 6.930 -9.699 1.00 44.11 C ATOM 1428 C VAL A 89 4.358 8.379 -9.487 1.00 22.41 C ATOM 1429 O VAL A 89 4.894 9.250 -10.168 1.00 34.45 O ATOM 1430 CB VAL A 89 3.685 5.975 -10.179 1.00 34.21 C ATOM 1431 CG1 VAL A 89 4.266 4.763 -10.923 1.00 1.42 C ATOM 1432 CG2 VAL A 89 2.826 5.471 -9.029 1.00 71.24 C ATOM 0 H VAL A 89 4.891 6.269 -7.734 1.00 21.42 H new ATOM 0 HA VAL A 89 5.476 6.943 -10.546 1.00 44.11 H new ATOM 0 HB VAL A 89 3.064 6.557 -10.860 1.00 34.21 H new ATOM 0 HG11 VAL A 89 3.454 4.111 -11.247 1.00 1.42 H new ATOM 0 HG12 VAL A 89 4.826 5.105 -11.793 1.00 1.42 H new ATOM 0 HG13 VAL A 89 4.930 4.212 -10.258 1.00 1.42 H new ATOM 0 HG21 VAL A 89 2.059 4.800 -9.415 1.00 71.24 H new ATOM 0 HG22 VAL A 89 3.452 4.935 -8.315 1.00 71.24 H new ATOM 0 HG23 VAL A 89 2.351 6.317 -8.532 1.00 71.24 H new ATOM 1442 N THR A 90 3.510 8.642 -8.486 1.00 22.42 N ATOM 1443 CA THR A 90 3.016 9.960 -8.090 1.00 10.01 C ATOM 1444 C THR A 90 4.155 10.985 -8.032 1.00 12.05 C ATOM 1445 O THR A 90 4.073 12.043 -8.657 1.00 63.23 O ATOM 1446 CB THR A 90 2.215 9.844 -6.765 1.00 20.04 C ATOM 1447 OG1 THR A 90 1.981 11.119 -6.205 1.00 64.14 O ATOM 1448 CG2 THR A 90 2.854 8.955 -5.683 1.00 12.14 C ATOM 0 H THR A 90 3.131 7.898 -7.900 1.00 22.42 H new ATOM 0 HA THR A 90 2.327 10.335 -8.847 1.00 10.01 H new ATOM 0 HB THR A 90 1.286 9.358 -7.064 1.00 20.04 H new ATOM 0 HG1 THR A 90 1.618 11.017 -5.300 1.00 64.14 H new ATOM 0 HG21 THR A 90 2.216 8.942 -4.799 1.00 12.14 H new ATOM 0 HG22 THR A 90 2.966 7.940 -6.065 1.00 12.14 H new ATOM 0 HG23 THR A 90 3.833 9.353 -5.417 1.00 12.14 H new ATOM 1456 N HIS A 91 5.220 10.662 -7.293 1.00 62.22 N ATOM 1457 CA HIS A 91 6.357 11.548 -7.102 1.00 43.43 C ATOM 1458 C HIS A 91 7.446 11.325 -8.159 1.00 73.43 C ATOM 1459 O HIS A 91 8.358 12.142 -8.283 1.00 13.24 O ATOM 1460 CB HIS A 91 6.927 11.334 -5.690 1.00 61.34 C ATOM 1461 CG HIS A 91 7.396 12.617 -5.058 1.00 1.31 C ATOM 1462 ND1 HIS A 91 8.167 13.584 -5.662 1.00 13.41 N ATOM 1463 CD2 HIS A 91 7.156 13.020 -3.773 1.00 52.30 C ATOM 1464 CE1 HIS A 91 8.399 14.545 -4.753 1.00 44.00 C ATOM 1465 NE2 HIS A 91 7.814 14.237 -3.581 1.00 53.33 N ATOM 0 H HIS A 91 5.312 9.769 -6.809 1.00 62.22 H new ATOM 0 HA HIS A 91 6.013 12.576 -7.215 1.00 43.43 H new ATOM 0 HB2 HIS A 91 6.164 10.879 -5.058 1.00 61.34 H new ATOM 0 HB3 HIS A 91 7.759 10.632 -5.740 1.00 61.34 H new ATOM 0 HD1 HIS A 91 8.502 13.573 -6.625 1.00 13.41 H new ATOM 0 HD2 HIS A 91 6.565 12.492 -3.039 1.00 52.30 H new ATOM 0 HE1 HIS A 91 8.975 15.440 -4.937 1.00 44.00 H new ATOM 1473 N GLY A 92 7.368 10.231 -8.923 1.00 41.21 N ATOM 1474 CA GLY A 92 8.461 9.732 -9.737 1.00 71.53 C ATOM 1475 C GLY A 92 9.656 9.375 -8.866 1.00 1.35 C ATOM 1476 O GLY A 92 10.652 10.095 -8.913 1.00 1.25 O ATOM 0 H GLY A 92 6.524 9.662 -8.988 1.00 41.21 H new ATOM 0 HA2 GLY A 92 8.135 8.854 -10.295 1.00 71.53 H new ATOM 0 HA3 GLY A 92 8.750 10.486 -10.469 1.00 71.53 H new ATOM 1480 N PHE A 93 9.567 8.306 -8.065 1.00 5.02 N ATOM 1481 CA PHE A 93 10.754 7.780 -7.374 1.00 74.33 C ATOM 1482 C PHE A 93 11.196 6.494 -8.072 1.00 73.33 C ATOM 1483 O PHE A 93 10.347 5.710 -8.489 1.00 21.21 O ATOM 1484 CB PHE A 93 10.467 7.504 -5.893 1.00 45.43 C ATOM 1485 CG PHE A 93 10.192 8.710 -5.016 1.00 71.45 C ATOM 1486 CD1 PHE A 93 10.573 9.999 -5.420 1.00 21.40 C ATOM 1487 CD2 PHE A 93 9.569 8.545 -3.766 1.00 51.34 C ATOM 1488 CE1 PHE A 93 10.316 11.103 -4.610 1.00 23.12 C ATOM 1489 CE2 PHE A 93 9.299 9.660 -2.953 1.00 74.41 C ATOM 1490 CZ PHE A 93 9.682 10.945 -3.368 1.00 2.33 C ATOM 0 H PHE A 93 8.704 7.795 -7.880 1.00 5.02 H new ATOM 0 HA PHE A 93 11.547 8.526 -7.418 1.00 74.33 H new ATOM 0 HB2 PHE A 93 9.608 6.836 -5.832 1.00 45.43 H new ATOM 0 HB3 PHE A 93 11.319 6.967 -5.476 1.00 45.43 H new ATOM 0 HD1 PHE A 93 11.071 10.136 -6.369 1.00 21.40 H new ATOM 0 HD2 PHE A 93 9.296 7.556 -3.429 1.00 51.34 H new ATOM 0 HE1 PHE A 93 10.607 12.089 -4.941 1.00 23.12 H new ATOM 0 HE2 PHE A 93 8.796 9.527 -2.007 1.00 74.41 H new ATOM 0 HZ PHE A 93 9.491 11.802 -2.739 1.00 2.33 H new ATOM 1500 N ASN A 94 12.500 6.242 -8.173 1.00 2.23 N ATOM 1501 CA ASN A 94 13.008 4.922 -8.550 1.00 62.11 C ATOM 1502 C ASN A 94 12.908 3.967 -7.367 1.00 61.35 C ATOM 1503 O ASN A 94 12.661 4.387 -6.241 1.00 23.52 O ATOM 1504 CB ASN A 94 14.474 5.003 -9.011 1.00 74.04 C ATOM 1505 CG ASN A 94 14.644 5.632 -10.385 1.00 1.55 C ATOM 1506 OD1 ASN A 94 15.510 6.471 -10.591 1.00 0.03 O ATOM 1507 ND2 ASN A 94 13.878 5.199 -11.375 1.00 51.53 N ATOM 0 H ASN A 94 13.227 6.936 -7.999 1.00 2.23 H new ATOM 0 HA ASN A 94 12.400 4.553 -9.376 1.00 62.11 H new ATOM 0 HB2 ASN A 94 15.044 5.580 -8.283 1.00 74.04 H new ATOM 0 HB3 ASN A 94 14.898 3.999 -9.025 1.00 74.04 H new ATOM 0 HD21 ASN A 94 14.008 5.565 -12.318 1.00 51.53 H new ATOM 0 HD22 ASN A 94 13.158 4.499 -11.194 1.00 51.53 H new ATOM 1514 N LEU A 95 13.160 2.678 -7.610 1.00 15.24 N ATOM 1515 CA LEU A 95 12.978 1.596 -6.641 1.00 51.34 C ATOM 1516 C LEU A 95 13.724 1.856 -5.324 1.00 24.51 C ATOM 1517 O LEU A 95 13.188 1.655 -4.237 1.00 25.42 O ATOM 1518 CB LEU A 95 13.420 0.256 -7.277 1.00 51.21 C ATOM 1519 CG LEU A 95 12.529 -0.955 -6.932 1.00 60.24 C ATOM 1520 CD1 LEU A 95 13.219 -2.268 -7.333 1.00 74.41 C ATOM 1521 CD2 LEU A 95 12.137 -1.060 -5.460 1.00 40.24 C ATOM 0 H LEU A 95 13.506 2.350 -8.512 1.00 15.24 H new ATOM 0 HA LEU A 95 11.919 1.546 -6.386 1.00 51.34 H new ATOM 0 HB2 LEU A 95 13.442 0.375 -8.360 1.00 51.21 H new ATOM 0 HB3 LEU A 95 14.440 0.040 -6.960 1.00 51.21 H new ATOM 0 HG LEU A 95 11.614 -0.791 -7.502 1.00 60.24 H new ATOM 0 HD11 LEU A 95 12.574 -3.110 -7.081 1.00 74.41 H new ATOM 0 HD12 LEU A 95 13.410 -2.266 -8.406 1.00 74.41 H new ATOM 0 HD13 LEU A 95 14.163 -2.361 -6.797 1.00 74.41 H new ATOM 0 HD21 LEU A 95 11.512 -1.940 -5.312 1.00 40.24 H new ATOM 0 HD22 LEU A 95 13.036 -1.146 -4.849 1.00 40.24 H new ATOM 0 HD23 LEU A 95 11.583 -0.168 -5.166 1.00 40.24 H new ATOM 1533 N GLU A 96 14.961 2.330 -5.425 1.00 31.24 N ATOM 1534 CA GLU A 96 15.830 2.657 -4.302 1.00 55.13 C ATOM 1535 C GLU A 96 15.249 3.807 -3.478 1.00 22.15 C ATOM 1536 O GLU A 96 15.063 3.676 -2.270 1.00 0.31 O ATOM 1537 CB GLU A 96 17.178 3.004 -4.921 1.00 61.43 C ATOM 1538 CG GLU A 96 18.312 3.289 -3.938 1.00 13.34 C ATOM 1539 CD GLU A 96 19.636 3.346 -4.706 1.00 30.21 C ATOM 1540 OE1 GLU A 96 19.666 3.868 -5.840 1.00 61.45 O ATOM 1541 OE2 GLU A 96 20.673 2.863 -4.189 1.00 50.13 O ATOM 0 H GLU A 96 15.403 2.504 -6.328 1.00 31.24 H new ATOM 0 HA GLU A 96 15.930 1.828 -3.601 1.00 55.13 H new ATOM 0 HB2 GLU A 96 17.482 2.180 -5.567 1.00 61.43 H new ATOM 0 HB3 GLU A 96 17.048 3.878 -5.559 1.00 61.43 H new ATOM 0 HG2 GLU A 96 18.135 4.233 -3.423 1.00 13.34 H new ATOM 0 HG3 GLU A 96 18.353 2.512 -3.175 1.00 13.34 H new ATOM 1548 N GLU A 97 14.933 4.922 -4.136 1.00 2.24 N ATOM 1549 CA GLU A 97 14.349 6.121 -3.539 1.00 34.03 C ATOM 1550 C GLU A 97 13.024 5.752 -2.856 1.00 43.25 C ATOM 1551 O GLU A 97 12.751 6.152 -1.723 1.00 42.54 O ATOM 1552 CB GLU A 97 14.114 7.157 -4.654 1.00 72.01 C ATOM 1553 CG GLU A 97 15.396 7.671 -5.335 1.00 15.10 C ATOM 1554 CD GLU A 97 15.177 8.180 -6.773 1.00 34.24 C ATOM 1555 OE1 GLU A 97 14.020 8.401 -7.198 1.00 53.45 O ATOM 1556 OE2 GLU A 97 16.191 8.292 -7.498 1.00 24.34 O ATOM 0 H GLU A 97 15.083 5.018 -5.140 1.00 2.24 H new ATOM 0 HA GLU A 97 15.019 6.543 -2.790 1.00 34.03 H new ATOM 0 HB2 GLU A 97 13.468 6.714 -5.412 1.00 72.01 H new ATOM 0 HB3 GLU A 97 13.576 8.007 -4.234 1.00 72.01 H new ATOM 0 HG2 GLU A 97 15.817 8.478 -4.734 1.00 15.10 H new ATOM 0 HG3 GLU A 97 16.134 6.869 -5.352 1.00 15.10 H new ATOM 1563 N ALA A 98 12.219 4.938 -3.540 1.00 1.25 N ATOM 1564 CA ALA A 98 10.949 4.425 -3.081 1.00 10.23 C ATOM 1565 C ALA A 98 11.121 3.647 -1.779 1.00 55.24 C ATOM 1566 O ALA A 98 10.403 3.931 -0.818 1.00 24.34 O ATOM 1567 CB ALA A 98 10.325 3.553 -4.174 1.00 51.33 C ATOM 0 H ALA A 98 12.457 4.608 -4.475 1.00 1.25 H new ATOM 0 HA ALA A 98 10.277 5.258 -2.875 1.00 10.23 H new ATOM 0 HB1 ALA A 98 9.367 3.166 -3.828 1.00 51.33 H new ATOM 0 HB2 ALA A 98 10.172 4.150 -5.073 1.00 51.33 H new ATOM 0 HB3 ALA A 98 10.992 2.721 -4.401 1.00 51.33 H new ATOM 1573 N ALA A 99 12.046 2.683 -1.745 1.00 75.42 N ATOM 1574 CA ALA A 99 12.323 1.869 -0.571 1.00 63.44 C ATOM 1575 C ALA A 99 12.810 2.716 0.599 1.00 54.44 C ATOM 1576 O ALA A 99 12.372 2.509 1.728 1.00 24.14 O ATOM 1577 CB ALA A 99 13.371 0.803 -0.908 1.00 5.40 C ATOM 0 H ALA A 99 12.629 2.447 -2.548 1.00 75.42 H new ATOM 0 HA ALA A 99 11.391 1.388 -0.274 1.00 63.44 H new ATOM 0 HB1 ALA A 99 13.572 0.198 -0.024 1.00 5.40 H new ATOM 0 HB2 ALA A 99 12.996 0.164 -1.707 1.00 5.40 H new ATOM 0 HB3 ALA A 99 14.291 1.288 -1.233 1.00 5.40 H new ATOM 1583 N ARG A 100 13.712 3.665 0.339 1.00 60.25 N ATOM 1584 CA ARG A 100 14.229 4.606 1.327 1.00 3.33 C ATOM 1585 C ARG A 100 13.082 5.346 1.997 1.00 64.40 C ATOM 1586 O ARG A 100 12.964 5.344 3.220 1.00 52.13 O ATOM 1587 CB ARG A 100 15.167 5.585 0.609 1.00 42.45 C ATOM 1588 CG ARG A 100 16.633 5.211 0.762 1.00 64.23 C ATOM 1589 CD ARG A 100 17.005 3.752 0.445 1.00 35.23 C ATOM 1590 NE ARG A 100 18.373 3.629 -0.081 1.00 53.55 N ATOM 1591 CZ ARG A 100 19.516 3.540 0.609 1.00 63.55 C ATOM 1592 NH1 ARG A 100 19.537 3.522 1.937 1.00 31.35 N ATOM 1593 NH2 ARG A 100 20.660 3.481 -0.054 1.00 51.43 N ATOM 0 H ARG A 100 14.111 3.801 -0.590 1.00 60.25 H new ATOM 0 HA ARG A 100 14.778 4.076 2.105 1.00 3.33 H new ATOM 0 HB2 ARG A 100 14.912 5.615 -0.450 1.00 42.45 H new ATOM 0 HB3 ARG A 100 15.009 6.589 1.003 1.00 42.45 H new ATOM 0 HG2 ARG A 100 17.221 5.862 0.114 1.00 64.23 H new ATOM 0 HG3 ARG A 100 16.935 5.425 1.787 1.00 64.23 H new ATOM 0 HD2 ARG A 100 16.910 3.150 1.349 1.00 35.23 H new ATOM 0 HD3 ARG A 100 16.300 3.349 -0.282 1.00 35.23 H new ATOM 0 HE ARG A 100 18.461 3.609 -1.097 1.00 53.55 H new ATOM 0 HH11 ARG A 100 18.664 3.577 2.462 1.00 31.35 H new ATOM 0 HH12 ARG A 100 20.426 3.453 2.432 1.00 31.35 H new ATOM 0 HH21 ARG A 100 20.660 3.504 -1.074 1.00 51.43 H new ATOM 0 HH22 ARG A 100 21.541 3.413 0.455 1.00 51.43 H new ATOM 1607 N CYS A 101 12.221 5.936 1.180 1.00 2.14 N ATOM 1608 CA CYS A 101 10.981 6.556 1.639 1.00 32.13 C ATOM 1609 C CYS A 101 10.227 5.589 2.563 1.00 41.22 C ATOM 1610 O CYS A 101 10.092 5.866 3.758 1.00 51.12 O ATOM 1611 CB CYS A 101 10.108 7.017 0.456 1.00 24.31 C ATOM 1612 SG CYS A 101 10.038 8.830 0.410 1.00 30.32 S ATOM 0 H CYS A 101 12.362 6.000 0.172 1.00 2.14 H new ATOM 0 HA CYS A 101 11.228 7.452 2.209 1.00 32.13 H new ATOM 0 HB2 CYS A 101 10.518 6.636 -0.480 1.00 24.31 H new ATOM 0 HB3 CYS A 101 9.102 6.608 0.554 1.00 24.31 H new ATOM 0 HG CYS A 101 9.962 9.230 -0.825 1.00 30.32 H new ATOM 1618 N MET A 102 9.786 4.449 2.021 1.00 73.23 N ATOM 1619 CA MET A 102 8.925 3.472 2.689 1.00 51.34 C ATOM 1620 C MET A 102 9.487 3.037 4.041 1.00 2.54 C ATOM 1621 O MET A 102 8.755 3.046 5.035 1.00 44.15 O ATOM 1622 CB MET A 102 8.702 2.254 1.775 1.00 13.43 C ATOM 1623 CG MET A 102 7.810 2.587 0.574 1.00 35.24 C ATOM 1624 SD MET A 102 6.051 2.879 0.892 1.00 12.33 S ATOM 1625 CE MET A 102 5.480 1.209 1.299 1.00 1.45 C ATOM 0 H MET A 102 10.029 4.173 1.070 1.00 73.23 H new ATOM 0 HA MET A 102 7.967 3.954 2.884 1.00 51.34 H new ATOM 0 HB2 MET A 102 9.665 1.887 1.420 1.00 13.43 H new ATOM 0 HB3 MET A 102 8.247 1.448 2.351 1.00 13.43 H new ATOM 0 HG2 MET A 102 8.216 3.475 0.090 1.00 35.24 H new ATOM 0 HG3 MET A 102 7.891 1.769 -0.142 1.00 35.24 H new ATOM 0 HE1 MET A 102 4.742 1.262 2.100 1.00 1.45 H new ATOM 0 HE2 MET A 102 5.027 0.754 0.418 1.00 1.45 H new ATOM 0 HE3 MET A 102 6.326 0.604 1.625 1.00 1.45 H new ATOM 1635 N ARG A 103 10.776 2.683 4.119 1.00 74.23 N ATOM 1636 CA ARG A 103 11.353 2.107 5.336 1.00 20.31 C ATOM 1637 C ARG A 103 11.363 3.071 6.522 1.00 32.34 C ATOM 1638 O ARG A 103 11.627 2.638 7.647 1.00 52.43 O ATOM 1639 CB ARG A 103 12.717 1.458 5.035 1.00 3.43 C ATOM 1640 CG ARG A 103 13.920 2.358 4.705 1.00 73.32 C ATOM 1641 CD ARG A 103 14.556 3.074 5.908 1.00 62.04 C ATOM 1642 NE ARG A 103 14.392 4.539 5.841 1.00 63.45 N ATOM 1643 CZ ARG A 103 15.204 5.399 5.209 1.00 75.21 C ATOM 1644 NH1 ARG A 103 16.294 4.978 4.571 1.00 74.11 N ATOM 1645 NH2 ARG A 103 14.923 6.695 5.216 1.00 14.42 N ATOM 0 H ARG A 103 11.439 2.786 3.351 1.00 74.23 H new ATOM 0 HA ARG A 103 10.691 1.307 5.668 1.00 20.31 H new ATOM 0 HB2 ARG A 103 12.989 0.851 5.898 1.00 3.43 H new ATOM 0 HB3 ARG A 103 12.578 0.776 4.196 1.00 3.43 H new ATOM 0 HG2 ARG A 103 14.684 1.751 4.219 1.00 73.32 H new ATOM 0 HG3 ARG A 103 13.603 3.110 3.982 1.00 73.32 H new ATOM 0 HD2 ARG A 103 14.106 2.702 6.828 1.00 62.04 H new ATOM 0 HD3 ARG A 103 15.618 2.831 5.952 1.00 62.04 H new ATOM 0 HE ARG A 103 13.584 4.935 6.321 1.00 63.45 H new ATOM 0 HH11 ARG A 103 16.525 3.985 4.557 1.00 74.11 H new ATOM 0 HH12 ARG A 103 16.898 5.649 4.097 1.00 74.11 H new ATOM 0 HH21 ARG A 103 14.092 7.034 5.701 1.00 14.42 H new ATOM 0 HH22 ARG A 103 15.538 7.353 4.737 1.00 14.42 H new ATOM 1659 N SER A 104 11.093 4.359 6.303 1.00 21.50 N ATOM 1660 CA SER A 104 10.975 5.369 7.351 1.00 21.20 C ATOM 1661 C SER A 104 9.685 5.206 8.179 1.00 55.32 C ATOM 1662 O SER A 104 9.559 5.804 9.250 1.00 20.23 O ATOM 1663 CB SER A 104 11.046 6.761 6.705 1.00 72.42 C ATOM 1664 OG SER A 104 12.079 6.807 5.727 1.00 43.35 O ATOM 0 H SER A 104 10.947 4.736 5.367 1.00 21.50 H new ATOM 0 HA SER A 104 11.801 5.242 8.051 1.00 21.20 H new ATOM 0 HB2 SER A 104 10.089 7.003 6.243 1.00 72.42 H new ATOM 0 HB3 SER A 104 11.229 7.515 7.471 1.00 72.42 H new ATOM 0 HG SER A 104 11.726 6.507 4.864 1.00 43.35 H new ATOM 1670 N LEU A 105 8.717 4.416 7.701 1.00 41.04 N ATOM 1671 CA LEU A 105 7.495 4.071 8.425 1.00 62.53 C ATOM 1672 C LEU A 105 7.860 3.095 9.542 1.00 23.52 C ATOM 1673 O LEU A 105 8.662 2.183 9.334 1.00 33.43 O ATOM 1674 CB LEU A 105 6.494 3.471 7.418 1.00 70.34 C ATOM 1675 CG LEU A 105 4.999 3.749 7.674 1.00 63.34 C ATOM 1676 CD1 LEU A 105 4.218 3.531 6.380 1.00 52.23 C ATOM 1677 CD2 LEU A 105 4.360 2.884 8.716 1.00 65.21 C ATOM 0 H LEU A 105 8.766 3.989 6.776 1.00 41.04 H new ATOM 0 HA LEU A 105 7.027 4.942 8.884 1.00 62.53 H new ATOM 0 HB2 LEU A 105 6.744 3.846 6.426 1.00 70.34 H new ATOM 0 HB3 LEU A 105 6.640 2.391 7.396 1.00 70.34 H new ATOM 0 HG LEU A 105 4.963 4.776 8.036 1.00 63.34 H new ATOM 0 HD11 LEU A 105 3.160 3.726 6.556 1.00 52.23 H new ATOM 0 HD12 LEU A 105 4.589 4.210 5.612 1.00 52.23 H new ATOM 0 HD13 LEU A 105 4.346 2.501 6.047 1.00 52.23 H new ATOM 0 HD21 LEU A 105 3.310 3.157 8.822 1.00 65.21 H new ATOM 0 HD22 LEU A 105 4.434 1.839 8.417 1.00 65.21 H new ATOM 0 HD23 LEU A 105 4.870 3.026 9.669 1.00 65.21 H new ATOM 1689 N LYS A 106 7.296 3.295 10.734 1.00 63.14 N ATOM 1690 CA LYS A 106 7.474 2.388 11.862 1.00 54.13 C ATOM 1691 C LYS A 106 6.631 1.131 11.695 1.00 11.15 C ATOM 1692 O LYS A 106 7.174 0.028 11.810 1.00 25.22 O ATOM 1693 CB LYS A 106 7.108 3.075 13.174 1.00 33.15 C ATOM 1694 CG LYS A 106 8.265 3.939 13.697 1.00 71.14 C ATOM 1695 CD LYS A 106 8.078 4.066 15.203 1.00 74.45 C ATOM 1696 CE LYS A 106 9.217 4.799 15.904 1.00 21.54 C ATOM 1697 NZ LYS A 106 9.096 4.611 17.361 1.00 45.12 N ATOM 0 H LYS A 106 6.700 4.096 10.942 1.00 63.14 H new ATOM 0 HA LYS A 106 8.526 2.104 11.889 1.00 54.13 H new ATOM 0 HB2 LYS A 106 6.225 3.697 13.027 1.00 33.15 H new ATOM 0 HB3 LYS A 106 6.847 2.324 13.919 1.00 33.15 H new ATOM 0 HG2 LYS A 106 9.226 3.479 13.465 1.00 71.14 H new ATOM 0 HG3 LYS A 106 8.259 4.921 13.223 1.00 71.14 H new ATOM 0 HD2 LYS A 106 7.144 4.591 15.401 1.00 74.45 H new ATOM 0 HD3 LYS A 106 7.980 3.069 15.633 1.00 74.45 H new ATOM 0 HE2 LYS A 106 10.178 4.419 15.556 1.00 21.54 H new ATOM 0 HE3 LYS A 106 9.186 5.861 15.659 1.00 21.54 H new ATOM 0 HZ1 LYS A 106 9.872 5.110 17.841 1.00 45.12 H new ATOM 0 HZ2 LYS A 106 8.185 4.993 17.686 1.00 45.12 H new ATOM 0 HZ3 LYS A 106 9.146 3.597 17.585 1.00 45.12 H new ATOM 1711 N ALA A 107 5.323 1.312 11.485 1.00 70.42 N ATOM 1712 CA ALA A 107 4.369 0.223 11.317 1.00 25.33 C ATOM 1713 C ALA A 107 4.842 -0.665 10.156 1.00 21.33 C ATOM 1714 O ALA A 107 5.436 -0.149 9.205 1.00 22.33 O ATOM 1715 CB ALA A 107 2.967 0.803 11.082 1.00 3.12 C ATOM 0 H ALA A 107 4.896 2.236 11.427 1.00 70.42 H new ATOM 0 HA ALA A 107 4.313 -0.395 12.213 1.00 25.33 H new ATOM 0 HB1 ALA A 107 2.253 -0.011 10.956 1.00 3.12 H new ATOM 0 HB2 ALA A 107 2.677 1.411 11.939 1.00 3.12 H new ATOM 0 HB3 ALA A 107 2.975 1.421 10.184 1.00 3.12 H new ATOM 1721 N PRO A 108 4.642 -1.987 10.209 1.00 21.35 N ATOM 1722 CA PRO A 108 5.228 -2.884 9.230 1.00 40.20 C ATOM 1723 C PRO A 108 4.389 -2.831 7.955 1.00 31.04 C ATOM 1724 O PRO A 108 3.165 -2.708 8.024 1.00 22.52 O ATOM 1725 CB PRO A 108 5.177 -4.260 9.888 1.00 63.32 C ATOM 1726 CG PRO A 108 3.893 -4.188 10.709 1.00 22.30 C ATOM 1727 CD PRO A 108 3.813 -2.723 11.150 1.00 4.42 C ATOM 0 HA PRO A 108 6.249 -2.626 8.950 1.00 40.20 H new ATOM 0 HB2 PRO A 108 5.142 -5.061 9.150 1.00 63.32 H new ATOM 0 HB3 PRO A 108 6.050 -4.442 10.515 1.00 63.32 H new ATOM 0 HG2 PRO A 108 3.024 -4.474 10.116 1.00 22.30 H new ATOM 0 HG3 PRO A 108 3.929 -4.861 11.566 1.00 22.30 H new ATOM 0 HD2 PRO A 108 2.784 -2.363 11.131 1.00 4.42 H new ATOM 0 HD3 PRO A 108 4.175 -2.600 12.171 1.00 4.42 H new ATOM 1735 N ALA A 109 5.015 -2.990 6.796 1.00 42.34 N ATOM 1736 CA ALA A 109 4.329 -3.049 5.521 1.00 63.02 C ATOM 1737 C ALA A 109 4.869 -4.242 4.760 1.00 43.43 C ATOM 1738 O ALA A 109 6.042 -4.251 4.392 1.00 61.44 O ATOM 1739 CB ALA A 109 4.508 -1.739 4.746 1.00 64.42 C ATOM 0 H ALA A 109 6.028 -3.082 6.719 1.00 42.34 H new ATOM 0 HA ALA A 109 3.256 -3.171 5.666 1.00 63.02 H new ATOM 0 HB1 ALA A 109 3.985 -1.806 3.792 1.00 64.42 H new ATOM 0 HB2 ALA A 109 4.098 -0.913 5.328 1.00 64.42 H new ATOM 0 HB3 ALA A 109 5.569 -1.565 4.566 1.00 64.42 H new ATOM 1745 N VAL A 110 4.017 -5.236 4.515 1.00 62.11 N ATOM 1746 CA VAL A 110 4.261 -6.175 3.431 1.00 25.34 C ATOM 1747 C VAL A 110 4.163 -5.350 2.150 1.00 14.42 C ATOM 1748 O VAL A 110 3.149 -4.677 1.942 1.00 30.34 O ATOM 1749 CB VAL A 110 3.230 -7.319 3.466 1.00 12.40 C ATOM 1750 CG1 VAL A 110 3.329 -8.222 2.225 1.00 30.13 C ATOM 1751 CG2 VAL A 110 3.480 -8.212 4.687 1.00 72.41 C ATOM 0 H VAL A 110 3.164 -5.408 5.047 1.00 62.11 H new ATOM 0 HA VAL A 110 5.237 -6.655 3.508 1.00 25.34 H new ATOM 0 HB VAL A 110 2.246 -6.851 3.503 1.00 12.40 H new ATOM 0 HG11 VAL A 110 2.584 -9.015 2.292 1.00 30.13 H new ATOM 0 HG12 VAL A 110 3.149 -7.629 1.328 1.00 30.13 H new ATOM 0 HG13 VAL A 110 4.325 -8.663 2.174 1.00 30.13 H new ATOM 0 HG21 VAL A 110 2.747 -9.018 4.704 1.00 72.41 H new ATOM 0 HG22 VAL A 110 4.483 -8.635 4.629 1.00 72.41 H new ATOM 0 HG23 VAL A 110 3.388 -7.619 5.597 1.00 72.41 H new ATOM 1761 N VAL A 111 5.185 -5.387 1.299 1.00 14.40 N ATOM 1762 CA VAL A 111 5.132 -4.708 0.010 1.00 22.22 C ATOM 1763 C VAL A 111 5.455 -5.687 -1.111 1.00 55.13 C ATOM 1764 O VAL A 111 6.072 -6.727 -0.875 1.00 24.35 O ATOM 1765 CB VAL A 111 5.965 -3.404 0.008 1.00 31.14 C ATOM 1766 CG1 VAL A 111 5.763 -2.533 1.260 1.00 42.40 C ATOM 1767 CG2 VAL A 111 7.456 -3.668 -0.172 1.00 52.33 C ATOM 0 H VAL A 111 6.059 -5.880 1.480 1.00 14.40 H new ATOM 0 HA VAL A 111 4.115 -4.364 -0.180 1.00 22.22 H new ATOM 0 HB VAL A 111 5.585 -2.850 -0.851 1.00 31.14 H new ATOM 0 HG11 VAL A 111 6.380 -1.638 1.184 1.00 42.40 H new ATOM 0 HG12 VAL A 111 4.715 -2.245 1.338 1.00 42.40 H new ATOM 0 HG13 VAL A 111 6.051 -3.098 2.147 1.00 42.40 H new ATOM 0 HG21 VAL A 111 7.996 -2.721 -0.166 1.00 52.33 H new ATOM 0 HG22 VAL A 111 7.815 -4.296 0.643 1.00 52.33 H new ATOM 0 HG23 VAL A 111 7.624 -4.176 -1.122 1.00 52.33 H new ATOM 1777 N SER A 112 5.002 -5.371 -2.325 1.00 1.45 N ATOM 1778 CA SER A 112 5.021 -6.285 -3.452 1.00 32.31 C ATOM 1779 C SER A 112 5.610 -5.590 -4.680 1.00 65.11 C ATOM 1780 O SER A 112 5.733 -4.362 -4.698 1.00 4.45 O ATOM 1781 CB SER A 112 3.603 -6.805 -3.678 1.00 62.00 C ATOM 1782 OG SER A 112 3.615 -8.030 -4.380 1.00 12.12 O ATOM 0 H SER A 112 4.607 -4.458 -2.549 1.00 1.45 H new ATOM 0 HA SER A 112 5.663 -7.143 -3.251 1.00 32.31 H new ATOM 0 HB2 SER A 112 3.104 -6.938 -2.718 1.00 62.00 H new ATOM 0 HB3 SER A 112 3.027 -6.068 -4.237 1.00 62.00 H new ATOM 0 HG SER A 112 2.893 -8.035 -5.042 1.00 12.12 H new ATOM 1788 N VAL A 113 6.038 -6.369 -5.670 1.00 20.03 N ATOM 1789 CA VAL A 113 6.569 -5.918 -6.955 1.00 0.50 C ATOM 1790 C VAL A 113 5.993 -6.802 -8.062 1.00 14.11 C ATOM 1791 O VAL A 113 5.366 -7.831 -7.798 1.00 52.24 O ATOM 1792 CB VAL A 113 8.121 -5.932 -6.997 1.00 74.14 C ATOM 1793 CG1 VAL A 113 8.734 -4.576 -6.626 1.00 44.22 C ATOM 1794 CG2 VAL A 113 8.740 -7.061 -6.167 1.00 43.32 C ATOM 0 H VAL A 113 6.023 -7.386 -5.594 1.00 20.03 H new ATOM 0 HA VAL A 113 6.268 -4.881 -7.103 1.00 0.50 H new ATOM 0 HB VAL A 113 8.373 -6.133 -8.038 1.00 74.14 H new ATOM 0 HG11 VAL A 113 9.821 -4.643 -6.672 1.00 44.22 H new ATOM 0 HG12 VAL A 113 8.388 -3.816 -7.327 1.00 44.22 H new ATOM 0 HG13 VAL A 113 8.430 -4.303 -5.615 1.00 44.22 H new ATOM 0 HG21 VAL A 113 9.826 -7.013 -6.240 1.00 43.32 H new ATOM 0 HG22 VAL A 113 8.441 -6.952 -5.124 1.00 43.32 H new ATOM 0 HG23 VAL A 113 8.393 -8.023 -6.545 1.00 43.32 H new ATOM 1804 N SER A 114 6.215 -6.398 -9.312 1.00 44.34 N ATOM 1805 CA SER A 114 5.801 -7.131 -10.495 1.00 42.44 C ATOM 1806 C SER A 114 6.522 -8.490 -10.629 1.00 15.32 C ATOM 1807 O SER A 114 5.912 -9.432 -11.147 1.00 64.21 O ATOM 1808 CB SER A 114 6.017 -6.214 -11.716 1.00 24.53 C ATOM 1809 OG SER A 114 5.140 -6.508 -12.788 1.00 60.43 O ATOM 0 H SER A 114 6.701 -5.528 -9.530 1.00 44.34 H new ATOM 0 HA SER A 114 4.745 -7.391 -10.420 1.00 42.44 H new ATOM 0 HB2 SER A 114 5.878 -5.176 -11.414 1.00 24.53 H new ATOM 0 HB3 SER A 114 7.047 -6.311 -12.059 1.00 24.53 H new ATOM 0 HG SER A 114 5.318 -5.897 -13.533 1.00 60.43 H new ATOM 1815 N SER A 115 7.771 -8.638 -10.168 1.00 4.10 N ATOM 1816 CA SER A 115 8.567 -9.849 -10.388 1.00 54.12 C ATOM 1817 C SER A 115 9.372 -10.246 -9.143 1.00 13.51 C ATOM 1818 O SER A 115 9.855 -9.357 -8.438 1.00 62.14 O ATOM 1819 CB SER A 115 9.530 -9.613 -11.555 1.00 30.11 C ATOM 1820 OG SER A 115 8.838 -9.442 -12.776 1.00 1.41 O ATOM 0 H SER A 115 8.257 -7.919 -9.631 1.00 4.10 H new ATOM 0 HA SER A 115 7.878 -10.663 -10.613 1.00 54.12 H new ATOM 0 HB2 SER A 115 10.137 -8.730 -11.354 1.00 30.11 H new ATOM 0 HB3 SER A 115 10.214 -10.457 -11.639 1.00 30.11 H new ATOM 0 HG SER A 115 9.482 -9.292 -13.499 1.00 1.41 H new ATOM 1826 N PRO A 116 9.613 -11.555 -8.916 1.00 1.14 N ATOM 1827 CA PRO A 116 10.298 -12.079 -7.733 1.00 41.20 C ATOM 1828 C PRO A 116 11.760 -11.650 -7.659 1.00 75.41 C ATOM 1829 O PRO A 116 12.330 -11.567 -6.576 1.00 51.14 O ATOM 1830 CB PRO A 116 10.178 -13.598 -7.812 1.00 32.10 C ATOM 1831 CG PRO A 116 10.058 -13.846 -9.306 1.00 1.10 C ATOM 1832 CD PRO A 116 9.220 -12.661 -9.772 1.00 64.11 C ATOM 0 HA PRO A 116 9.839 -11.681 -6.828 1.00 41.20 H new ATOM 0 HB2 PRO A 116 11.050 -14.096 -7.388 1.00 32.10 H new ATOM 0 HB3 PRO A 116 9.306 -13.964 -7.269 1.00 32.10 H new ATOM 0 HG2 PRO A 116 11.033 -13.870 -9.793 1.00 1.10 H new ATOM 0 HG3 PRO A 116 9.571 -14.797 -9.521 1.00 1.10 H new ATOM 0 HD2 PRO A 116 9.409 -12.433 -10.821 1.00 64.11 H new ATOM 0 HD3 PRO A 116 8.155 -12.872 -9.679 1.00 64.11 H new ATOM 1840 N ASP A 117 12.371 -11.346 -8.798 1.00 71.15 N ATOM 1841 CA ASP A 117 13.750 -10.876 -8.841 1.00 42.03 C ATOM 1842 C ASP A 117 13.860 -9.558 -8.067 1.00 33.43 C ATOM 1843 O ASP A 117 14.747 -9.383 -7.232 1.00 24.21 O ATOM 1844 CB ASP A 117 14.206 -10.662 -10.297 1.00 50.31 C ATOM 1845 CG ASP A 117 13.996 -11.849 -11.239 1.00 11.02 C ATOM 1846 OD1 ASP A 117 14.159 -13.015 -10.837 1.00 51.11 O ATOM 1847 OD2 ASP A 117 13.630 -11.613 -12.418 1.00 75.32 O ATOM 0 H ASP A 117 11.927 -11.418 -9.713 1.00 71.15 H new ATOM 0 HA ASP A 117 14.393 -11.628 -8.385 1.00 42.03 H new ATOM 0 HB2 ASP A 117 13.674 -9.801 -10.702 1.00 50.31 H new ATOM 0 HB3 ASP A 117 15.266 -10.408 -10.293 1.00 50.31 H new ATOM 1852 N ALA A 118 12.901 -8.655 -8.302 1.00 73.22 N ATOM 1853 CA ALA A 118 12.924 -7.284 -7.813 1.00 15.31 C ATOM 1854 C ALA A 118 12.688 -7.215 -6.304 1.00 72.41 C ATOM 1855 O ALA A 118 12.959 -6.186 -5.694 1.00 32.41 O ATOM 1856 CB ALA A 118 11.869 -6.456 -8.559 1.00 4.33 C ATOM 0 H ALA A 118 12.069 -8.869 -8.852 1.00 73.22 H new ATOM 0 HA ALA A 118 13.915 -6.871 -8.004 1.00 15.31 H new ATOM 0 HB1 ALA A 118 11.886 -5.430 -8.193 1.00 4.33 H new ATOM 0 HB2 ALA A 118 12.088 -6.464 -9.627 1.00 4.33 H new ATOM 0 HB3 ALA A 118 10.882 -6.886 -8.388 1.00 4.33 H new ATOM 1862 N VAL A 119 12.190 -8.298 -5.706 1.00 34.30 N ATOM 1863 CA VAL A 119 11.921 -8.442 -4.282 1.00 44.43 C ATOM 1864 C VAL A 119 13.239 -8.238 -3.551 1.00 0.45 C ATOM 1865 O VAL A 119 13.342 -7.363 -2.700 1.00 12.43 O ATOM 1866 CB VAL A 119 11.308 -9.837 -4.030 1.00 53.30 C ATOM 1867 CG1 VAL A 119 10.868 -10.114 -2.581 1.00 65.21 C ATOM 1868 CG2 VAL A 119 10.056 -10.006 -4.882 1.00 1.12 C ATOM 0 H VAL A 119 11.953 -9.139 -6.232 1.00 34.30 H new ATOM 0 HA VAL A 119 11.204 -7.707 -3.916 1.00 44.43 H new ATOM 0 HB VAL A 119 12.112 -10.530 -4.278 1.00 53.30 H new ATOM 0 HG11 VAL A 119 10.452 -11.119 -2.513 1.00 65.21 H new ATOM 0 HG12 VAL A 119 11.729 -10.032 -1.917 1.00 65.21 H new ATOM 0 HG13 VAL A 119 10.111 -9.387 -2.285 1.00 65.21 H new ATOM 0 HG21 VAL A 119 9.624 -10.991 -4.703 1.00 1.12 H new ATOM 0 HG22 VAL A 119 9.329 -9.238 -4.617 1.00 1.12 H new ATOM 0 HG23 VAL A 119 10.317 -9.910 -5.936 1.00 1.12 H new ATOM 1878 N THR A 120 14.262 -9.003 -3.922 1.00 72.04 N ATOM 1879 CA THR A 120 15.584 -8.913 -3.338 1.00 24.41 C ATOM 1880 C THR A 120 16.266 -7.582 -3.681 1.00 64.45 C ATOM 1881 O THR A 120 16.940 -7.019 -2.812 1.00 65.52 O ATOM 1882 CB THR A 120 16.352 -10.158 -3.796 1.00 31.33 C ATOM 1883 OG1 THR A 120 15.828 -11.267 -3.072 1.00 45.41 O ATOM 1884 CG2 THR A 120 17.853 -10.036 -3.570 1.00 72.52 C ATOM 0 H THR A 120 14.187 -9.713 -4.650 1.00 72.04 H new ATOM 0 HA THR A 120 15.546 -8.905 -2.249 1.00 24.41 H new ATOM 0 HB THR A 120 16.221 -10.286 -4.870 1.00 31.33 H new ATOM 0 HG1 THR A 120 16.296 -12.084 -3.342 1.00 45.41 H new ATOM 0 HG21 THR A 120 18.348 -10.945 -3.912 1.00 72.52 H new ATOM 0 HG22 THR A 120 18.237 -9.182 -4.128 1.00 72.52 H new ATOM 0 HG23 THR A 120 18.051 -9.893 -2.508 1.00 72.52 H new ATOM 1892 N THR A 121 16.080 -7.061 -4.898 1.00 31.33 N ATOM 1893 CA THR A 121 16.626 -5.774 -5.310 1.00 24.41 C ATOM 1894 C THR A 121 16.119 -4.672 -4.369 1.00 54.34 C ATOM 1895 O THR A 121 16.928 -3.970 -3.758 1.00 24.40 O ATOM 1896 CB THR A 121 16.250 -5.519 -6.780 1.00 45.53 C ATOM 1897 OG1 THR A 121 16.370 -6.699 -7.548 1.00 52.22 O ATOM 1898 CG2 THR A 121 17.127 -4.454 -7.430 1.00 33.02 C ATOM 0 H THR A 121 15.541 -7.528 -5.627 1.00 31.33 H new ATOM 0 HA THR A 121 17.714 -5.775 -5.241 1.00 24.41 H new ATOM 0 HB THR A 121 15.216 -5.173 -6.764 1.00 45.53 H new ATOM 0 HG1 THR A 121 16.124 -6.511 -8.478 1.00 52.22 H new ATOM 0 HG21 THR A 121 16.820 -4.313 -8.466 1.00 33.02 H new ATOM 0 HG22 THR A 121 17.020 -3.514 -6.888 1.00 33.02 H new ATOM 0 HG23 THR A 121 18.169 -4.773 -7.401 1.00 33.02 H new ATOM 1906 N TYR A 122 14.791 -4.577 -4.205 1.00 30.02 N ATOM 1907 CA TYR A 122 14.112 -3.695 -3.264 1.00 53.12 C ATOM 1908 C TYR A 122 14.702 -3.924 -1.876 1.00 74.10 C ATOM 1909 O TYR A 122 15.189 -2.984 -1.244 1.00 33.24 O ATOM 1910 CB TYR A 122 12.588 -3.953 -3.323 1.00 41.55 C ATOM 1911 CG TYR A 122 11.642 -3.002 -2.583 1.00 61.34 C ATOM 1912 CD1 TYR A 122 11.966 -2.394 -1.353 1.00 23.12 C ATOM 1913 CD2 TYR A 122 10.371 -2.748 -3.136 1.00 51.50 C ATOM 1914 CE1 TYR A 122 11.075 -1.511 -0.726 1.00 72.52 C ATOM 1915 CE2 TYR A 122 9.468 -1.866 -2.516 1.00 10.11 C ATOM 1916 CZ TYR A 122 9.823 -1.242 -1.303 1.00 75.50 C ATOM 1917 OH TYR A 122 8.949 -0.429 -0.650 1.00 0.21 O ATOM 0 H TYR A 122 14.139 -5.140 -4.752 1.00 30.02 H new ATOM 0 HA TYR A 122 14.263 -2.647 -3.521 1.00 53.12 H new ATOM 0 HB2 TYR A 122 12.296 -3.956 -4.373 1.00 41.55 H new ATOM 0 HB3 TYR A 122 12.410 -4.958 -2.940 1.00 41.55 H new ATOM 0 HD1 TYR A 122 12.915 -2.612 -0.886 1.00 23.12 H new ATOM 0 HD2 TYR A 122 10.085 -3.240 -4.054 1.00 51.50 H new ATOM 0 HE1 TYR A 122 11.352 -1.036 0.204 1.00 72.52 H new ATOM 0 HE2 TYR A 122 8.507 -1.668 -2.967 1.00 10.11 H new ATOM 0 HH TYR A 122 9.447 0.225 -0.116 1.00 0.21 H new ATOM 1927 N ASN A 123 14.663 -5.171 -1.397 1.00 41.45 N ATOM 1928 CA ASN A 123 15.012 -5.515 -0.020 1.00 13.53 C ATOM 1929 C ASN A 123 16.424 -5.047 0.338 1.00 71.51 C ATOM 1930 O ASN A 123 16.671 -4.660 1.478 1.00 33.12 O ATOM 1931 CB ASN A 123 14.879 -7.029 0.233 1.00 31.24 C ATOM 1932 CG ASN A 123 14.372 -7.375 1.627 1.00 50.41 C ATOM 1933 OD1 ASN A 123 14.450 -6.583 2.567 1.00 13.01 O ATOM 1934 ND2 ASN A 123 13.764 -8.539 1.773 1.00 14.24 N ATOM 0 H ASN A 123 14.386 -5.975 -1.960 1.00 41.45 H new ATOM 0 HA ASN A 123 14.304 -4.993 0.624 1.00 13.53 H new ATOM 0 HB2 ASN A 123 14.200 -7.454 -0.507 1.00 31.24 H new ATOM 0 HB3 ASN A 123 15.850 -7.500 0.082 1.00 31.24 H new ATOM 0 HD21 ASN A 123 13.353 -8.790 2.672 1.00 14.24 H new ATOM 0 HD22 ASN A 123 13.706 -9.186 0.987 1.00 14.24 H new ATOM 1941 N GLY A 124 17.352 -5.020 -0.621 1.00 72.40 N ATOM 1942 CA GLY A 124 18.718 -4.587 -0.373 1.00 52.42 C ATOM 1943 C GLY A 124 18.810 -3.103 -0.018 1.00 24.24 C ATOM 1944 O GLY A 124 19.750 -2.700 0.666 1.00 60.13 O ATOM 0 H GLY A 124 17.173 -5.298 -1.586 1.00 72.40 H new ATOM 0 HA2 GLY A 124 19.140 -5.178 0.440 1.00 52.42 H new ATOM 0 HA3 GLY A 124 19.324 -4.783 -1.258 1.00 52.42 H new ATOM 1948 N TYR A 125 17.864 -2.262 -0.435 1.00 10.32 N ATOM 1949 CA TYR A 125 17.881 -0.837 -0.104 1.00 70.34 C ATOM 1950 C TYR A 125 17.430 -0.570 1.338 1.00 73.32 C ATOM 1951 O TYR A 125 17.634 0.526 1.869 1.00 14.05 O ATOM 1952 CB TYR A 125 16.955 -0.091 -1.061 1.00 43.42 C ATOM 1953 CG TYR A 125 17.194 -0.336 -2.540 1.00 71.25 C ATOM 1954 CD1 TYR A 125 18.481 -0.223 -3.107 1.00 14.02 C ATOM 1955 CD2 TYR A 125 16.102 -0.681 -3.357 1.00 3.21 C ATOM 1956 CE1 TYR A 125 18.665 -0.441 -4.487 1.00 1.44 C ATOM 1957 CE2 TYR A 125 16.284 -0.916 -4.728 1.00 52.41 C ATOM 1958 CZ TYR A 125 17.565 -0.795 -5.302 1.00 42.15 C ATOM 1959 OH TYR A 125 17.712 -0.999 -6.640 1.00 52.33 O ATOM 0 H TYR A 125 17.069 -2.546 -1.008 1.00 10.32 H new ATOM 0 HA TYR A 125 18.908 -0.486 -0.202 1.00 70.34 H new ATOM 0 HB2 TYR A 125 15.926 -0.366 -0.829 1.00 43.42 H new ATOM 0 HB3 TYR A 125 17.051 0.978 -0.869 1.00 43.42 H new ATOM 0 HD1 TYR A 125 19.325 0.031 -2.483 1.00 14.02 H new ATOM 0 HD2 TYR A 125 15.116 -0.766 -2.925 1.00 3.21 H new ATOM 0 HE1 TYR A 125 19.648 -0.338 -4.923 1.00 1.44 H new ATOM 0 HE2 TYR A 125 15.441 -1.190 -5.345 1.00 52.41 H new ATOM 0 HH TYR A 125 16.846 -1.236 -7.032 1.00 52.33 H new ATOM 1969 N LEU A 126 16.795 -1.555 1.980 1.00 24.43 N ATOM 1970 CA LEU A 126 16.376 -1.467 3.378 1.00 64.11 C ATOM 1971 C LEU A 126 17.616 -1.435 4.263 1.00 2.24 C ATOM 1972 O LEU A 126 17.609 -0.729 5.275 1.00 20.43 O ATOM 1973 CB LEU A 126 15.479 -2.654 3.789 1.00 34.04 C ATOM 1974 CG LEU A 126 14.016 -2.644 3.292 1.00 12.40 C ATOM 1975 CD1 LEU A 126 13.127 -1.984 4.344 1.00 61.54 C ATOM 1976 CD2 LEU A 126 13.782 -1.935 1.955 1.00 11.21 C ATOM 0 H LEU A 126 16.556 -2.443 1.538 1.00 24.43 H new ATOM 0 HA LEU A 126 15.791 -0.556 3.501 1.00 64.11 H new ATOM 0 HB2 LEU A 126 15.949 -3.571 3.434 1.00 34.04 H new ATOM 0 HB3 LEU A 126 15.465 -2.704 4.878 1.00 34.04 H new ATOM 0 HG LEU A 126 13.766 -3.692 3.130 1.00 12.40 H new ATOM 0 HD11 LEU A 126 12.094 -1.976 3.995 1.00 61.54 H new ATOM 0 HD12 LEU A 126 13.190 -2.544 5.277 1.00 61.54 H new ATOM 0 HD13 LEU A 126 13.461 -0.960 4.512 1.00 61.54 H new ATOM 0 HD21 LEU A 126 12.724 -1.985 1.697 1.00 11.21 H new ATOM 0 HD22 LEU A 126 14.086 -0.892 2.038 1.00 11.21 H new ATOM 0 HD23 LEU A 126 14.369 -2.423 1.177 1.00 11.21 H new