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 6 THR OG1 : rot 99:sc= 1.22 USER MOD Set 1.2: A 123 ASN : amide:sc= 1.07 K(o=2.3,f=-2.7!) USER MOD Set 2.1: A 114 SER OG : rot 180:sc= 0.878 USER MOD Set 2.2: A 115 SER OG : rot 76:sc= 1.03 USER MOD Set 3.1: A 14 MET CE :methyl -116:sc= -0.368 (180deg=-0.483) USER MOD Set 3.2: A 112 SER OG : rot 180:sc= -0.0624 USER MOD Set 4.1: A 46 LYS NZ :NH3+ -158:sc= 1.22 (180deg=-0.669) USER MOD Set 4.2: A 48 GLN : amide:sc= 1.02 K(o=2.2,f=-7.6!) USER MOD Set 5.1: A 17 HIS : no HE2:sc=-0.00495 K(o=1.3,f=-9.2!) USER MOD Set 5.2: A 23 LYS NZ :NH3+ -137:sc= 1.29 (180deg=0) USER MOD Single : A 8 SER OG : rot 39:sc= 0.368 USER MOD Single : A 10 ASN : amide:sc= -0.0161 X(o=-0.016,f=-0.016) USER MOD Single : A 21 THR OG1 : rot -56:sc= 1.26 USER MOD Single : A 25 MET CE :methyl 168:sc= -0.239 (180deg=-0.605) USER MOD Single : A 28 CYS SG : rot 79:sc= 0.118 USER MOD Single : A 29 MET CE :methyl -133:sc= -0.568 (180deg=-0.987) USER MOD Single : A 35 MET CE :methyl -162:sc= -0.478 (180deg=-0.538) USER MOD Single : A 37 THR OG1 : rot 77:sc= 0.108 USER MOD Single : A 39 GLN : amide:sc= -0.431 X(o=-0.43,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 37:sc= 1.28 USER MOD Single : A 43 LYS NZ :NH3+ -149:sc= 0.243 (180deg=0.0136) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 70:sc= -0.086 USER MOD Single : A 62 THR OG1 : rot -140:sc= 1.45 USER MOD Single : A 63 SER OG : rot 180:sc= 0.176 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -14:sc= 1.1 USER MOD Single : A 72 THR OG1 : rot 76:sc= 1.17 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -1.82! C(o=-1.8!,f=-2.1!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.105 K(o=-0.1,f=-1.6!) USER MOD Single : A 83 THR OG1 : rot 113:sc= 1.12 USER MOD Single : A 84 MET CE :methyl -169:sc= -0.438 (180deg=-0.717) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -2.12 K(o=-2.1,f=-4.1) USER MOD Single : A 94 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.0014) USER MOD Single : A 101 CYS SG : rot 164:sc= 0.208 USER MOD Single : A 102 MET CE :methyl 167:sc=-0.00846 (180deg=-0.215) USER MOD Single : A 104 SER OG : rot 91:sc= 1.18 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 122 TYR OH : rot 145:sc= 0.658 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 5 7.514 -9.004 5.048 1.00 42.31 N ATOM 54 CA GLY A 5 8.572 -8.252 4.399 1.00 5.54 C ATOM 55 C GLY A 5 8.197 -7.868 2.975 1.00 4.12 C ATOM 56 O GLY A 5 7.029 -7.912 2.582 1.00 73.15 O ATOM 0 HA2 GLY A 5 8.784 -7.351 4.975 1.00 5.54 H new ATOM 0 HA3 GLY A 5 9.486 -8.846 4.387 1.00 5.54 H new ATOM 60 N THR A 6 9.191 -7.439 2.204 1.00 35.30 N ATOM 61 CA THR A 6 9.039 -7.331 0.763 1.00 21.21 C ATOM 62 C THR A 6 8.821 -8.745 0.203 1.00 13.04 C ATOM 63 O THR A 6 9.459 -9.691 0.672 1.00 63.53 O ATOM 64 CB THR A 6 10.269 -6.644 0.148 1.00 60.23 C ATOM 65 OG1 THR A 6 10.666 -5.535 0.938 1.00 63.41 O ATOM 66 CG2 THR A 6 9.988 -6.137 -1.270 1.00 12.14 C ATOM 0 H THR A 6 10.108 -7.162 2.555 1.00 35.30 H new ATOM 0 HA THR A 6 8.178 -6.713 0.507 1.00 21.21 H new ATOM 0 HB THR A 6 11.060 -7.393 0.113 1.00 60.23 H new ATOM 0 HG1 THR A 6 11.408 -5.798 1.522 1.00 63.41 H new ATOM 0 HG21 THR A 6 10.882 -5.658 -1.669 1.00 12.14 H new ATOM 0 HG22 THR A 6 9.710 -6.976 -1.908 1.00 12.14 H new ATOM 0 HG23 THR A 6 9.171 -5.416 -1.243 1.00 12.14 H new ATOM 74 N VAL A 7 7.962 -8.888 -0.808 1.00 60.15 N ATOM 75 CA VAL A 7 7.654 -10.127 -1.517 1.00 43.23 C ATOM 76 C VAL A 7 7.307 -9.818 -2.988 1.00 31.33 C ATOM 77 O VAL A 7 7.315 -8.656 -3.402 1.00 32.20 O ATOM 78 CB VAL A 7 6.508 -10.873 -0.808 1.00 71.14 C ATOM 79 CG1 VAL A 7 6.876 -11.400 0.586 1.00 43.23 C ATOM 80 CG2 VAL A 7 5.227 -10.029 -0.690 1.00 62.22 C ATOM 0 H VAL A 7 7.434 -8.096 -1.173 1.00 60.15 H new ATOM 0 HA VAL A 7 8.528 -10.778 -1.508 1.00 43.23 H new ATOM 0 HB VAL A 7 6.321 -11.728 -1.458 1.00 71.14 H new ATOM 0 HG11 VAL A 7 6.017 -11.913 1.020 1.00 43.23 H new ATOM 0 HG12 VAL A 7 7.711 -12.096 0.503 1.00 43.23 H new ATOM 0 HG13 VAL A 7 7.162 -10.566 1.227 1.00 43.23 H new ATOM 0 HG21 VAL A 7 4.456 -10.608 -0.182 1.00 62.22 H new ATOM 0 HG22 VAL A 7 5.438 -9.125 -0.118 1.00 62.22 H new ATOM 0 HG23 VAL A 7 4.879 -9.755 -1.686 1.00 62.22 H new ATOM 90 N SER A 8 6.966 -10.833 -3.791 1.00 34.42 N ATOM 91 CA SER A 8 6.376 -10.644 -5.111 1.00 33.33 C ATOM 92 C SER A 8 5.061 -11.414 -5.119 1.00 4.02 C ATOM 93 O SER A 8 5.062 -12.637 -5.257 1.00 12.04 O ATOM 94 CB SER A 8 7.336 -11.056 -6.236 1.00 40.34 C ATOM 95 OG SER A 8 7.773 -12.395 -6.110 1.00 52.53 O ATOM 0 H SER A 8 7.095 -11.812 -3.537 1.00 34.42 H new ATOM 0 HA SER A 8 6.181 -9.589 -5.306 1.00 33.33 H new ATOM 0 HB2 SER A 8 6.840 -10.928 -7.198 1.00 40.34 H new ATOM 0 HB3 SER A 8 8.201 -10.393 -6.233 1.00 40.34 H new ATOM 0 HG SER A 8 7.031 -12.953 -5.798 1.00 52.53 H new ATOM 101 N TRP A 9 3.964 -10.695 -4.909 1.00 71.41 N ATOM 102 CA TRP A 9 2.596 -11.179 -5.024 1.00 33.35 C ATOM 103 C TRP A 9 1.943 -10.458 -6.199 1.00 4.42 C ATOM 104 O TRP A 9 2.546 -9.542 -6.769 1.00 12.15 O ATOM 105 CB TRP A 9 1.874 -10.912 -3.694 1.00 23.52 C ATOM 106 CG TRP A 9 2.277 -11.781 -2.541 1.00 23.21 C ATOM 107 CD1 TRP A 9 3.038 -12.899 -2.606 1.00 1.25 C ATOM 108 CD2 TRP A 9 1.998 -11.575 -1.125 1.00 73.41 C ATOM 109 NE1 TRP A 9 3.241 -13.400 -1.339 1.00 2.45 N ATOM 110 CE2 TRP A 9 2.707 -12.564 -0.381 1.00 20.25 C ATOM 111 CE3 TRP A 9 1.256 -10.624 -0.392 1.00 32.24 C ATOM 112 CZ2 TRP A 9 2.787 -12.525 1.019 1.00 11.10 C ATOM 113 CZ3 TRP A 9 1.345 -10.566 1.009 1.00 4.43 C ATOM 114 CH2 TRP A 9 2.163 -11.471 1.705 1.00 35.43 C ATOM 0 H TRP A 9 4.008 -9.712 -4.641 1.00 71.41 H new ATOM 0 HA TRP A 9 2.550 -12.251 -5.215 1.00 33.35 H new ATOM 0 HB2 TRP A 9 2.042 -9.872 -3.415 1.00 23.52 H new ATOM 0 HB3 TRP A 9 0.802 -11.030 -3.855 1.00 23.52 H new ATOM 0 HD1 TRP A 9 3.428 -13.333 -3.515 1.00 1.25 H new ATOM 0 HE1 TRP A 9 3.723 -14.275 -1.136 1.00 2.45 H new ATOM 0 HE3 TRP A 9 0.612 -9.932 -0.915 1.00 32.24 H new ATOM 0 HZ2 TRP A 9 3.320 -13.293 1.560 1.00 11.10 H new ATOM 0 HZ3 TRP A 9 0.782 -9.822 1.553 1.00 4.43 H new ATOM 0 HH2 TRP A 9 2.312 -11.356 2.768 1.00 35.43 H new ATOM 125 N ASN A 10 0.725 -10.863 -6.560 1.00 33.42 N ATOM 126 CA ASN A 10 -0.071 -10.145 -7.558 1.00 55.24 C ATOM 127 C ASN A 10 -1.054 -9.266 -6.797 1.00 44.03 C ATOM 128 O ASN A 10 -1.287 -9.493 -5.607 1.00 33.44 O ATOM 129 CB ASN A 10 -0.847 -11.072 -8.520 1.00 44.03 C ATOM 130 CG ASN A 10 -0.331 -12.495 -8.579 1.00 42.11 C ATOM 131 OD1 ASN A 10 0.615 -12.823 -9.292 1.00 24.14 O ATOM 132 ND2 ASN A 10 -0.953 -13.382 -7.831 1.00 22.43 N ATOM 0 H ASN A 10 0.266 -11.688 -6.175 1.00 33.42 H new ATOM 0 HA ASN A 10 0.608 -9.568 -8.186 1.00 55.24 H new ATOM 0 HB2 ASN A 10 -1.894 -11.092 -8.219 1.00 44.03 H new ATOM 0 HB3 ASN A 10 -0.812 -10.645 -9.522 1.00 44.03 H new ATOM 0 HD21 ASN A 10 -0.651 -14.356 -7.838 1.00 22.43 H new ATOM 0 HD22 ASN A 10 -1.736 -13.095 -7.244 1.00 22.43 H new ATOM 139 N LEU A 11 -1.727 -8.347 -7.492 1.00 62.42 N ATOM 140 CA LEU A 11 -2.745 -7.498 -6.887 1.00 75.13 C ATOM 141 C LEU A 11 -3.806 -8.328 -6.165 1.00 43.45 C ATOM 142 O LEU A 11 -4.228 -7.931 -5.083 1.00 14.13 O ATOM 143 CB LEU A 11 -3.397 -6.608 -7.961 1.00 21.41 C ATOM 144 CG LEU A 11 -4.579 -5.769 -7.426 1.00 73.41 C ATOM 145 CD1 LEU A 11 -4.152 -4.779 -6.336 1.00 4.10 C ATOM 146 CD2 LEU A 11 -5.226 -5.015 -8.587 1.00 13.12 C ATOM 0 H LEU A 11 -1.580 -8.174 -8.486 1.00 62.42 H new ATOM 0 HA LEU A 11 -2.260 -6.864 -6.145 1.00 75.13 H new ATOM 0 HB2 LEU A 11 -2.643 -5.938 -8.374 1.00 21.41 H new ATOM 0 HB3 LEU A 11 -3.748 -7.237 -8.779 1.00 21.41 H new ATOM 0 HG LEU A 11 -5.293 -6.455 -6.971 1.00 73.41 H new ATOM 0 HD11 LEU A 11 -5.021 -4.216 -5.996 1.00 4.10 H new ATOM 0 HD12 LEU A 11 -3.722 -5.325 -5.496 1.00 4.10 H new ATOM 0 HD13 LEU A 11 -3.409 -4.091 -6.740 1.00 4.10 H new ATOM 0 HD21 LEU A 11 -6.061 -4.421 -8.215 1.00 13.12 H new ATOM 0 HD22 LEU A 11 -4.490 -4.357 -9.049 1.00 13.12 H new ATOM 0 HD23 LEU A 11 -5.589 -5.728 -9.327 1.00 13.12 H new ATOM 158 N ARG A 12 -4.273 -9.443 -6.746 1.00 0.43 N ATOM 159 CA ARG A 12 -5.370 -10.173 -6.108 1.00 53.11 C ATOM 160 C ARG A 12 -4.868 -10.940 -4.893 1.00 20.35 C ATOM 161 O ARG A 12 -5.609 -11.025 -3.921 1.00 15.02 O ATOM 162 CB ARG A 12 -6.090 -11.092 -7.108 1.00 52.43 C ATOM 163 CG ARG A 12 -7.215 -10.341 -7.830 1.00 44.31 C ATOM 164 CD ARG A 12 -7.872 -11.201 -8.921 1.00 3.12 C ATOM 165 NE ARG A 12 -8.738 -12.253 -8.365 1.00 72.11 N ATOM 166 CZ ARG A 12 -9.401 -13.183 -9.064 1.00 2.13 C ATOM 167 NH1 ARG A 12 -9.366 -13.241 -10.389 1.00 40.33 N ATOM 168 NH2 ARG A 12 -10.144 -14.072 -8.431 1.00 54.35 N ATOM 0 H ARG A 12 -3.925 -9.843 -7.618 1.00 0.43 H new ATOM 0 HA ARG A 12 -6.105 -9.447 -5.761 1.00 53.11 H new ATOM 0 HB2 ARG A 12 -5.375 -11.473 -7.837 1.00 52.43 H new ATOM 0 HB3 ARG A 12 -6.501 -11.955 -6.584 1.00 52.43 H new ATOM 0 HG2 ARG A 12 -7.970 -10.035 -7.106 1.00 44.31 H new ATOM 0 HG3 ARG A 12 -6.815 -9.431 -8.277 1.00 44.31 H new ATOM 0 HD2 ARG A 12 -8.460 -10.561 -9.579 1.00 3.12 H new ATOM 0 HD3 ARG A 12 -7.096 -11.660 -9.534 1.00 3.12 H new ATOM 0 HE ARG A 12 -8.843 -12.276 -7.351 1.00 72.11 H new ATOM 0 HH11 ARG A 12 -8.819 -12.560 -10.915 1.00 40.33 H new ATOM 0 HH12 ARG A 12 -9.887 -13.967 -10.882 1.00 40.33 H new ATOM 0 HH21 ARG A 12 -10.211 -14.049 -7.413 1.00 54.35 H new ATOM 0 HH22 ARG A 12 -10.651 -14.782 -8.959 1.00 54.35 H new ATOM 182 N GLU A 13 -3.627 -11.434 -4.923 1.00 72.52 N ATOM 183 CA GLU A 13 -2.992 -12.054 -3.766 1.00 3.41 C ATOM 184 C GLU A 13 -2.940 -11.040 -2.626 1.00 1.03 C ATOM 185 O GLU A 13 -3.441 -11.306 -1.538 1.00 32.43 O ATOM 186 CB GLU A 13 -1.597 -12.602 -4.110 1.00 4.40 C ATOM 187 CG GLU A 13 -1.625 -14.113 -4.363 1.00 11.23 C ATOM 188 CD GLU A 13 -1.892 -14.928 -3.089 1.00 3.50 C ATOM 189 OE1 GLU A 13 -1.198 -14.708 -2.069 1.00 60.34 O ATOM 190 OE2 GLU A 13 -2.810 -15.772 -3.087 1.00 64.43 O ATOM 0 H GLU A 13 -3.036 -11.413 -5.754 1.00 72.52 H new ATOM 0 HA GLU A 13 -3.584 -12.912 -3.449 1.00 3.41 H new ATOM 0 HB2 GLU A 13 -1.214 -12.093 -4.994 1.00 4.40 H new ATOM 0 HB3 GLU A 13 -0.909 -12.383 -3.293 1.00 4.40 H new ATOM 0 HG2 GLU A 13 -2.395 -14.338 -5.100 1.00 11.23 H new ATOM 0 HG3 GLU A 13 -0.672 -14.422 -4.793 1.00 11.23 H new ATOM 197 N MET A 14 -2.364 -9.864 -2.889 1.00 63.42 N ATOM 198 CA MET A 14 -2.189 -8.825 -1.886 1.00 23.54 C ATOM 199 C MET A 14 -3.543 -8.386 -1.324 1.00 34.14 C ATOM 200 O MET A 14 -3.709 -8.302 -0.106 1.00 23.20 O ATOM 201 CB MET A 14 -1.471 -7.608 -2.483 1.00 74.35 C ATOM 202 CG MET A 14 -0.080 -7.838 -3.075 1.00 12.10 C ATOM 203 SD MET A 14 1.283 -7.529 -1.921 1.00 64.53 S ATOM 204 CE MET A 14 1.186 -5.732 -1.716 1.00 73.31 C ATOM 0 H MET A 14 -2.006 -9.610 -3.810 1.00 63.42 H new ATOM 0 HA MET A 14 -1.582 -9.239 -1.081 1.00 23.54 H new ATOM 0 HB2 MET A 14 -2.106 -7.191 -3.265 1.00 74.35 H new ATOM 0 HB3 MET A 14 -1.386 -6.850 -1.704 1.00 74.35 H new ATOM 0 HG2 MET A 14 -0.014 -8.867 -3.429 1.00 12.10 H new ATOM 0 HG3 MET A 14 0.043 -7.193 -3.945 1.00 12.10 H new ATOM 0 HE1 MET A 14 2.095 -5.272 -2.105 1.00 73.31 H new ATOM 0 HE2 MET A 14 0.324 -5.350 -2.262 1.00 73.31 H new ATOM 0 HE3 MET A 14 1.082 -5.492 -0.658 1.00 73.31 H new ATOM 214 N LEU A 15 -4.500 -8.083 -2.211 1.00 42.23 N ATOM 215 CA LEU A 15 -5.798 -7.543 -1.841 1.00 13.41 C ATOM 216 C LEU A 15 -6.543 -8.530 -0.955 1.00 72.33 C ATOM 217 O LEU A 15 -7.000 -8.162 0.132 1.00 34.52 O ATOM 218 CB LEU A 15 -6.637 -7.205 -3.086 1.00 52.34 C ATOM 219 CG LEU A 15 -7.966 -6.512 -2.699 1.00 31.10 C ATOM 220 CD1 LEU A 15 -7.809 -4.993 -2.728 1.00 60.22 C ATOM 221 CD2 LEU A 15 -9.095 -6.891 -3.655 1.00 3.01 C ATOM 0 H LEU A 15 -4.385 -8.211 -3.216 1.00 42.23 H new ATOM 0 HA LEU A 15 -5.634 -6.619 -1.286 1.00 13.41 H new ATOM 0 HB2 LEU A 15 -6.064 -6.554 -3.747 1.00 52.34 H new ATOM 0 HB3 LEU A 15 -6.849 -8.118 -3.643 1.00 52.34 H new ATOM 0 HG LEU A 15 -8.216 -6.848 -1.693 1.00 31.10 H new ATOM 0 HD11 LEU A 15 -8.754 -4.524 -2.453 1.00 60.22 H new ATOM 0 HD12 LEU A 15 -7.036 -4.694 -2.020 1.00 60.22 H new ATOM 0 HD13 LEU A 15 -7.525 -4.676 -3.731 1.00 60.22 H new ATOM 0 HD21 LEU A 15 -10.013 -6.386 -3.353 1.00 3.01 H new ATOM 0 HD22 LEU A 15 -8.831 -6.588 -4.668 1.00 3.01 H new ATOM 0 HD23 LEU A 15 -9.248 -7.970 -3.627 1.00 3.01 H new ATOM 233 N ALA A 16 -6.711 -9.748 -1.468 1.00 23.34 N ATOM 234 CA ALA A 16 -7.521 -10.772 -0.852 1.00 51.23 C ATOM 235 C ALA A 16 -6.910 -11.198 0.476 1.00 1.25 C ATOM 236 O ALA A 16 -7.658 -11.391 1.435 1.00 60.13 O ATOM 237 CB ALA A 16 -7.633 -11.954 -1.808 1.00 33.45 C ATOM 0 H ALA A 16 -6.275 -10.046 -2.341 1.00 23.34 H new ATOM 0 HA ALA A 16 -8.519 -10.384 -0.648 1.00 51.23 H new ATOM 0 HB1 ALA A 16 -8.243 -12.734 -1.352 1.00 33.45 H new ATOM 0 HB2 ALA A 16 -8.097 -11.627 -2.738 1.00 33.45 H new ATOM 0 HB3 ALA A 16 -6.638 -12.348 -2.018 1.00 33.45 H new ATOM 243 N HIS A 17 -5.575 -11.304 0.556 1.00 14.45 N ATOM 244 CA HIS A 17 -4.885 -11.647 1.792 1.00 64.42 C ATOM 245 C HIS A 17 -5.202 -10.632 2.886 1.00 20.20 C ATOM 246 O HIS A 17 -5.504 -11.012 4.014 1.00 31.50 O ATOM 247 CB HIS A 17 -3.364 -11.719 1.588 1.00 52.02 C ATOM 248 CG HIS A 17 -2.670 -12.148 2.852 1.00 73.41 C ATOM 249 ND1 HIS A 17 -2.837 -13.368 3.465 1.00 21.50 N ATOM 250 CD2 HIS A 17 -1.886 -11.373 3.662 1.00 12.54 C ATOM 251 CE1 HIS A 17 -2.176 -13.344 4.626 1.00 75.13 C ATOM 252 NE2 HIS A 17 -1.583 -12.149 4.790 1.00 1.53 N ATOM 0 H HIS A 17 -4.951 -11.153 -0.237 1.00 14.45 H new ATOM 0 HA HIS A 17 -5.241 -12.631 2.097 1.00 64.42 H new ATOM 0 HB2 HIS A 17 -3.134 -12.421 0.786 1.00 52.02 H new ATOM 0 HB3 HIS A 17 -2.989 -10.744 1.276 1.00 52.02 H new ATOM 0 HD1 HIS A 17 -3.372 -14.154 3.097 1.00 21.50 H new ATOM 0 HD2 HIS A 17 -1.563 -10.360 3.470 1.00 12.54 H new ATOM 0 HE1 HIS A 17 -2.126 -14.163 5.328 1.00 75.13 H new ATOM 260 N ALA A 18 -5.163 -9.337 2.575 1.00 3.33 N ATOM 261 CA ALA A 18 -5.426 -8.283 3.537 1.00 40.43 C ATOM 262 C ALA A 18 -6.857 -8.412 4.045 1.00 73.54 C ATOM 263 O ALA A 18 -7.063 -8.378 5.248 1.00 54.32 O ATOM 264 CB ALA A 18 -5.180 -6.943 2.840 1.00 71.24 C ATOM 0 H ALA A 18 -4.946 -8.994 1.639 1.00 3.33 H new ATOM 0 HA ALA A 18 -4.768 -8.354 4.403 1.00 40.43 H new ATOM 0 HB1 ALA A 18 -5.370 -6.129 3.539 1.00 71.24 H new ATOM 0 HB2 ALA A 18 -4.146 -6.895 2.499 1.00 71.24 H new ATOM 0 HB3 ALA A 18 -5.849 -6.850 1.984 1.00 71.24 H new ATOM 270 N GLU A 19 -7.846 -8.561 3.159 1.00 34.23 N ATOM 271 CA GLU A 19 -9.232 -8.730 3.497 1.00 53.14 C ATOM 272 C GLU A 19 -9.484 -10.000 4.333 1.00 53.43 C ATOM 273 O GLU A 19 -10.341 -9.993 5.223 1.00 21.25 O ATOM 274 CB GLU A 19 -10.012 -8.668 2.162 1.00 75.23 C ATOM 275 CG GLU A 19 -11.303 -7.875 2.287 1.00 42.02 C ATOM 276 CD GLU A 19 -12.523 -8.480 1.599 1.00 42.35 C ATOM 277 OE1 GLU A 19 -12.571 -8.448 0.350 1.00 74.33 O ATOM 278 OE2 GLU A 19 -13.448 -8.948 2.304 1.00 74.45 O ATOM 0 H GLU A 19 -7.680 -8.565 2.153 1.00 34.23 H new ATOM 0 HA GLU A 19 -9.585 -7.938 4.157 1.00 53.14 H new ATOM 0 HB2 GLU A 19 -9.382 -8.215 1.396 1.00 75.23 H new ATOM 0 HB3 GLU A 19 -10.240 -9.681 1.829 1.00 75.23 H new ATOM 0 HG2 GLU A 19 -11.530 -7.752 3.346 1.00 42.02 H new ATOM 0 HG3 GLU A 19 -11.136 -6.878 1.879 1.00 42.02 H new ATOM 285 N GLU A 20 -8.696 -11.058 4.115 1.00 1.40 N ATOM 286 CA GLU A 20 -8.716 -12.276 4.920 1.00 32.11 C ATOM 287 C GLU A 20 -8.123 -12.026 6.318 1.00 41.24 C ATOM 288 O GLU A 20 -8.529 -12.673 7.283 1.00 62.32 O ATOM 289 CB GLU A 20 -7.908 -13.365 4.190 1.00 61.41 C ATOM 290 CG GLU A 20 -8.237 -14.791 4.646 1.00 43.12 C ATOM 291 CD GLU A 20 -9.450 -15.347 3.904 1.00 52.21 C ATOM 292 OE1 GLU A 20 -10.598 -15.184 4.373 1.00 21.15 O ATOM 293 OE2 GLU A 20 -9.284 -15.988 2.842 1.00 74.24 O ATOM 0 H GLU A 20 -8.014 -11.089 3.357 1.00 1.40 H new ATOM 0 HA GLU A 20 -9.749 -12.600 5.051 1.00 32.11 H new ATOM 0 HB2 GLU A 20 -8.093 -13.285 3.119 1.00 61.41 H new ATOM 0 HB3 GLU A 20 -6.845 -13.180 4.345 1.00 61.41 H new ATOM 0 HG2 GLU A 20 -7.376 -15.437 4.475 1.00 43.12 H new ATOM 0 HG3 GLU A 20 -8.431 -14.796 5.719 1.00 43.12 H new ATOM 300 N THR A 21 -7.199 -11.073 6.449 1.00 25.11 N ATOM 301 CA THR A 21 -6.352 -10.849 7.612 1.00 3.34 C ATOM 302 C THR A 21 -6.614 -9.470 8.230 1.00 11.05 C ATOM 303 O THR A 21 -7.691 -8.886 8.104 1.00 31.40 O ATOM 304 CB THR A 21 -4.873 -11.146 7.282 1.00 2.22 C ATOM 305 OG1 THR A 21 -4.374 -10.296 6.281 1.00 62.33 O ATOM 306 CG2 THR A 21 -4.653 -12.597 6.857 1.00 12.01 C ATOM 0 H THR A 21 -7.015 -10.402 5.703 1.00 25.11 H new ATOM 0 HA THR A 21 -6.616 -11.560 8.395 1.00 3.34 H new ATOM 0 HB THR A 21 -4.327 -10.965 8.208 1.00 2.22 H new ATOM 0 HG1 THR A 21 -4.936 -10.368 5.481 1.00 62.33 H new ATOM 0 HG21 THR A 21 -3.597 -12.755 6.636 1.00 12.01 H new ATOM 0 HG22 THR A 21 -4.958 -13.263 7.664 1.00 12.01 H new ATOM 0 HG23 THR A 21 -5.246 -12.809 5.967 1.00 12.01 H new ATOM 314 N ARG A 22 -5.679 -9.024 9.069 1.00 41.51 N ATOM 315 CA ARG A 22 -5.764 -7.817 9.881 1.00 53.12 C ATOM 316 C ARG A 22 -4.565 -6.965 9.511 1.00 41.31 C ATOM 317 O ARG A 22 -3.686 -6.719 10.344 1.00 2.04 O ATOM 318 CB ARG A 22 -5.836 -8.166 11.383 1.00 31.52 C ATOM 319 CG ARG A 22 -6.867 -9.241 11.756 1.00 61.11 C ATOM 320 CD ARG A 22 -8.261 -8.970 11.177 1.00 12.42 C ATOM 321 NE ARG A 22 -9.318 -9.301 12.132 1.00 3.44 N ATOM 322 CZ ARG A 22 -9.834 -8.497 13.059 1.00 11.24 C ATOM 323 NH1 ARG A 22 -9.448 -7.225 13.160 1.00 72.41 N ATOM 324 NH2 ARG A 22 -10.726 -8.988 13.902 1.00 71.11 N ATOM 0 H ARG A 22 -4.799 -9.522 9.205 1.00 41.51 H new ATOM 0 HA ARG A 22 -6.678 -7.256 9.685 1.00 53.12 H new ATOM 0 HB2 ARG A 22 -4.851 -8.501 11.709 1.00 31.52 H new ATOM 0 HB3 ARG A 22 -6.064 -7.257 11.940 1.00 31.52 H new ATOM 0 HG2 ARG A 22 -6.516 -10.210 11.402 1.00 61.11 H new ATOM 0 HG3 ARG A 22 -6.938 -9.305 12.842 1.00 61.11 H new ATOM 0 HD2 ARG A 22 -8.340 -7.920 10.896 1.00 12.42 H new ATOM 0 HD3 ARG A 22 -8.397 -9.554 10.267 1.00 12.42 H new ATOM 0 HE ARG A 22 -9.699 -10.246 12.083 1.00 3.44 H new ATOM 0 HH11 ARG A 22 -8.746 -6.853 12.520 1.00 72.41 H new ATOM 0 HH12 ARG A 22 -9.855 -6.624 13.877 1.00 72.41 H new ATOM 0 HH21 ARG A 22 -11.007 -9.966 13.835 1.00 71.11 H new ATOM 0 HH22 ARG A 22 -11.133 -8.389 14.620 1.00 71.11 H new ATOM 338 N LYS A 23 -4.460 -6.654 8.219 1.00 63.42 N ATOM 339 CA LYS A 23 -3.330 -5.982 7.592 1.00 32.41 C ATOM 340 C LYS A 23 -3.965 -4.923 6.707 1.00 62.12 C ATOM 341 O LYS A 23 -4.718 -5.285 5.808 1.00 22.23 O ATOM 342 CB LYS A 23 -2.471 -6.975 6.789 1.00 61.13 C ATOM 343 CG LYS A 23 -1.800 -7.983 7.732 1.00 1.40 C ATOM 344 CD LYS A 23 -1.201 -9.191 7.012 1.00 54.04 C ATOM 345 CE LYS A 23 -0.969 -10.267 8.073 1.00 31.45 C ATOM 346 NZ LYS A 23 -0.656 -11.576 7.475 1.00 35.30 N ATOM 0 H LYS A 23 -5.199 -6.876 7.552 1.00 63.42 H new ATOM 0 HA LYS A 23 -2.646 -5.541 8.317 1.00 32.41 H new ATOM 0 HB2 LYS A 23 -3.093 -7.502 6.065 1.00 61.13 H new ATOM 0 HB3 LYS A 23 -1.712 -6.435 6.223 1.00 61.13 H new ATOM 0 HG2 LYS A 23 -1.013 -7.477 8.291 1.00 1.40 H new ATOM 0 HG3 LYS A 23 -2.533 -8.331 8.459 1.00 1.40 H new ATOM 0 HD2 LYS A 23 -1.876 -9.552 6.236 1.00 54.04 H new ATOM 0 HD3 LYS A 23 -0.265 -8.924 6.521 1.00 54.04 H new ATOM 0 HE2 LYS A 23 -0.151 -9.962 8.725 1.00 31.45 H new ATOM 0 HE3 LYS A 23 -1.858 -10.357 8.698 1.00 31.45 H new ATOM 0 HZ1 LYS A 23 -1.178 -12.321 7.978 1.00 35.30 H new ATOM 0 HZ2 LYS A 23 -0.934 -11.575 6.473 1.00 35.30 H new ATOM 0 HZ3 LYS A 23 0.365 -11.757 7.551 1.00 35.30 H new ATOM 360 N LEU A 24 -3.789 -3.640 7.015 1.00 4.40 N ATOM 361 CA LEU A 24 -4.498 -2.583 6.294 1.00 20.34 C ATOM 362 C LEU A 24 -3.901 -2.426 4.896 1.00 44.03 C ATOM 363 O LEU A 24 -2.692 -2.593 4.712 1.00 41.21 O ATOM 364 CB LEU A 24 -4.471 -1.286 7.120 1.00 52.05 C ATOM 365 CG LEU A 24 -5.096 -0.076 6.390 1.00 1.12 C ATOM 366 CD1 LEU A 24 -5.898 0.773 7.369 1.00 51.52 C ATOM 367 CD2 LEU A 24 -4.058 0.854 5.766 1.00 25.33 C ATOM 0 H LEU A 24 -3.167 -3.308 7.752 1.00 4.40 H new ATOM 0 HA LEU A 24 -5.547 -2.846 6.159 1.00 20.34 H new ATOM 0 HB2 LEU A 24 -5.004 -1.450 8.056 1.00 52.05 H new ATOM 0 HB3 LEU A 24 -3.438 -1.051 7.378 1.00 52.05 H new ATOM 0 HG LEU A 24 -5.718 -0.503 5.603 1.00 1.12 H new ATOM 0 HD11 LEU A 24 -6.333 1.622 6.842 1.00 51.52 H new ATOM 0 HD12 LEU A 24 -6.694 0.170 7.806 1.00 51.52 H new ATOM 0 HD13 LEU A 24 -5.241 1.135 8.160 1.00 51.52 H new ATOM 0 HD21 LEU A 24 -4.563 1.682 5.269 1.00 25.33 H new ATOM 0 HD22 LEU A 24 -3.403 1.243 6.545 1.00 25.33 H new ATOM 0 HD23 LEU A 24 -3.466 0.301 5.037 1.00 25.33 H new ATOM 379 N MET A 25 -4.731 -2.042 3.923 1.00 72.32 N ATOM 380 CA MET A 25 -4.347 -1.856 2.531 1.00 34.32 C ATOM 381 C MET A 25 -4.393 -0.370 2.147 1.00 12.13 C ATOM 382 O MET A 25 -5.463 0.115 1.764 1.00 63.25 O ATOM 383 CB MET A 25 -5.153 -2.787 1.609 1.00 22.44 C ATOM 384 CG MET A 25 -4.833 -2.590 0.119 1.00 53.12 C ATOM 385 SD MET A 25 -3.220 -3.124 -0.504 1.00 24.20 S ATOM 386 CE MET A 25 -3.697 -4.691 -1.270 1.00 43.11 C ATOM 0 H MET A 25 -5.718 -1.847 4.093 1.00 72.32 H new ATOM 0 HA MET A 25 -3.307 -2.155 2.395 1.00 34.32 H new ATOM 0 HB2 MET A 25 -4.951 -3.823 1.883 1.00 22.44 H new ATOM 0 HB3 MET A 25 -6.217 -2.616 1.771 1.00 22.44 H new ATOM 0 HG2 MET A 25 -5.598 -3.113 -0.455 1.00 53.12 H new ATOM 0 HG3 MET A 25 -4.938 -1.528 -0.104 1.00 53.12 H new ATOM 0 HE1 MET A 25 -2.877 -5.059 -1.887 1.00 43.11 H new ATOM 0 HE2 MET A 25 -3.922 -5.422 -0.493 1.00 43.11 H new ATOM 0 HE3 MET A 25 -4.579 -4.538 -1.892 1.00 43.11 H new ATOM 396 N PRO A 26 -3.318 0.418 2.347 1.00 34.42 N ATOM 397 CA PRO A 26 -3.273 1.755 1.774 1.00 34.45 C ATOM 398 C PRO A 26 -3.132 1.692 0.248 1.00 0.34 C ATOM 399 O PRO A 26 -2.349 0.883 -0.262 1.00 2.35 O ATOM 400 CB PRO A 26 -2.068 2.410 2.432 1.00 3.34 C ATOM 401 CG PRO A 26 -1.091 1.257 2.645 1.00 0.10 C ATOM 402 CD PRO A 26 -1.990 0.031 2.823 1.00 35.31 C ATOM 0 HA PRO A 26 -4.186 2.322 1.955 1.00 34.45 H new ATOM 0 HB2 PRO A 26 -1.639 3.185 1.797 1.00 3.34 H new ATOM 0 HB3 PRO A 26 -2.337 2.884 3.376 1.00 3.34 H new ATOM 0 HG2 PRO A 26 -0.422 1.140 1.793 1.00 0.10 H new ATOM 0 HG3 PRO A 26 -0.465 1.422 3.522 1.00 0.10 H new ATOM 0 HD2 PRO A 26 -1.606 -0.817 2.256 1.00 35.31 H new ATOM 0 HD3 PRO A 26 -2.026 -0.275 3.869 1.00 35.31 H new ATOM 410 N ILE A 27 -3.820 2.574 -0.480 1.00 45.34 N ATOM 411 CA ILE A 27 -3.858 2.646 -1.943 1.00 12.02 C ATOM 412 C ILE A 27 -3.876 4.128 -2.321 1.00 0.10 C ATOM 413 O ILE A 27 -4.729 4.865 -1.826 1.00 33.40 O ATOM 414 CB ILE A 27 -5.124 1.911 -2.450 1.00 31.41 C ATOM 415 CG1 ILE A 27 -4.968 0.390 -2.237 1.00 21.32 C ATOM 416 CG2 ILE A 27 -5.441 2.230 -3.927 1.00 43.12 C ATOM 417 CD1 ILE A 27 -6.275 -0.385 -2.370 1.00 4.21 C ATOM 0 H ILE A 27 -4.395 3.294 -0.043 1.00 45.34 H new ATOM 0 HA ILE A 27 -2.993 2.166 -2.400 1.00 12.02 H new ATOM 0 HB ILE A 27 -5.971 2.272 -1.866 1.00 31.41 H new ATOM 0 HG12 ILE A 27 -4.251 0.002 -2.961 1.00 21.32 H new ATOM 0 HG13 ILE A 27 -4.549 0.212 -1.246 1.00 21.32 H new ATOM 0 HG21 ILE A 27 -6.337 1.690 -4.232 1.00 43.12 H new ATOM 0 HG22 ILE A 27 -5.607 3.301 -4.040 1.00 43.12 H new ATOM 0 HG23 ILE A 27 -4.603 1.925 -4.553 1.00 43.12 H new ATOM 0 HD11 ILE A 27 -6.087 -1.446 -2.208 1.00 4.21 H new ATOM 0 HD12 ILE A 27 -6.988 -0.025 -1.628 1.00 4.21 H new ATOM 0 HD13 ILE A 27 -6.685 -0.238 -3.369 1.00 4.21 H new ATOM 429 N CYS A 28 -2.984 4.567 -3.211 1.00 64.33 N ATOM 430 CA CYS A 28 -3.075 5.920 -3.737 1.00 33.23 C ATOM 431 C CYS A 28 -4.255 5.974 -4.703 1.00 32.20 C ATOM 432 O CYS A 28 -4.413 5.115 -5.575 1.00 0.50 O ATOM 433 CB CYS A 28 -1.779 6.343 -4.437 1.00 32.54 C ATOM 434 SG CYS A 28 -1.815 8.130 -4.767 1.00 3.33 S ATOM 0 H CYS A 28 -2.207 4.014 -3.574 1.00 64.33 H new ATOM 0 HA CYS A 28 -3.227 6.619 -2.915 1.00 33.23 H new ATOM 0 HB2 CYS A 28 -0.920 6.096 -3.813 1.00 32.54 H new ATOM 0 HB3 CYS A 28 -1.663 5.793 -5.371 1.00 32.54 H new ATOM 0 HG CYS A 28 -1.532 8.778 -3.676 1.00 3.33 H new ATOM 440 N MET A 29 -5.041 7.040 -4.596 1.00 61.11 N ATOM 441 CA MET A 29 -6.179 7.327 -5.446 1.00 40.24 C ATOM 442 C MET A 29 -5.784 7.421 -6.926 1.00 2.45 C ATOM 443 O MET A 29 -6.639 7.216 -7.787 1.00 44.32 O ATOM 444 CB MET A 29 -6.807 8.634 -4.939 1.00 2.02 C ATOM 445 CG MET A 29 -8.200 8.898 -5.504 1.00 61.43 C ATOM 446 SD MET A 29 -9.034 10.353 -4.820 1.00 34.43 S ATOM 447 CE MET A 29 -9.193 9.873 -3.081 1.00 34.54 C ATOM 0 H MET A 29 -4.892 7.754 -3.883 1.00 61.11 H new ATOM 0 HA MET A 29 -6.902 6.513 -5.392 1.00 40.24 H new ATOM 0 HB2 MET A 29 -6.865 8.602 -3.851 1.00 2.02 H new ATOM 0 HB3 MET A 29 -6.154 9.467 -5.199 1.00 2.02 H new ATOM 0 HG2 MET A 29 -8.122 9.016 -6.585 1.00 61.43 H new ATOM 0 HG3 MET A 29 -8.822 8.021 -5.323 1.00 61.43 H new ATOM 0 HE1 MET A 29 -10.209 10.073 -2.740 1.00 34.54 H new ATOM 0 HE2 MET A 29 -8.977 8.810 -2.976 1.00 34.54 H new ATOM 0 HE3 MET A 29 -8.489 10.447 -2.479 1.00 34.54 H new ATOM 457 N ASP A 30 -4.515 7.702 -7.245 1.00 24.42 N ATOM 458 CA ASP A 30 -4.046 7.892 -8.625 1.00 35.21 C ATOM 459 C ASP A 30 -3.647 6.566 -9.296 1.00 3.02 C ATOM 460 O ASP A 30 -3.028 6.576 -10.361 1.00 20.30 O ATOM 461 CB ASP A 30 -2.923 8.941 -8.700 1.00 3.01 C ATOM 462 CG ASP A 30 -2.858 9.629 -10.078 1.00 0.24 C ATOM 463 OD1 ASP A 30 -3.800 10.394 -10.398 1.00 60.33 O ATOM 464 OD2 ASP A 30 -1.861 9.465 -10.823 1.00 54.13 O ATOM 0 H ASP A 30 -3.778 7.805 -6.548 1.00 24.42 H new ATOM 0 HA ASP A 30 -4.889 8.281 -9.196 1.00 35.21 H new ATOM 0 HB2 ASP A 30 -3.079 9.694 -7.927 1.00 3.01 H new ATOM 0 HB3 ASP A 30 -1.967 8.462 -8.490 1.00 3.01 H new ATOM 469 N VAL A 31 -4.026 5.409 -8.741 1.00 13.23 N ATOM 470 CA VAL A 31 -3.796 4.112 -9.376 1.00 55.52 C ATOM 471 C VAL A 31 -5.123 3.555 -9.888 1.00 41.52 C ATOM 472 O VAL A 31 -5.818 2.856 -9.155 1.00 53.44 O ATOM 473 CB VAL A 31 -3.013 3.166 -8.441 1.00 23.24 C ATOM 474 CG1 VAL A 31 -2.543 1.932 -9.221 1.00 12.32 C ATOM 475 CG2 VAL A 31 -1.761 3.829 -7.848 1.00 20.53 C ATOM 0 H VAL A 31 -4.500 5.348 -7.840 1.00 13.23 H new ATOM 0 HA VAL A 31 -3.153 4.224 -10.249 1.00 55.52 H new ATOM 0 HB VAL A 31 -3.695 2.900 -7.633 1.00 23.24 H new ATOM 0 HG11 VAL A 31 -1.991 1.269 -8.555 1.00 12.32 H new ATOM 0 HG12 VAL A 31 -3.408 1.405 -9.623 1.00 12.32 H new ATOM 0 HG13 VAL A 31 -1.895 2.244 -10.040 1.00 12.32 H new ATOM 0 HG21 VAL A 31 -1.247 3.121 -7.198 1.00 20.53 H new ATOM 0 HG22 VAL A 31 -1.093 4.132 -8.654 1.00 20.53 H new ATOM 0 HG23 VAL A 31 -2.053 4.706 -7.270 1.00 20.53 H new ATOM 485 N ARG A 32 -5.489 3.861 -11.143 1.00 75.54 N ATOM 486 CA ARG A 32 -6.713 3.362 -11.781 1.00 12.32 C ATOM 487 C ARG A 32 -6.836 1.859 -11.651 1.00 33.43 C ATOM 488 O ARG A 32 -7.937 1.391 -11.381 1.00 61.52 O ATOM 489 CB ARG A 32 -6.770 3.702 -13.289 1.00 44.23 C ATOM 490 CG ARG A 32 -7.882 4.689 -13.669 1.00 23.32 C ATOM 491 CD ARG A 32 -7.387 6.109 -13.440 1.00 1.15 C ATOM 492 NE ARG A 32 -8.298 7.132 -13.954 1.00 44.35 N ATOM 493 CZ ARG A 32 -8.122 8.443 -13.760 1.00 33.33 C ATOM 494 NH1 ARG A 32 -7.151 8.892 -12.977 1.00 23.51 N ATOM 495 NH2 ARG A 32 -8.921 9.310 -14.350 1.00 42.53 N ATOM 0 H ARG A 32 -4.936 4.468 -11.748 1.00 75.54 H new ATOM 0 HA ARG A 32 -7.533 3.858 -11.261 1.00 12.32 H new ATOM 0 HB2 ARG A 32 -5.810 4.119 -13.593 1.00 44.23 H new ATOM 0 HB3 ARG A 32 -6.910 2.780 -13.853 1.00 44.23 H new ATOM 0 HG2 ARG A 32 -8.165 4.553 -14.713 1.00 23.32 H new ATOM 0 HG3 ARG A 32 -8.773 4.500 -13.070 1.00 23.32 H new ATOM 0 HD2 ARG A 32 -7.241 6.267 -12.371 1.00 1.15 H new ATOM 0 HD3 ARG A 32 -6.414 6.228 -13.916 1.00 1.15 H new ATOM 0 HE ARG A 32 -9.111 6.829 -14.489 1.00 44.35 H new ATOM 0 HH11 ARG A 32 -6.525 8.234 -12.512 1.00 23.51 H new ATOM 0 HH12 ARG A 32 -7.030 9.895 -12.839 1.00 23.51 H new ATOM 0 HH21 ARG A 32 -9.674 8.981 -14.955 1.00 42.53 H new ATOM 0 HH22 ARG A 32 -8.787 10.310 -14.202 1.00 42.53 H new ATOM 509 N ALA A 33 -5.752 1.113 -11.874 1.00 73.25 N ATOM 510 CA ALA A 33 -5.790 -0.341 -11.851 1.00 72.24 C ATOM 511 C ALA A 33 -6.391 -0.820 -10.531 1.00 74.15 C ATOM 512 O ALA A 33 -7.393 -1.538 -10.505 1.00 23.45 O ATOM 513 CB ALA A 33 -4.377 -0.898 -12.060 1.00 51.03 C ATOM 0 H ALA A 33 -4.831 1.502 -12.074 1.00 73.25 H new ATOM 0 HA ALA A 33 -6.420 -0.708 -12.661 1.00 72.24 H new ATOM 0 HB1 ALA A 33 -4.409 -1.987 -12.042 1.00 51.03 H new ATOM 0 HB2 ALA A 33 -3.992 -0.562 -13.023 1.00 51.03 H new ATOM 0 HB3 ALA A 33 -3.724 -0.541 -11.264 1.00 51.03 H new ATOM 519 N ILE A 34 -5.761 -0.396 -9.442 1.00 53.44 N ATOM 520 CA ILE A 34 -6.038 -0.815 -8.083 1.00 43.23 C ATOM 521 C ILE A 34 -7.386 -0.232 -7.644 1.00 11.55 C ATOM 522 O ILE A 34 -8.263 -0.976 -7.202 1.00 42.41 O ATOM 523 CB ILE A 34 -4.838 -0.430 -7.208 1.00 61.32 C ATOM 524 CG1 ILE A 34 -3.624 -1.200 -7.783 1.00 2.43 C ATOM 525 CG2 ILE A 34 -5.115 -0.801 -5.747 1.00 31.51 C ATOM 526 CD1 ILE A 34 -2.413 -1.189 -6.882 1.00 2.43 C ATOM 0 H ILE A 34 -5.004 0.286 -9.491 1.00 53.44 H new ATOM 0 HA ILE A 34 -6.148 -1.895 -7.988 1.00 43.23 H new ATOM 0 HB ILE A 34 -4.644 0.643 -7.221 1.00 61.32 H new ATOM 0 HG12 ILE A 34 -3.917 -2.233 -7.970 1.00 2.43 H new ATOM 0 HG13 ILE A 34 -3.353 -0.766 -8.745 1.00 2.43 H new ATOM 0 HG21 ILE A 34 -4.258 -0.524 -5.133 1.00 31.51 H new ATOM 0 HG22 ILE A 34 -5.999 -0.268 -5.398 1.00 31.51 H new ATOM 0 HG23 ILE A 34 -5.285 -1.875 -5.670 1.00 31.51 H new ATOM 0 HD11 ILE A 34 -1.604 -1.748 -7.353 1.00 2.43 H new ATOM 0 HD12 ILE A 34 -2.093 -0.160 -6.715 1.00 2.43 H new ATOM 0 HD13 ILE A 34 -2.666 -1.650 -5.927 1.00 2.43 H new ATOM 538 N MET A 35 -7.570 1.083 -7.803 1.00 43.12 N ATOM 539 CA MET A 35 -8.786 1.822 -7.481 1.00 71.42 C ATOM 540 C MET A 35 -10.001 1.134 -8.112 1.00 33.24 C ATOM 541 O MET A 35 -11.003 0.889 -7.430 1.00 31.43 O ATOM 542 CB MET A 35 -8.617 3.269 -7.983 1.00 54.12 C ATOM 543 CG MET A 35 -9.791 4.196 -7.657 1.00 62.45 C ATOM 544 SD MET A 35 -9.574 5.355 -6.279 1.00 12.32 S ATOM 545 CE MET A 35 -9.123 4.268 -4.902 1.00 41.32 C ATOM 0 H MET A 35 -6.837 1.686 -8.178 1.00 43.12 H new ATOM 0 HA MET A 35 -8.955 1.841 -6.404 1.00 71.42 H new ATOM 0 HB2 MET A 35 -7.709 3.687 -7.548 1.00 54.12 H new ATOM 0 HB3 MET A 35 -8.474 3.251 -9.063 1.00 54.12 H new ATOM 0 HG2 MET A 35 -10.023 4.774 -8.551 1.00 62.45 H new ATOM 0 HG3 MET A 35 -10.662 3.576 -7.443 1.00 62.45 H new ATOM 0 HE1 MET A 35 -9.275 4.793 -3.959 1.00 41.32 H new ATOM 0 HE2 MET A 35 -9.747 3.374 -4.925 1.00 41.32 H new ATOM 0 HE3 MET A 35 -8.075 3.982 -4.993 1.00 41.32 H new ATOM 555 N ALA A 36 -9.905 0.767 -9.391 1.00 14.50 N ATOM 556 CA ALA A 36 -10.988 0.108 -10.090 1.00 24.41 C ATOM 557 C ALA A 36 -11.227 -1.294 -9.540 1.00 24.42 C ATOM 558 O ALA A 36 -12.378 -1.709 -9.452 1.00 3.40 O ATOM 559 CB ALA A 36 -10.704 0.053 -11.588 1.00 24.30 C ATOM 0 H ALA A 36 -9.074 0.921 -9.962 1.00 14.50 H new ATOM 0 HA ALA A 36 -11.895 0.691 -9.929 1.00 24.41 H new ATOM 0 HB1 ALA A 36 -11.529 -0.446 -12.097 1.00 24.30 H new ATOM 0 HB2 ALA A 36 -10.598 1.066 -11.976 1.00 24.30 H new ATOM 0 HB3 ALA A 36 -9.782 -0.501 -11.763 1.00 24.30 H new ATOM 565 N THR A 37 -10.193 -2.050 -9.157 1.00 4.41 N ATOM 566 CA THR A 37 -10.396 -3.357 -8.540 1.00 21.25 C ATOM 567 C THR A 37 -11.188 -3.245 -7.230 1.00 4.01 C ATOM 568 O THR A 37 -11.991 -4.144 -6.945 1.00 74.23 O ATOM 569 CB THR A 37 -9.049 -4.082 -8.357 1.00 53.03 C ATOM 570 OG1 THR A 37 -8.496 -4.397 -9.623 1.00 22.51 O ATOM 571 CG2 THR A 37 -9.201 -5.384 -7.560 1.00 12.44 C ATOM 0 H THR A 37 -9.216 -1.779 -9.264 1.00 4.41 H new ATOM 0 HA THR A 37 -11.003 -3.965 -9.211 1.00 21.25 H new ATOM 0 HB THR A 37 -8.395 -3.408 -7.804 1.00 53.03 H new ATOM 0 HG1 THR A 37 -8.112 -3.589 -10.022 1.00 22.51 H new ATOM 0 HG21 THR A 37 -8.227 -5.862 -7.455 1.00 12.44 H new ATOM 0 HG22 THR A 37 -9.604 -5.161 -6.572 1.00 12.44 H new ATOM 0 HG23 THR A 37 -9.880 -6.055 -8.086 1.00 12.44 H new ATOM 579 N ILE A 38 -11.012 -2.163 -6.462 1.00 34.45 N ATOM 580 CA ILE A 38 -11.917 -1.842 -5.378 1.00 71.31 C ATOM 581 C ILE A 38 -13.318 -1.604 -5.951 1.00 24.11 C ATOM 582 O ILE A 38 -14.200 -2.399 -5.644 1.00 4.04 O ATOM 583 CB ILE A 38 -11.346 -0.739 -4.452 1.00 11.51 C ATOM 584 CG1 ILE A 38 -10.253 -1.317 -3.527 1.00 22.21 C ATOM 585 CG2 ILE A 38 -12.416 -0.079 -3.557 1.00 34.13 C ATOM 586 CD1 ILE A 38 -8.912 -1.641 -4.168 1.00 20.12 C ATOM 0 H ILE A 38 -10.246 -1.500 -6.580 1.00 34.45 H new ATOM 0 HA ILE A 38 -12.020 -2.684 -4.694 1.00 71.31 H new ATOM 0 HB ILE A 38 -10.938 0.019 -5.121 1.00 11.51 H new ATOM 0 HG12 ILE A 38 -10.080 -0.605 -2.720 1.00 22.21 H new ATOM 0 HG13 ILE A 38 -10.641 -2.228 -3.071 1.00 22.21 H new ATOM 0 HG21 ILE A 38 -11.949 0.684 -2.934 1.00 34.13 H new ATOM 0 HG22 ILE A 38 -13.180 0.382 -4.183 1.00 34.13 H new ATOM 0 HG23 ILE A 38 -12.875 -0.836 -2.921 1.00 34.13 H new ATOM 0 HD11 ILE A 38 -8.234 -2.039 -3.413 1.00 20.12 H new ATOM 0 HD12 ILE A 38 -9.054 -2.382 -4.954 1.00 20.12 H new ATOM 0 HD13 ILE A 38 -8.485 -0.734 -4.597 1.00 20.12 H new ATOM 598 N GLN A 39 -13.532 -0.579 -6.782 1.00 22.35 N ATOM 599 CA GLN A 39 -14.874 -0.129 -7.181 1.00 42.23 C ATOM 600 C GLN A 39 -15.687 -1.190 -7.954 1.00 41.01 C ATOM 601 O GLN A 39 -16.922 -1.179 -7.929 1.00 35.51 O ATOM 602 CB GLN A 39 -14.743 1.186 -7.974 1.00 23.10 C ATOM 603 CG GLN A 39 -14.436 2.371 -7.038 1.00 13.23 C ATOM 604 CD GLN A 39 -14.383 3.713 -7.773 1.00 62.23 C ATOM 605 OE1 GLN A 39 -15.330 4.124 -8.440 1.00 34.21 O ATOM 606 NE2 GLN A 39 -13.285 4.442 -7.683 1.00 43.01 N ATOM 0 H GLN A 39 -12.778 -0.034 -7.200 1.00 22.35 H new ATOM 0 HA GLN A 39 -15.450 0.042 -6.272 1.00 42.23 H new ATOM 0 HB2 GLN A 39 -13.950 1.089 -8.715 1.00 23.10 H new ATOM 0 HB3 GLN A 39 -15.667 1.379 -8.519 1.00 23.10 H new ATOM 0 HG2 GLN A 39 -15.197 2.419 -6.259 1.00 13.23 H new ATOM 0 HG3 GLN A 39 -13.482 2.197 -6.541 1.00 13.23 H new ATOM 0 HE21 GLN A 39 -12.495 4.108 -7.131 1.00 43.01 H new ATOM 0 HE22 GLN A 39 -13.227 5.339 -8.165 1.00 43.01 H new ATOM 615 N ARG A 40 -15.014 -2.125 -8.629 1.00 32.31 N ATOM 616 CA ARG A 40 -15.596 -3.305 -9.268 1.00 74.34 C ATOM 617 C ARG A 40 -16.183 -4.260 -8.235 1.00 72.11 C ATOM 618 O ARG A 40 -17.239 -4.850 -8.454 1.00 12.21 O ATOM 619 CB ARG A 40 -14.486 -4.049 -10.033 1.00 55.21 C ATOM 620 CG ARG A 40 -14.076 -3.391 -11.361 1.00 32.30 C ATOM 621 CD ARG A 40 -14.633 -4.142 -12.570 1.00 55.45 C ATOM 622 NE ARG A 40 -16.061 -3.879 -12.806 1.00 13.20 N ATOM 623 CZ ARG A 40 -16.764 -4.409 -13.814 1.00 53.24 C ATOM 624 NH1 ARG A 40 -16.307 -5.455 -14.497 1.00 41.11 N ATOM 625 NH2 ARG A 40 -17.924 -3.865 -14.152 1.00 52.53 N ATOM 0 H ARG A 40 -14.002 -2.077 -8.750 1.00 32.31 H new ATOM 0 HA ARG A 40 -16.391 -2.977 -9.937 1.00 74.34 H new ATOM 0 HB2 ARG A 40 -13.607 -4.123 -9.392 1.00 55.21 H new ATOM 0 HB3 ARG A 40 -14.820 -5.067 -10.234 1.00 55.21 H new ATOM 0 HG2 ARG A 40 -14.431 -2.361 -11.380 1.00 32.30 H new ATOM 0 HG3 ARG A 40 -12.989 -3.355 -11.427 1.00 32.30 H new ATOM 0 HD2 ARG A 40 -14.066 -3.860 -13.458 1.00 55.45 H new ATOM 0 HD3 ARG A 40 -14.486 -5.212 -12.424 1.00 55.45 H new ATOM 0 HE ARG A 40 -16.545 -3.254 -12.162 1.00 13.20 H new ATOM 0 HH11 ARG A 40 -15.406 -5.867 -14.256 1.00 41.11 H new ATOM 0 HH12 ARG A 40 -16.858 -5.845 -15.262 1.00 41.11 H new ATOM 0 HH21 ARG A 40 -18.272 -3.051 -13.646 1.00 52.53 H new ATOM 0 HH22 ARG A 40 -18.469 -4.260 -14.919 1.00 52.53 H new ATOM 639 N LYS A 41 -15.439 -4.509 -7.161 1.00 63.33 N ATOM 640 CA LYS A 41 -15.733 -5.519 -6.154 1.00 4.43 C ATOM 641 C LYS A 41 -16.638 -4.909 -5.092 1.00 34.20 C ATOM 642 O LYS A 41 -17.794 -5.316 -4.959 1.00 62.11 O ATOM 643 CB LYS A 41 -14.381 -6.018 -5.615 1.00 11.42 C ATOM 644 CG LYS A 41 -14.360 -7.325 -4.812 1.00 20.32 C ATOM 645 CD LYS A 41 -14.850 -7.248 -3.355 1.00 74.21 C ATOM 646 CE LYS A 41 -14.148 -8.295 -2.456 1.00 53.23 C ATOM 647 NZ LYS A 41 -14.894 -9.559 -2.261 1.00 4.42 N ATOM 0 H LYS A 41 -14.582 -3.992 -6.962 1.00 63.33 H new ATOM 0 HA LYS A 41 -16.275 -6.377 -6.551 1.00 4.43 H new ATOM 0 HB2 LYS A 41 -13.708 -6.138 -6.464 1.00 11.42 H new ATOM 0 HB3 LYS A 41 -13.963 -5.233 -4.985 1.00 11.42 H new ATOM 0 HG2 LYS A 41 -14.971 -8.058 -5.338 1.00 20.32 H new ATOM 0 HG3 LYS A 41 -13.339 -7.706 -4.808 1.00 20.32 H new ATOM 0 HD2 LYS A 41 -14.665 -6.249 -2.962 1.00 74.21 H new ATOM 0 HD3 LYS A 41 -15.928 -7.408 -3.325 1.00 74.21 H new ATOM 0 HE2 LYS A 41 -13.175 -8.529 -2.889 1.00 53.23 H new ATOM 0 HE3 LYS A 41 -13.963 -7.847 -1.480 1.00 53.23 H new ATOM 0 HZ1 LYS A 41 -14.346 -10.195 -1.647 1.00 4.42 H new ATOM 0 HZ2 LYS A 41 -15.812 -9.355 -1.817 1.00 4.42 H new ATOM 0 HZ3 LYS A 41 -15.049 -10.016 -3.182 1.00 4.42 H new ATOM 661 N TYR A 42 -16.110 -3.962 -4.327 1.00 32.53 N ATOM 662 CA TYR A 42 -16.795 -3.265 -3.265 1.00 11.44 C ATOM 663 C TYR A 42 -17.580 -2.128 -3.909 1.00 60.13 C ATOM 664 O TYR A 42 -17.008 -1.310 -4.629 1.00 0.41 O ATOM 665 CB TYR A 42 -15.780 -2.697 -2.262 1.00 64.44 C ATOM 666 CG TYR A 42 -14.704 -3.664 -1.802 1.00 1.41 C ATOM 667 CD1 TYR A 42 -14.917 -4.586 -0.758 1.00 60.44 C ATOM 668 CD2 TYR A 42 -13.467 -3.631 -2.462 1.00 51.35 C ATOM 669 CE1 TYR A 42 -13.895 -5.494 -0.412 1.00 32.32 C ATOM 670 CE2 TYR A 42 -12.443 -4.520 -2.119 1.00 23.20 C ATOM 671 CZ TYR A 42 -12.654 -5.464 -1.097 1.00 32.15 C ATOM 672 OH TYR A 42 -11.659 -6.345 -0.826 1.00 52.52 O ATOM 0 H TYR A 42 -15.146 -3.650 -4.442 1.00 32.53 H new ATOM 0 HA TYR A 42 -17.458 -3.941 -2.725 1.00 11.44 H new ATOM 0 HB2 TYR A 42 -15.296 -1.830 -2.713 1.00 64.44 H new ATOM 0 HB3 TYR A 42 -16.322 -2.340 -1.386 1.00 64.44 H new ATOM 0 HD1 TYR A 42 -15.857 -4.597 -0.226 1.00 60.44 H new ATOM 0 HD2 TYR A 42 -13.303 -2.908 -3.247 1.00 51.35 H new ATOM 0 HE1 TYR A 42 -14.058 -6.214 0.376 1.00 32.32 H new ATOM 0 HE2 TYR A 42 -11.495 -4.482 -2.636 1.00 23.20 H new ATOM 0 HH TYR A 42 -12.045 -7.226 -0.636 1.00 52.52 H new ATOM 682 N LYS A 43 -18.882 -2.061 -3.643 1.00 63.41 N ATOM 683 CA LYS A 43 -19.756 -0.990 -4.105 1.00 23.33 C ATOM 684 C LYS A 43 -20.311 -0.140 -2.969 1.00 55.23 C ATOM 685 O LYS A 43 -20.586 1.038 -3.182 1.00 14.30 O ATOM 686 CB LYS A 43 -20.828 -1.589 -5.007 1.00 32.50 C ATOM 687 CG LYS A 43 -21.826 -2.535 -4.311 1.00 13.00 C ATOM 688 CD LYS A 43 -22.108 -3.753 -5.198 1.00 54.22 C ATOM 689 CE LYS A 43 -20.902 -4.705 -5.356 1.00 0.30 C ATOM 690 NZ LYS A 43 -20.694 -5.594 -4.193 1.00 63.31 N ATOM 0 H LYS A 43 -19.368 -2.766 -3.088 1.00 63.41 H new ATOM 0 HA LYS A 43 -19.173 -0.280 -4.691 1.00 23.33 H new ATOM 0 HB2 LYS A 43 -21.387 -0.775 -5.468 1.00 32.50 H new ATOM 0 HB3 LYS A 43 -20.337 -2.135 -5.812 1.00 32.50 H new ATOM 0 HG2 LYS A 43 -21.422 -2.860 -3.352 1.00 13.00 H new ATOM 0 HG3 LYS A 43 -22.755 -2.005 -4.102 1.00 13.00 H new ATOM 0 HD2 LYS A 43 -22.945 -4.310 -4.778 1.00 54.22 H new ATOM 0 HD3 LYS A 43 -22.418 -3.408 -6.184 1.00 54.22 H new ATOM 0 HE2 LYS A 43 -21.045 -5.315 -6.248 1.00 0.30 H new ATOM 0 HE3 LYS A 43 -20.001 -4.113 -5.516 1.00 0.30 H new ATOM 0 HZ1 LYS A 43 -19.680 -5.801 -4.091 1.00 63.31 H new ATOM 0 HZ2 LYS A 43 -21.040 -5.125 -3.331 1.00 63.31 H new ATOM 0 HZ3 LYS A 43 -21.216 -6.482 -4.337 1.00 63.31 H new ATOM 704 N GLY A 44 -20.404 -0.662 -1.744 1.00 13.41 N ATOM 705 CA GLY A 44 -20.819 0.116 -0.575 1.00 13.32 C ATOM 706 C GLY A 44 -19.688 0.957 0.013 1.00 21.11 C ATOM 707 O GLY A 44 -19.605 1.100 1.226 1.00 60.34 O ATOM 0 H GLY A 44 -20.193 -1.638 -1.535 1.00 13.41 H new ATOM 0 HA2 GLY A 44 -21.644 0.771 -0.855 1.00 13.32 H new ATOM 0 HA3 GLY A 44 -21.196 -0.562 0.191 1.00 13.32 H new ATOM 711 N ILE A 45 -18.797 1.478 -0.830 1.00 33.10 N ATOM 712 CA ILE A 45 -17.637 2.275 -0.456 1.00 72.12 C ATOM 713 C ILE A 45 -17.763 3.635 -1.142 1.00 63.54 C ATOM 714 O ILE A 45 -18.385 3.751 -2.208 1.00 33.12 O ATOM 715 CB ILE A 45 -16.341 1.489 -0.779 1.00 20.44 C ATOM 716 CG1 ILE A 45 -15.028 2.259 -0.510 1.00 41.35 C ATOM 717 CG2 ILE A 45 -16.344 0.854 -2.180 1.00 62.24 C ATOM 718 CD1 ILE A 45 -14.467 3.070 -1.684 1.00 62.23 C ATOM 0 H ILE A 45 -18.871 1.348 -1.839 1.00 33.10 H new ATOM 0 HA ILE A 45 -17.587 2.468 0.616 1.00 72.12 H new ATOM 0 HB ILE A 45 -16.356 0.676 -0.054 1.00 20.44 H new ATOM 0 HG12 ILE A 45 -15.194 2.937 0.327 1.00 41.35 H new ATOM 0 HG13 ILE A 45 -14.269 1.543 -0.194 1.00 41.35 H new ATOM 0 HG21 ILE A 45 -15.407 0.320 -2.339 1.00 62.24 H new ATOM 0 HG22 ILE A 45 -17.178 0.157 -2.262 1.00 62.24 H new ATOM 0 HG23 ILE A 45 -16.449 1.635 -2.933 1.00 62.24 H new ATOM 0 HD11 ILE A 45 -13.546 3.566 -1.377 1.00 62.23 H new ATOM 0 HD12 ILE A 45 -14.258 2.403 -2.520 1.00 62.23 H new ATOM 0 HD13 ILE A 45 -15.197 3.819 -1.991 1.00 62.23 H new ATOM 730 N LYS A 46 -17.163 4.656 -0.534 1.00 35.12 N ATOM 731 CA LYS A 46 -17.182 6.044 -0.971 1.00 64.41 C ATOM 732 C LYS A 46 -15.750 6.545 -0.973 1.00 4.25 C ATOM 733 O LYS A 46 -15.085 6.505 0.063 1.00 71.52 O ATOM 734 CB LYS A 46 -18.080 6.839 -0.022 1.00 34.33 C ATOM 735 CG LYS A 46 -18.111 8.345 -0.321 1.00 41.12 C ATOM 736 CD LYS A 46 -17.097 9.205 0.458 1.00 14.11 C ATOM 737 CE LYS A 46 -17.628 10.638 0.580 1.00 53.42 C ATOM 738 NZ LYS A 46 -16.659 11.543 1.225 1.00 40.22 N ATOM 0 H LYS A 46 -16.623 4.527 0.322 1.00 35.12 H new ATOM 0 HA LYS A 46 -17.587 6.157 -1.977 1.00 64.41 H new ATOM 0 HB2 LYS A 46 -19.095 6.445 -0.080 1.00 34.33 H new ATOM 0 HB3 LYS A 46 -17.737 6.687 1.001 1.00 34.33 H new ATOM 0 HG2 LYS A 46 -17.936 8.488 -1.387 1.00 41.12 H new ATOM 0 HG3 LYS A 46 -19.113 8.718 -0.109 1.00 41.12 H new ATOM 0 HD2 LYS A 46 -16.931 8.782 1.449 1.00 14.11 H new ATOM 0 HD3 LYS A 46 -16.135 9.205 -0.054 1.00 14.11 H new ATOM 0 HE2 LYS A 46 -17.871 11.018 -0.412 1.00 53.42 H new ATOM 0 HE3 LYS A 46 -18.554 10.632 1.155 1.00 53.42 H new ATOM 0 HZ1 LYS A 46 -17.160 12.364 1.620 1.00 40.22 H new ATOM 0 HZ2 LYS A 46 -16.167 11.037 1.989 1.00 40.22 H new ATOM 0 HZ3 LYS A 46 -15.965 11.867 0.521 1.00 40.22 H new ATOM 752 N ILE A 47 -15.280 6.999 -2.131 1.00 22.15 N ATOM 753 CA ILE A 47 -13.905 7.432 -2.336 1.00 23.10 C ATOM 754 C ILE A 47 -13.746 8.805 -1.680 1.00 22.40 C ATOM 755 O ILE A 47 -14.505 9.723 -2.001 1.00 12.20 O ATOM 756 CB ILE A 47 -13.582 7.485 -3.853 1.00 11.33 C ATOM 757 CG1 ILE A 47 -13.880 6.165 -4.602 1.00 71.34 C ATOM 758 CG2 ILE A 47 -12.127 7.918 -4.107 1.00 60.13 C ATOM 759 CD1 ILE A 47 -12.975 4.986 -4.223 1.00 0.13 C ATOM 0 H ILE A 47 -15.857 7.077 -2.968 1.00 22.15 H new ATOM 0 HA ILE A 47 -13.205 6.730 -1.884 1.00 23.10 H new ATOM 0 HB ILE A 47 -14.258 8.237 -4.260 1.00 11.33 H new ATOM 0 HG12 ILE A 47 -14.916 5.884 -4.413 1.00 71.34 H new ATOM 0 HG13 ILE A 47 -13.788 6.344 -5.673 1.00 71.34 H new ATOM 0 HG21 ILE A 47 -11.937 7.944 -5.180 1.00 60.13 H new ATOM 0 HG22 ILE A 47 -11.964 8.910 -3.686 1.00 60.13 H new ATOM 0 HG23 ILE A 47 -11.448 7.207 -3.635 1.00 60.13 H new ATOM 0 HD11 ILE A 47 -13.262 4.107 -4.801 1.00 0.13 H new ATOM 0 HD12 ILE A 47 -11.937 5.240 -4.439 1.00 0.13 H new ATOM 0 HD13 ILE A 47 -13.082 4.772 -3.160 1.00 0.13 H new ATOM 771 N GLN A 48 -12.758 8.952 -0.803 1.00 23.34 N ATOM 772 CA GLN A 48 -12.207 10.231 -0.375 1.00 63.32 C ATOM 773 C GLN A 48 -10.702 10.082 -0.126 1.00 13.42 C ATOM 774 O GLN A 48 -10.172 8.975 -0.200 1.00 33.50 O ATOM 775 CB GLN A 48 -12.985 10.772 0.841 1.00 62.11 C ATOM 776 CG GLN A 48 -13.009 9.835 2.058 1.00 12.10 C ATOM 777 CD GLN A 48 -13.785 10.430 3.224 1.00 41.33 C ATOM 778 OE1 GLN A 48 -15.004 10.566 3.160 1.00 4.30 O ATOM 779 NE2 GLN A 48 -13.103 10.818 4.286 1.00 12.23 N ATOM 0 H GLN A 48 -12.304 8.156 -0.356 1.00 23.34 H new ATOM 0 HA GLN A 48 -12.325 10.977 -1.161 1.00 63.32 H new ATOM 0 HB2 GLN A 48 -12.547 11.724 1.141 1.00 62.11 H new ATOM 0 HB3 GLN A 48 -14.012 10.976 0.537 1.00 62.11 H new ATOM 0 HG2 GLN A 48 -13.457 8.883 1.773 1.00 12.10 H new ATOM 0 HG3 GLN A 48 -11.987 9.625 2.373 1.00 12.10 H new ATOM 0 HE21 GLN A 48 -12.091 10.694 4.315 1.00 12.23 H new ATOM 0 HE22 GLN A 48 -13.588 11.241 5.077 1.00 12.23 H new ATOM 788 N GLU A 49 -9.987 11.163 0.178 1.00 33.11 N ATOM 789 CA GLU A 49 -8.561 11.129 0.534 1.00 60.11 C ATOM 790 C GLU A 49 -8.344 10.694 2.006 1.00 53.31 C ATOM 791 O GLU A 49 -7.432 11.164 2.693 1.00 12.22 O ATOM 792 CB GLU A 49 -7.873 12.455 0.137 1.00 2.40 C ATOM 793 CG GLU A 49 -8.615 13.716 0.601 1.00 3.24 C ATOM 794 CD GLU A 49 -7.928 15.049 0.282 1.00 53.31 C ATOM 795 OE1 GLU A 49 -7.286 15.221 -0.786 1.00 33.34 O ATOM 796 OE2 GLU A 49 -8.144 15.996 1.073 1.00 1.35 O ATOM 0 H GLU A 49 -10.383 12.103 0.185 1.00 33.11 H new ATOM 0 HA GLU A 49 -8.064 10.353 -0.048 1.00 60.11 H new ATOM 0 HB2 GLU A 49 -6.866 12.467 0.553 1.00 2.40 H new ATOM 0 HB3 GLU A 49 -7.770 12.487 -0.948 1.00 2.40 H new ATOM 0 HG2 GLU A 49 -9.605 13.721 0.145 1.00 3.24 H new ATOM 0 HG3 GLU A 49 -8.761 13.653 1.679 1.00 3.24 H new ATOM 803 N GLY A 50 -9.207 9.794 2.492 1.00 4.44 N ATOM 804 CA GLY A 50 -9.294 9.334 3.867 1.00 61.53 C ATOM 805 C GLY A 50 -9.280 7.813 3.987 1.00 35.11 C ATOM 806 O GLY A 50 -9.300 7.065 3.005 1.00 64.32 O ATOM 0 H GLY A 50 -9.901 9.346 1.894 1.00 4.44 H new ATOM 0 HA2 GLY A 50 -8.460 9.746 4.436 1.00 61.53 H new ATOM 0 HA3 GLY A 50 -10.209 9.720 4.317 1.00 61.53 H new ATOM 810 N ILE A 51 -9.325 7.352 5.233 1.00 11.03 N ATOM 811 CA ILE A 51 -9.655 5.975 5.574 1.00 22.33 C ATOM 812 C ILE A 51 -11.073 5.671 5.084 1.00 53.42 C ATOM 813 O ILE A 51 -11.916 6.567 5.003 1.00 11.22 O ATOM 814 CB ILE A 51 -9.534 5.801 7.107 1.00 23.50 C ATOM 815 CG1 ILE A 51 -8.086 5.992 7.609 1.00 63.53 C ATOM 816 CG2 ILE A 51 -10.086 4.457 7.601 1.00 33.54 C ATOM 817 CD1 ILE A 51 -7.144 4.829 7.277 1.00 12.25 C ATOM 0 H ILE A 51 -9.130 7.935 6.047 1.00 11.03 H new ATOM 0 HA ILE A 51 -8.970 5.276 5.093 1.00 22.33 H new ATOM 0 HB ILE A 51 -10.152 6.592 7.532 1.00 23.50 H new ATOM 0 HG12 ILE A 51 -7.681 6.907 7.176 1.00 63.53 H new ATOM 0 HG13 ILE A 51 -8.104 6.132 8.690 1.00 63.53 H new ATOM 0 HG21 ILE A 51 -9.973 4.393 8.683 1.00 33.54 H new ATOM 0 HG22 ILE A 51 -11.142 4.379 7.341 1.00 33.54 H new ATOM 0 HG23 ILE A 51 -9.535 3.642 7.130 1.00 33.54 H new ATOM 0 HD11 ILE A 51 -6.149 5.045 7.665 1.00 12.25 H new ATOM 0 HD12 ILE A 51 -7.521 3.914 7.733 1.00 12.25 H new ATOM 0 HD13 ILE A 51 -7.092 4.700 6.196 1.00 12.25 H new ATOM 829 N VAL A 52 -11.357 4.395 4.848 1.00 32.13 N ATOM 830 CA VAL A 52 -12.699 3.837 4.807 1.00 52.11 C ATOM 831 C VAL A 52 -12.709 2.626 5.756 1.00 41.24 C ATOM 832 O VAL A 52 -11.661 2.120 6.160 1.00 74.33 O ATOM 833 CB VAL A 52 -13.103 3.517 3.341 1.00 42.11 C ATOM 834 CG1 VAL A 52 -12.773 4.680 2.391 1.00 33.43 C ATOM 835 CG2 VAL A 52 -12.483 2.217 2.821 1.00 11.14 C ATOM 0 H VAL A 52 -10.632 3.699 4.674 1.00 32.13 H new ATOM 0 HA VAL A 52 -13.457 4.540 5.152 1.00 52.11 H new ATOM 0 HB VAL A 52 -14.184 3.378 3.358 1.00 42.11 H new ATOM 0 HG11 VAL A 52 -13.071 4.416 1.376 1.00 33.43 H new ATOM 0 HG12 VAL A 52 -13.313 5.573 2.707 1.00 33.43 H new ATOM 0 HG13 VAL A 52 -11.701 4.877 2.415 1.00 33.43 H new ATOM 0 HG21 VAL A 52 -12.802 2.048 1.793 1.00 11.14 H new ATOM 0 HG22 VAL A 52 -11.396 2.293 2.856 1.00 11.14 H new ATOM 0 HG23 VAL A 52 -12.809 1.384 3.444 1.00 11.14 H new ATOM 845 N ASP A 53 -13.885 2.107 6.070 1.00 24.31 N ATOM 846 CA ASP A 53 -14.136 0.892 6.846 1.00 13.23 C ATOM 847 C ASP A 53 -15.074 -0.007 6.043 1.00 1.40 C ATOM 848 O ASP A 53 -16.192 -0.320 6.470 1.00 35.31 O ATOM 849 CB ASP A 53 -14.787 1.228 8.212 1.00 43.32 C ATOM 850 CG ASP A 53 -16.077 2.066 8.110 1.00 61.14 C ATOM 851 OD1 ASP A 53 -16.012 3.185 7.544 1.00 44.23 O ATOM 852 OD2 ASP A 53 -17.149 1.653 8.614 1.00 63.51 O ATOM 0 H ASP A 53 -14.753 2.551 5.771 1.00 24.31 H new ATOM 0 HA ASP A 53 -13.189 0.388 7.038 1.00 13.23 H new ATOM 0 HB2 ASP A 53 -15.012 0.297 8.733 1.00 43.32 H new ATOM 0 HB3 ASP A 53 -14.064 1.768 8.823 1.00 43.32 H new ATOM 857 N TYR A 54 -14.617 -0.435 4.868 1.00 11.04 N ATOM 858 CA TYR A 54 -15.402 -1.236 3.969 1.00 1.42 C ATOM 859 C TYR A 54 -14.501 -2.252 3.280 1.00 44.55 C ATOM 860 O TYR A 54 -13.500 -1.899 2.650 1.00 61.35 O ATOM 861 CB TYR A 54 -16.159 -0.338 2.999 1.00 0.53 C ATOM 862 CG TYR A 54 -17.384 -1.030 2.474 1.00 41.21 C ATOM 863 CD1 TYR A 54 -18.529 -1.131 3.284 1.00 63.24 C ATOM 864 CD2 TYR A 54 -17.375 -1.609 1.199 1.00 13.30 C ATOM 865 CE1 TYR A 54 -19.674 -1.793 2.810 1.00 0.33 C ATOM 866 CE2 TYR A 54 -18.520 -2.254 0.709 1.00 55.41 C ATOM 867 CZ TYR A 54 -19.683 -2.332 1.508 1.00 32.32 C ATOM 868 OH TYR A 54 -20.780 -2.980 1.031 1.00 21.22 O ATOM 0 H TYR A 54 -13.680 -0.226 4.522 1.00 11.04 H new ATOM 0 HA TYR A 54 -16.157 -1.801 4.515 1.00 1.42 H new ATOM 0 HB2 TYR A 54 -16.445 0.586 3.501 1.00 0.53 H new ATOM 0 HB3 TYR A 54 -15.508 -0.062 2.169 1.00 0.53 H new ATOM 0 HD1 TYR A 54 -18.528 -0.698 4.274 1.00 63.24 H new ATOM 0 HD2 TYR A 54 -16.484 -1.559 0.591 1.00 13.30 H new ATOM 0 HE1 TYR A 54 -20.545 -1.889 3.442 1.00 0.33 H new ATOM 0 HE2 TYR A 54 -18.513 -2.691 -0.279 1.00 55.41 H new ATOM 0 HH TYR A 54 -20.608 -3.284 0.115 1.00 21.22 H new ATOM 878 N GLY A 55 -14.815 -3.524 3.486 1.00 34.43 N ATOM 879 CA GLY A 55 -14.007 -4.662 3.099 1.00 3.13 C ATOM 880 C GLY A 55 -12.886 -4.854 4.106 1.00 53.15 C ATOM 881 O GLY A 55 -13.048 -5.508 5.133 1.00 12.10 O ATOM 0 H GLY A 55 -15.681 -3.798 3.949 1.00 34.43 H new ATOM 0 HA2 GLY A 55 -14.624 -5.559 3.050 1.00 3.13 H new ATOM 0 HA3 GLY A 55 -13.593 -4.505 2.103 1.00 3.13 H new ATOM 885 N VAL A 56 -11.806 -4.119 3.890 1.00 13.40 N ATOM 886 CA VAL A 56 -10.498 -4.298 4.517 1.00 65.31 C ATOM 887 C VAL A 56 -9.986 -2.976 5.109 1.00 20.41 C ATOM 888 O VAL A 56 -8.786 -2.751 5.212 1.00 73.35 O ATOM 889 CB VAL A 56 -9.546 -4.974 3.498 1.00 34.32 C ATOM 890 CG1 VAL A 56 -9.545 -4.416 2.118 1.00 24.11 C ATOM 891 CG2 VAL A 56 -8.091 -5.149 3.927 1.00 73.54 C ATOM 0 H VAL A 56 -11.816 -3.336 3.236 1.00 13.40 H new ATOM 0 HA VAL A 56 -10.562 -4.967 5.375 1.00 65.31 H new ATOM 0 HB VAL A 56 -10.023 -5.954 3.482 1.00 34.32 H new ATOM 0 HG11 VAL A 56 -8.840 -4.973 1.501 1.00 24.11 H new ATOM 0 HG12 VAL A 56 -10.545 -4.499 1.691 1.00 24.11 H new ATOM 0 HG13 VAL A 56 -9.250 -3.367 2.150 1.00 24.11 H new ATOM 0 HG21 VAL A 56 -7.531 -5.633 3.127 1.00 73.54 H new ATOM 0 HG22 VAL A 56 -7.653 -4.173 4.136 1.00 73.54 H new ATOM 0 HG23 VAL A 56 -8.048 -5.766 4.825 1.00 73.54 H new ATOM 901 N ARG A 57 -10.895 -2.069 5.476 1.00 43.24 N ATOM 902 CA ARG A 57 -10.568 -0.762 6.031 1.00 54.33 C ATOM 903 C ARG A 57 -9.430 -0.069 5.271 1.00 51.14 C ATOM 904 O ARG A 57 -8.364 0.177 5.817 1.00 25.15 O ATOM 905 CB ARG A 57 -10.448 -0.774 7.574 1.00 12.14 C ATOM 906 CG ARG A 57 -9.603 -1.928 8.130 1.00 41.12 C ATOM 907 CD ARG A 57 -9.414 -1.941 9.651 1.00 65.44 C ATOM 908 NE ARG A 57 -10.634 -2.347 10.371 1.00 12.23 N ATOM 909 CZ ARG A 57 -10.961 -3.581 10.790 1.00 3.45 C ATOM 910 NH1 ARG A 57 -10.165 -4.632 10.602 1.00 55.11 N ATOM 911 NH2 ARG A 57 -12.111 -3.793 11.412 1.00 72.33 N ATOM 0 H ARG A 57 -11.899 -2.230 5.392 1.00 43.24 H new ATOM 0 HA ARG A 57 -11.424 -0.110 5.857 1.00 54.33 H new ATOM 0 HB2 ARG A 57 -10.013 0.170 7.901 1.00 12.14 H new ATOM 0 HB3 ARG A 57 -11.448 -0.830 8.005 1.00 12.14 H new ATOM 0 HG2 ARG A 57 -10.065 -2.869 7.832 1.00 41.12 H new ATOM 0 HG3 ARG A 57 -8.620 -1.893 7.661 1.00 41.12 H new ATOM 0 HD2 ARG A 57 -8.602 -2.622 9.907 1.00 65.44 H new ATOM 0 HD3 ARG A 57 -9.114 -0.948 9.984 1.00 65.44 H new ATOM 0 HE ARG A 57 -11.306 -1.607 10.574 1.00 12.23 H new ATOM 0 HH11 ARG A 57 -9.271 -4.516 10.125 1.00 55.11 H new ATOM 0 HH12 ARG A 57 -10.449 -5.553 10.935 1.00 55.11 H new ATOM 0 HH21 ARG A 57 -12.753 -3.017 11.575 1.00 72.33 H new ATOM 0 HH22 ARG A 57 -12.354 -4.732 11.728 1.00 72.33 H new ATOM 925 N PHE A 58 -9.659 0.199 3.984 1.00 3.03 N ATOM 926 CA PHE A 58 -8.635 0.763 3.101 1.00 53.04 C ATOM 927 C PHE A 58 -8.233 2.153 3.598 1.00 75.15 C ATOM 928 O PHE A 58 -9.036 2.859 4.213 1.00 61.25 O ATOM 929 CB PHE A 58 -9.098 0.856 1.630 1.00 53.41 C ATOM 930 CG PHE A 58 -9.441 -0.452 0.935 1.00 4.02 C ATOM 931 CD1 PHE A 58 -8.417 -1.203 0.339 1.00 40.35 C ATOM 932 CD2 PHE A 58 -10.770 -0.909 0.869 1.00 74.44 C ATOM 933 CE1 PHE A 58 -8.696 -2.438 -0.259 1.00 60.41 C ATOM 934 CE2 PHE A 58 -11.057 -2.149 0.273 1.00 64.45 C ATOM 935 CZ PHE A 58 -10.010 -2.932 -0.241 1.00 42.02 C ATOM 0 H PHE A 58 -10.555 0.032 3.526 1.00 3.03 H new ATOM 0 HA PHE A 58 -7.781 0.086 3.130 1.00 53.04 H new ATOM 0 HB2 PHE A 58 -9.975 1.502 1.590 1.00 53.41 H new ATOM 0 HB3 PHE A 58 -8.313 1.349 1.057 1.00 53.41 H new ATOM 0 HD1 PHE A 58 -7.405 -0.826 0.341 1.00 40.35 H new ATOM 0 HD2 PHE A 58 -11.569 -0.307 1.276 1.00 74.44 H new ATOM 0 HE1 PHE A 58 -7.907 -3.006 -0.730 1.00 60.41 H new ATOM 0 HE2 PHE A 58 -12.077 -2.498 0.210 1.00 64.45 H new ATOM 0 HZ PHE A 58 -10.217 -3.920 -0.625 1.00 42.02 H new ATOM 945 N PHE A 59 -7.044 2.607 3.196 1.00 12.01 N ATOM 946 CA PHE A 59 -6.614 3.993 3.339 1.00 2.44 C ATOM 947 C PHE A 59 -6.401 4.551 1.941 1.00 3.50 C ATOM 948 O PHE A 59 -5.422 4.180 1.291 1.00 54.44 O ATOM 949 CB PHE A 59 -5.343 4.094 4.197 1.00 24.12 C ATOM 950 CG PHE A 59 -4.753 5.489 4.317 1.00 64.32 C ATOM 951 CD1 PHE A 59 -5.577 6.616 4.505 1.00 21.42 C ATOM 952 CD2 PHE A 59 -3.358 5.663 4.237 1.00 12.51 C ATOM 953 CE1 PHE A 59 -5.013 7.899 4.582 1.00 0.14 C ATOM 954 CE2 PHE A 59 -2.794 6.942 4.349 1.00 0.30 C ATOM 955 CZ PHE A 59 -3.621 8.064 4.499 1.00 1.03 C ATOM 0 H PHE A 59 -6.344 2.010 2.755 1.00 12.01 H new ATOM 0 HA PHE A 59 -7.373 4.578 3.858 1.00 2.44 H new ATOM 0 HB2 PHE A 59 -5.569 3.725 5.197 1.00 24.12 H new ATOM 0 HB3 PHE A 59 -4.586 3.432 3.776 1.00 24.12 H new ATOM 0 HD1 PHE A 59 -6.647 6.492 4.590 1.00 21.42 H new ATOM 0 HD2 PHE A 59 -2.718 4.806 4.088 1.00 12.51 H new ATOM 0 HE1 PHE A 59 -5.651 8.761 4.705 1.00 0.14 H new ATOM 0 HE2 PHE A 59 -1.721 7.063 4.320 1.00 0.30 H new ATOM 0 HZ PHE A 59 -3.189 9.052 4.551 1.00 1.03 H new ATOM 965 N PHE A 60 -7.333 5.371 1.460 1.00 51.33 N ATOM 966 CA PHE A 60 -7.154 6.087 0.211 1.00 63.44 C ATOM 967 C PHE A 60 -6.573 7.459 0.521 1.00 11.20 C ATOM 968 O PHE A 60 -6.818 8.028 1.583 1.00 11.23 O ATOM 969 CB PHE A 60 -8.483 6.186 -0.542 1.00 43.42 C ATOM 970 CG PHE A 60 -9.113 4.841 -0.840 1.00 60.13 C ATOM 971 CD1 PHE A 60 -8.398 3.875 -1.568 1.00 53.41 C ATOM 972 CD2 PHE A 60 -10.384 4.530 -0.328 1.00 3.14 C ATOM 973 CE1 PHE A 60 -8.951 2.594 -1.755 1.00 34.31 C ATOM 974 CE2 PHE A 60 -10.923 3.244 -0.466 1.00 61.31 C ATOM 975 CZ PHE A 60 -10.202 2.275 -1.189 1.00 32.21 C ATOM 0 H PHE A 60 -8.223 5.553 1.924 1.00 51.33 H new ATOM 0 HA PHE A 60 -6.462 5.551 -0.439 1.00 63.44 H new ATOM 0 HB2 PHE A 60 -9.181 6.782 0.046 1.00 43.42 H new ATOM 0 HB3 PHE A 60 -8.321 6.718 -1.480 1.00 43.42 H new ATOM 0 HD1 PHE A 60 -7.429 4.114 -1.982 1.00 53.41 H new ATOM 0 HD2 PHE A 60 -10.954 5.294 0.180 1.00 3.14 H new ATOM 0 HE1 PHE A 60 -8.416 1.855 -2.333 1.00 34.31 H new ATOM 0 HE2 PHE A 60 -11.878 3.000 -0.024 1.00 61.31 H new ATOM 0 HZ PHE A 60 -10.609 1.282 -1.311 1.00 32.21 H new ATOM 985 N TYR A 61 -5.815 8.005 -0.421 1.00 24.44 N ATOM 986 CA TYR A 61 -5.213 9.327 -0.303 1.00 44.25 C ATOM 987 C TYR A 61 -4.903 9.845 -1.701 1.00 54.43 C ATOM 988 O TYR A 61 -4.670 9.062 -2.625 1.00 12.34 O ATOM 989 CB TYR A 61 -3.936 9.269 0.546 1.00 11.15 C ATOM 990 CG TYR A 61 -2.912 8.267 0.056 1.00 63.44 C ATOM 991 CD1 TYR A 61 -2.989 6.923 0.472 1.00 14.45 C ATOM 992 CD2 TYR A 61 -1.909 8.670 -0.848 1.00 20.32 C ATOM 993 CE1 TYR A 61 -2.079 5.978 -0.025 1.00 53.11 C ATOM 994 CE2 TYR A 61 -0.978 7.736 -1.328 1.00 72.34 C ATOM 995 CZ TYR A 61 -1.073 6.386 -0.927 1.00 1.22 C ATOM 996 OH TYR A 61 -0.188 5.489 -1.421 1.00 11.31 O ATOM 0 H TYR A 61 -5.598 7.536 -1.300 1.00 24.44 H new ATOM 0 HA TYR A 61 -5.909 10.003 0.195 1.00 44.25 H new ATOM 0 HB2 TYR A 61 -3.480 10.259 0.565 1.00 11.15 H new ATOM 0 HB3 TYR A 61 -4.206 9.023 1.573 1.00 11.15 H new ATOM 0 HD1 TYR A 61 -3.750 6.620 1.175 1.00 14.45 H new ATOM 0 HD2 TYR A 61 -1.857 9.699 -1.172 1.00 20.32 H new ATOM 0 HE1 TYR A 61 -2.148 4.944 0.281 1.00 53.11 H new ATOM 0 HE2 TYR A 61 -0.193 8.049 -2.001 1.00 72.34 H new ATOM 0 HH TYR A 61 -0.647 4.883 -2.040 1.00 11.31 H new ATOM 1006 N THR A 62 -4.928 11.160 -1.858 1.00 3.42 N ATOM 1007 CA THR A 62 -4.662 11.858 -3.100 1.00 74.42 C ATOM 1008 C THR A 62 -3.157 11.883 -3.392 1.00 52.01 C ATOM 1009 O THR A 62 -2.316 11.867 -2.491 1.00 40.33 O ATOM 1010 CB THR A 62 -5.298 13.262 -2.990 1.00 2.25 C ATOM 1011 OG1 THR A 62 -5.279 13.717 -1.639 1.00 2.22 O ATOM 1012 CG2 THR A 62 -6.749 13.175 -3.484 1.00 31.20 C ATOM 0 H THR A 62 -5.144 11.794 -1.089 1.00 3.42 H new ATOM 0 HA THR A 62 -5.108 11.346 -3.952 1.00 74.42 H new ATOM 0 HB THR A 62 -4.730 13.968 -3.596 1.00 2.25 H new ATOM 0 HG1 THR A 62 -6.120 14.178 -1.437 1.00 2.22 H new ATOM 0 HG21 THR A 62 -7.217 14.157 -3.414 1.00 31.20 H new ATOM 0 HG22 THR A 62 -6.761 12.840 -4.521 1.00 31.20 H new ATOM 0 HG23 THR A 62 -7.301 12.466 -2.868 1.00 31.20 H new ATOM 1020 N SER A 63 -2.824 11.935 -4.678 1.00 34.20 N ATOM 1021 CA SER A 63 -1.472 11.988 -5.222 1.00 65.44 C ATOM 1022 C SER A 63 -0.720 13.252 -4.800 1.00 11.54 C ATOM 1023 O SER A 63 0.502 13.223 -4.659 1.00 22.44 O ATOM 1024 CB SER A 63 -1.559 11.908 -6.759 1.00 14.30 C ATOM 1025 OG SER A 63 -2.857 12.262 -7.237 1.00 71.25 O ATOM 0 H SER A 63 -3.533 11.942 -5.411 1.00 34.20 H new ATOM 0 HA SER A 63 -0.909 11.144 -4.824 1.00 65.44 H new ATOM 0 HB2 SER A 63 -0.816 12.572 -7.200 1.00 14.30 H new ATOM 0 HB3 SER A 63 -1.315 10.897 -7.084 1.00 14.30 H new ATOM 0 HG SER A 63 -2.873 12.201 -8.215 1.00 71.25 H new ATOM 1031 N LYS A 64 -1.438 14.364 -4.613 1.00 40.13 N ATOM 1032 CA LYS A 64 -0.873 15.663 -4.312 1.00 34.10 C ATOM 1033 C LYS A 64 -0.070 15.615 -3.025 1.00 22.40 C ATOM 1034 O LYS A 64 1.042 16.136 -2.978 1.00 4.45 O ATOM 1035 CB LYS A 64 -2.033 16.668 -4.239 1.00 24.11 C ATOM 1036 CG LYS A 64 -1.583 18.088 -3.870 1.00 21.14 C ATOM 1037 CD LYS A 64 -1.885 18.440 -2.416 1.00 32.40 C ATOM 1038 CE LYS A 64 -3.367 18.756 -2.168 1.00 13.10 C ATOM 1039 NZ LYS A 64 -3.557 19.422 -0.863 1.00 2.22 N ATOM 0 H LYS A 64 -2.456 14.375 -4.671 1.00 40.13 H new ATOM 0 HA LYS A 64 -0.176 15.974 -5.090 1.00 34.10 H new ATOM 0 HB2 LYS A 64 -2.543 16.695 -5.202 1.00 24.11 H new ATOM 0 HB3 LYS A 64 -2.759 16.322 -3.503 1.00 24.11 H new ATOM 0 HG2 LYS A 64 -0.512 18.184 -4.048 1.00 21.14 H new ATOM 0 HG3 LYS A 64 -2.080 18.804 -4.524 1.00 21.14 H new ATOM 0 HD2 LYS A 64 -1.585 17.609 -1.777 1.00 32.40 H new ATOM 0 HD3 LYS A 64 -1.282 19.300 -2.124 1.00 32.40 H new ATOM 0 HE2 LYS A 64 -3.744 19.397 -2.965 1.00 13.10 H new ATOM 0 HE3 LYS A 64 -3.949 17.835 -2.198 1.00 13.10 H new ATOM 0 HZ1 LYS A 64 -4.567 19.624 -0.720 1.00 2.22 H new ATOM 0 HZ2 LYS A 64 -3.218 18.799 -0.103 1.00 2.22 H new ATOM 0 HZ3 LYS A 64 -3.020 20.312 -0.846 1.00 2.22 H new ATOM 1053 N GLU A 65 -0.655 15.068 -1.966 1.00 15.30 N ATOM 1054 CA GLU A 65 -0.109 15.256 -0.633 1.00 60.15 C ATOM 1055 C GLU A 65 1.198 14.440 -0.528 1.00 2.44 C ATOM 1056 O GLU A 65 1.261 13.352 -1.110 1.00 53.51 O ATOM 1057 CB GLU A 65 -1.229 14.841 0.336 1.00 1.04 C ATOM 1058 CG GLU A 65 -1.046 15.359 1.762 1.00 52.24 C ATOM 1059 CD GLU A 65 -2.371 15.402 2.524 1.00 64.22 C ATOM 1060 OE1 GLU A 65 -3.138 16.372 2.367 1.00 11.02 O ATOM 1061 OE2 GLU A 65 -2.673 14.436 3.269 1.00 60.31 O ATOM 0 H GLU A 65 -1.499 14.497 -2.006 1.00 15.30 H new ATOM 0 HA GLU A 65 0.176 16.280 -0.391 1.00 60.15 H new ATOM 0 HB2 GLU A 65 -2.182 15.203 -0.051 1.00 1.04 H new ATOM 0 HB3 GLU A 65 -1.288 13.753 0.361 1.00 1.04 H new ATOM 0 HG2 GLU A 65 -0.341 14.719 2.294 1.00 52.24 H new ATOM 0 HG3 GLU A 65 -0.611 16.358 1.733 1.00 52.24 H new ATOM 1068 N PRO A 66 2.245 14.913 0.181 1.00 52.22 N ATOM 1069 CA PRO A 66 3.574 14.317 0.058 1.00 2.10 C ATOM 1070 C PRO A 66 3.603 12.887 0.584 1.00 62.44 C ATOM 1071 O PRO A 66 2.969 12.587 1.600 1.00 43.12 O ATOM 1072 CB PRO A 66 4.544 15.225 0.826 1.00 52.05 C ATOM 1073 CG PRO A 66 3.663 16.191 1.616 1.00 42.14 C ATOM 1074 CD PRO A 66 2.323 16.185 0.883 1.00 63.14 C ATOM 0 HA PRO A 66 3.865 14.248 -0.990 1.00 2.10 H new ATOM 0 HB2 PRO A 66 5.182 14.643 1.491 1.00 52.05 H new ATOM 0 HB3 PRO A 66 5.201 15.763 0.143 1.00 52.05 H new ATOM 0 HG2 PRO A 66 3.549 15.867 2.651 1.00 42.14 H new ATOM 0 HG3 PRO A 66 4.096 17.191 1.641 1.00 42.14 H new ATOM 0 HD2 PRO A 66 1.496 16.293 1.585 1.00 63.14 H new ATOM 0 HD3 PRO A 66 2.259 17.019 0.184 1.00 63.14 H new ATOM 1082 N VAL A 67 4.418 12.031 -0.039 1.00 2.34 N ATOM 1083 CA VAL A 67 4.571 10.613 0.289 1.00 40.32 C ATOM 1084 C VAL A 67 4.927 10.485 1.774 1.00 3.44 C ATOM 1085 O VAL A 67 4.347 9.671 2.494 1.00 20.40 O ATOM 1086 CB VAL A 67 5.643 9.974 -0.625 1.00 71.43 C ATOM 1087 CG1 VAL A 67 5.887 8.490 -0.316 1.00 61.34 C ATOM 1088 CG2 VAL A 67 5.256 10.068 -2.107 1.00 73.33 C ATOM 0 H VAL A 67 5.012 12.320 -0.816 1.00 2.34 H new ATOM 0 HA VAL A 67 3.639 10.076 0.114 1.00 40.32 H new ATOM 0 HB VAL A 67 6.551 10.543 -0.424 1.00 71.43 H new ATOM 0 HG11 VAL A 67 6.649 8.099 -0.990 1.00 61.34 H new ATOM 0 HG12 VAL A 67 6.225 8.384 0.715 1.00 61.34 H new ATOM 0 HG13 VAL A 67 4.960 7.933 -0.453 1.00 61.34 H new ATOM 0 HG21 VAL A 67 6.034 9.608 -2.716 1.00 73.33 H new ATOM 0 HG22 VAL A 67 4.312 9.547 -2.270 1.00 73.33 H new ATOM 0 HG23 VAL A 67 5.146 11.115 -2.389 1.00 73.33 H new ATOM 1098 N ALA A 68 5.826 11.350 2.261 1.00 63.54 N ATOM 1099 CA ALA A 68 6.235 11.367 3.655 1.00 31.33 C ATOM 1100 C ALA A 68 5.056 11.626 4.605 1.00 41.04 C ATOM 1101 O ALA A 68 5.028 11.107 5.721 1.00 20.34 O ATOM 1102 CB ALA A 68 7.321 12.427 3.852 1.00 23.30 C ATOM 0 H ALA A 68 6.287 12.058 1.689 1.00 63.54 H new ATOM 0 HA ALA A 68 6.629 10.381 3.901 1.00 31.33 H new ATOM 0 HB1 ALA A 68 7.630 12.442 4.897 1.00 23.30 H new ATOM 0 HB2 ALA A 68 8.179 12.190 3.224 1.00 23.30 H new ATOM 0 HB3 ALA A 68 6.929 13.406 3.576 1.00 23.30 H new ATOM 1108 N SER A 69 4.053 12.402 4.193 1.00 52.32 N ATOM 1109 CA SER A 69 2.890 12.632 5.040 1.00 60.41 C ATOM 1110 C SER A 69 1.913 11.452 5.009 1.00 0.11 C ATOM 1111 O SER A 69 1.309 11.151 6.034 1.00 34.43 O ATOM 1112 CB SER A 69 2.239 13.966 4.719 1.00 1.53 C ATOM 1113 OG SER A 69 1.713 14.063 3.412 1.00 41.13 O ATOM 0 H SER A 69 4.025 12.875 3.290 1.00 52.32 H new ATOM 0 HA SER A 69 3.231 12.695 6.073 1.00 60.41 H new ATOM 0 HB2 SER A 69 1.436 14.145 5.434 1.00 1.53 H new ATOM 0 HB3 SER A 69 2.974 14.758 4.860 1.00 1.53 H new ATOM 0 HG SER A 69 2.062 13.329 2.864 1.00 41.13 H new ATOM 1119 N ILE A 70 1.846 10.691 3.911 1.00 72.52 N ATOM 1120 CA ILE A 70 1.085 9.440 3.858 1.00 35.33 C ATOM 1121 C ILE A 70 1.659 8.483 4.917 1.00 14.01 C ATOM 1122 O ILE A 70 0.909 7.920 5.720 1.00 41.25 O ATOM 1123 CB ILE A 70 1.149 8.784 2.456 1.00 62.41 C ATOM 1124 CG1 ILE A 70 1.109 9.741 1.252 1.00 20.40 C ATOM 1125 CG2 ILE A 70 0.065 7.707 2.319 1.00 24.52 C ATOM 1126 CD1 ILE A 70 -0.033 10.742 1.175 1.00 44.52 C ATOM 0 H ILE A 70 2.317 10.925 3.037 1.00 72.52 H new ATOM 0 HA ILE A 70 0.036 9.655 4.061 1.00 35.33 H new ATOM 0 HB ILE A 70 2.145 8.342 2.413 1.00 62.41 H new ATOM 0 HG12 ILE A 70 2.045 10.300 1.238 1.00 20.40 H new ATOM 0 HG13 ILE A 70 1.085 9.137 0.345 1.00 20.40 H new ATOM 0 HG21 ILE A 70 0.123 7.256 1.328 1.00 24.52 H new ATOM 0 HG22 ILE A 70 0.217 6.939 3.077 1.00 24.52 H new ATOM 0 HG23 ILE A 70 -0.917 8.160 2.454 1.00 24.52 H new ATOM 0 HD11 ILE A 70 0.073 11.346 0.274 1.00 44.52 H new ATOM 0 HD12 ILE A 70 -0.983 10.209 1.145 1.00 44.52 H new ATOM 0 HD13 ILE A 70 -0.009 11.390 2.051 1.00 44.52 H new ATOM 1138 N ILE A 71 2.994 8.361 4.966 1.00 11.03 N ATOM 1139 CA ILE A 71 3.717 7.585 5.975 1.00 40.41 C ATOM 1140 C ILE A 71 3.327 8.088 7.366 1.00 1.50 C ATOM 1141 O ILE A 71 3.101 7.289 8.270 1.00 52.12 O ATOM 1142 CB ILE A 71 5.247 7.675 5.722 1.00 23.40 C ATOM 1143 CG1 ILE A 71 5.666 6.970 4.414 1.00 33.22 C ATOM 1144 CG2 ILE A 71 6.106 7.161 6.894 1.00 63.12 C ATOM 1145 CD1 ILE A 71 5.654 5.437 4.489 1.00 31.15 C ATOM 0 H ILE A 71 3.611 8.810 4.289 1.00 11.03 H new ATOM 0 HA ILE A 71 3.446 6.531 5.909 1.00 40.41 H new ATOM 0 HB ILE A 71 5.444 8.743 5.626 1.00 23.40 H new ATOM 0 HG12 ILE A 71 4.998 7.288 3.614 1.00 33.22 H new ATOM 0 HG13 ILE A 71 6.668 7.301 4.142 1.00 33.22 H new ATOM 0 HG21 ILE A 71 7.162 7.257 6.641 1.00 63.12 H new ATOM 0 HG22 ILE A 71 5.892 7.749 7.787 1.00 63.12 H new ATOM 0 HG23 ILE A 71 5.872 6.114 7.084 1.00 63.12 H new ATOM 0 HD11 ILE A 71 5.961 5.023 3.528 1.00 31.15 H new ATOM 0 HD12 ILE A 71 6.345 5.105 5.264 1.00 31.15 H new ATOM 0 HD13 ILE A 71 4.648 5.092 4.728 1.00 31.15 H new ATOM 1157 N THR A 72 3.223 9.403 7.545 1.00 71.15 N ATOM 1158 CA THR A 72 2.876 10.009 8.820 1.00 71.21 C ATOM 1159 C THR A 72 1.429 9.646 9.225 1.00 13.12 C ATOM 1160 O THR A 72 1.202 9.273 10.380 1.00 31.14 O ATOM 1161 CB THR A 72 3.182 11.514 8.743 1.00 40.22 C ATOM 1162 OG1 THR A 72 4.515 11.713 8.277 1.00 72.51 O ATOM 1163 CG2 THR A 72 3.070 12.194 10.102 1.00 0.54 C ATOM 0 H THR A 72 3.380 10.081 6.799 1.00 71.15 H new ATOM 0 HA THR A 72 3.484 9.610 9.632 1.00 71.21 H new ATOM 0 HB THR A 72 2.450 11.949 8.063 1.00 40.22 H new ATOM 0 HG1 THR A 72 4.552 11.547 7.312 1.00 72.51 H new ATOM 0 HG21 THR A 72 3.295 13.255 9.997 1.00 0.54 H new ATOM 0 HG22 THR A 72 2.057 12.074 10.487 1.00 0.54 H new ATOM 0 HG23 THR A 72 3.778 11.740 10.796 1.00 0.54 H new ATOM 1171 N LYS A 73 0.451 9.660 8.305 1.00 41.32 N ATOM 1172 CA LYS A 73 -0.913 9.198 8.572 1.00 32.41 C ATOM 1173 C LYS A 73 -0.924 7.712 8.944 1.00 60.22 C ATOM 1174 O LYS A 73 -1.561 7.331 9.933 1.00 43.43 O ATOM 1175 CB LYS A 73 -1.835 9.483 7.365 1.00 24.31 C ATOM 1176 CG LYS A 73 -2.301 10.951 7.284 1.00 0.33 C ATOM 1177 CD LYS A 73 -3.676 11.163 6.601 1.00 35.23 C ATOM 1178 CE LYS A 73 -3.568 11.711 5.169 1.00 52.23 C ATOM 1179 NZ LYS A 73 -4.890 11.928 4.513 1.00 20.13 N ATOM 0 H LYS A 73 0.589 9.995 7.351 1.00 41.32 H new ATOM 0 HA LYS A 73 -1.301 9.755 9.425 1.00 32.41 H new ATOM 0 HB2 LYS A 73 -1.308 9.225 6.446 1.00 24.31 H new ATOM 0 HB3 LYS A 73 -2.709 8.835 7.424 1.00 24.31 H new ATOM 0 HG2 LYS A 73 -2.347 11.359 8.294 1.00 0.33 H new ATOM 0 HG3 LYS A 73 -1.550 11.526 6.742 1.00 0.33 H new ATOM 0 HD2 LYS A 73 -4.213 10.215 6.580 1.00 35.23 H new ATOM 0 HD3 LYS A 73 -4.270 11.852 7.202 1.00 35.23 H new ATOM 0 HE2 LYS A 73 -3.023 12.654 5.190 1.00 52.23 H new ATOM 0 HE3 LYS A 73 -2.982 11.017 4.566 1.00 52.23 H new ATOM 0 HZ1 LYS A 73 -4.744 12.298 3.552 1.00 20.13 H new ATOM 0 HZ2 LYS A 73 -5.405 11.026 4.463 1.00 20.13 H new ATOM 0 HZ3 LYS A 73 -5.444 12.612 5.067 1.00 20.13 H new ATOM 1193 N LEU A 74 -0.203 6.873 8.191 1.00 42.05 N ATOM 1194 CA LEU A 74 -0.060 5.449 8.491 1.00 0.30 C ATOM 1195 C LEU A 74 0.586 5.231 9.862 1.00 31.53 C ATOM 1196 O LEU A 74 0.268 4.254 10.537 1.00 14.42 O ATOM 1197 CB LEU A 74 0.779 4.737 7.413 1.00 12.13 C ATOM 1198 CG LEU A 74 0.088 4.501 6.058 1.00 11.02 C ATOM 1199 CD1 LEU A 74 1.088 3.857 5.092 1.00 74.43 C ATOM 1200 CD2 LEU A 74 -1.131 3.580 6.190 1.00 43.11 C ATOM 0 H LEU A 74 0.299 7.167 7.353 1.00 42.05 H new ATOM 0 HA LEU A 74 -1.063 5.023 8.502 1.00 0.30 H new ATOM 0 HB2 LEU A 74 1.682 5.323 7.239 1.00 12.13 H new ATOM 0 HB3 LEU A 74 1.096 3.772 7.808 1.00 12.13 H new ATOM 0 HG LEU A 74 -0.253 5.466 5.684 1.00 11.02 H new ATOM 0 HD11 LEU A 74 0.606 3.687 4.129 1.00 74.43 H new ATOM 0 HD12 LEU A 74 1.943 4.520 4.957 1.00 74.43 H new ATOM 0 HD13 LEU A 74 1.428 2.906 5.501 1.00 74.43 H new ATOM 0 HD21 LEU A 74 -1.589 3.440 5.211 1.00 43.11 H new ATOM 0 HD22 LEU A 74 -0.816 2.614 6.585 1.00 43.11 H new ATOM 0 HD23 LEU A 74 -1.856 4.031 6.868 1.00 43.11 H new ATOM 1212 N ASN A 75 1.479 6.124 10.293 1.00 20.14 N ATOM 1213 CA ASN A 75 2.211 6.006 11.554 1.00 11.22 C ATOM 1214 C ASN A 75 1.288 6.034 12.772 1.00 43.13 C ATOM 1215 O ASN A 75 1.632 5.471 13.809 1.00 71.52 O ATOM 1216 CB ASN A 75 3.223 7.153 11.680 1.00 22.22 C ATOM 1217 CG ASN A 75 4.548 6.660 12.219 1.00 53.52 C ATOM 1218 OD1 ASN A 75 4.750 6.522 13.418 1.00 45.53 O ATOM 1219 ND2 ASN A 75 5.491 6.387 11.331 1.00 33.44 N ATOM 0 H ASN A 75 1.717 6.964 9.766 1.00 20.14 H new ATOM 0 HA ASN A 75 2.718 5.041 11.535 1.00 11.22 H new ATOM 0 HB2 ASN A 75 3.374 7.616 10.705 1.00 22.22 H new ATOM 0 HB3 ASN A 75 2.823 7.923 12.340 1.00 22.22 H new ATOM 0 HD21 ASN A 75 6.404 6.056 11.642 1.00 33.44 H new ATOM 0 HD22 ASN A 75 5.305 6.508 10.336 1.00 33.44 H new ATOM 1226 N SER A 76 0.142 6.708 12.639 1.00 44.04 N ATOM 1227 CA SER A 76 -0.882 6.812 13.665 1.00 0.23 C ATOM 1228 C SER A 76 -1.651 5.499 13.798 1.00 63.13 C ATOM 1229 O SER A 76 -1.928 5.065 14.916 1.00 24.30 O ATOM 1230 CB SER A 76 -1.836 7.949 13.284 1.00 0.41 C ATOM 1231 OG SER A 76 -2.142 8.737 14.415 1.00 43.35 O ATOM 0 H SER A 76 -0.100 7.210 11.784 1.00 44.04 H new ATOM 0 HA SER A 76 -0.415 7.022 14.627 1.00 0.23 H new ATOM 0 HB2 SER A 76 -1.381 8.570 12.513 1.00 0.41 H new ATOM 0 HB3 SER A 76 -2.752 7.537 12.862 1.00 0.41 H new ATOM 0 HG SER A 76 -2.751 9.460 14.155 1.00 43.35 H new ATOM 1237 N LEU A 77 -1.977 4.877 12.655 1.00 13.11 N ATOM 1238 CA LEU A 77 -2.729 3.620 12.609 1.00 0.42 C ATOM 1239 C LEU A 77 -2.043 2.584 13.479 1.00 20.35 C ATOM 1240 O LEU A 77 -2.699 1.935 14.292 1.00 33.21 O ATOM 1241 CB LEU A 77 -2.832 3.033 11.196 1.00 31.24 C ATOM 1242 CG LEU A 77 -3.649 3.844 10.184 1.00 20.34 C ATOM 1243 CD1 LEU A 77 -3.380 3.225 8.817 1.00 12.13 C ATOM 1244 CD2 LEU A 77 -5.149 3.795 10.479 1.00 71.42 C ATOM 0 H LEU A 77 -1.724 5.236 11.734 1.00 13.11 H new ATOM 0 HA LEU A 77 -3.733 3.853 12.963 1.00 0.42 H new ATOM 0 HB2 LEU A 77 -1.823 2.910 10.802 1.00 31.24 H new ATOM 0 HB3 LEU A 77 -3.269 2.037 11.270 1.00 31.24 H new ATOM 0 HG LEU A 77 -3.355 4.893 10.231 1.00 20.34 H new ATOM 0 HD11 LEU A 77 -3.940 3.767 8.055 1.00 12.13 H new ATOM 0 HD12 LEU A 77 -2.315 3.284 8.594 1.00 12.13 H new ATOM 0 HD13 LEU A 77 -3.692 2.181 8.823 1.00 12.13 H new ATOM 0 HD21 LEU A 77 -5.686 4.384 9.735 1.00 71.42 H new ATOM 0 HD22 LEU A 77 -5.494 2.762 10.441 1.00 71.42 H new ATOM 0 HD23 LEU A 77 -5.338 4.204 11.471 1.00 71.42 H new ATOM 1256 N ASN A 78 -0.725 2.467 13.311 1.00 61.22 N ATOM 1257 CA ASN A 78 0.155 1.583 14.060 1.00 61.52 C ATOM 1258 C ASN A 78 -0.381 0.144 14.132 1.00 74.32 C ATOM 1259 O ASN A 78 -0.420 -0.482 15.189 1.00 1.30 O ATOM 1260 CB ASN A 78 0.478 2.218 15.422 1.00 73.23 C ATOM 1261 CG ASN A 78 1.702 1.572 16.049 1.00 34.24 C ATOM 1262 OD1 ASN A 78 2.593 1.084 15.357 1.00 11.20 O ATOM 1263 ND2 ASN A 78 1.838 1.627 17.357 1.00 41.13 N ATOM 0 H ASN A 78 -0.222 3.015 12.613 1.00 61.22 H new ATOM 0 HA ASN A 78 1.100 1.475 13.528 1.00 61.52 H new ATOM 0 HB2 ASN A 78 0.651 3.287 15.297 1.00 73.23 H new ATOM 0 HB3 ASN A 78 -0.377 2.109 16.090 1.00 73.23 H new ATOM 0 HD21 ASN A 78 2.684 1.264 17.798 1.00 41.13 H new ATOM 0 HD22 ASN A 78 1.098 2.032 17.930 1.00 41.13 H new ATOM 1270 N GLU A 79 -0.843 -0.354 12.986 1.00 51.04 N ATOM 1271 CA GLU A 79 -1.201 -1.734 12.679 1.00 41.43 C ATOM 1272 C GLU A 79 -0.366 -2.127 11.450 1.00 51.43 C ATOM 1273 O GLU A 79 0.053 -1.223 10.718 1.00 53.24 O ATOM 1274 CB GLU A 79 -2.695 -1.782 12.321 1.00 72.33 C ATOM 1275 CG GLU A 79 -3.631 -1.490 13.497 1.00 34.54 C ATOM 1276 CD GLU A 79 -3.710 -2.592 14.564 1.00 34.10 C ATOM 1277 OE1 GLU A 79 -3.526 -3.792 14.254 1.00 4.41 O ATOM 1278 OE2 GLU A 79 -4.013 -2.248 15.730 1.00 34.10 O ATOM 0 H GLU A 79 -0.988 0.253 12.179 1.00 51.04 H new ATOM 0 HA GLU A 79 -1.014 -2.406 13.517 1.00 41.43 H new ATOM 0 HB2 GLU A 79 -2.891 -1.061 11.528 1.00 72.33 H new ATOM 0 HB3 GLU A 79 -2.930 -2.768 11.920 1.00 72.33 H new ATOM 0 HG2 GLU A 79 -3.308 -0.566 13.976 1.00 34.54 H new ATOM 0 HG3 GLU A 79 -4.633 -1.313 13.107 1.00 34.54 H new ATOM 1285 N PRO A 80 -0.147 -3.422 11.159 1.00 12.10 N ATOM 1286 CA PRO A 80 0.601 -3.833 9.978 1.00 4.31 C ATOM 1287 C PRO A 80 -0.159 -3.479 8.700 1.00 12.25 C ATOM 1288 O PRO A 80 -1.394 -3.544 8.662 1.00 43.32 O ATOM 1289 CB PRO A 80 0.776 -5.351 10.097 1.00 51.52 C ATOM 1290 CG PRO A 80 -0.434 -5.759 10.925 1.00 73.25 C ATOM 1291 CD PRO A 80 -0.594 -4.591 11.898 1.00 62.45 C ATOM 0 HA PRO A 80 1.562 -3.322 9.922 1.00 4.31 H new ATOM 0 HB2 PRO A 80 0.782 -5.836 9.121 1.00 51.52 H new ATOM 0 HB3 PRO A 80 1.712 -5.614 10.590 1.00 51.52 H new ATOM 0 HG2 PRO A 80 -1.321 -5.893 10.305 1.00 73.25 H new ATOM 0 HG3 PRO A 80 -0.266 -6.700 11.448 1.00 73.25 H new ATOM 0 HD2 PRO A 80 -1.630 -4.483 12.218 1.00 62.45 H new ATOM 0 HD3 PRO A 80 0.003 -4.742 12.797 1.00 62.45 H new ATOM 1299 N LEU A 81 0.581 -3.159 7.639 1.00 33.10 N ATOM 1300 CA LEU A 81 0.058 -2.897 6.317 1.00 41.03 C ATOM 1301 C LEU A 81 0.541 -3.967 5.348 1.00 21.21 C ATOM 1302 O LEU A 81 1.472 -4.724 5.624 1.00 21.51 O ATOM 1303 CB LEU A 81 0.519 -1.527 5.788 1.00 12.45 C ATOM 1304 CG LEU A 81 0.466 -0.318 6.731 1.00 43.52 C ATOM 1305 CD1 LEU A 81 -0.879 -0.098 7.417 1.00 12.01 C ATOM 1306 CD2 LEU A 81 1.595 -0.282 7.745 1.00 11.10 C ATOM 0 H LEU A 81 1.596 -3.074 7.688 1.00 33.10 H new ATOM 0 HA LEU A 81 -1.030 -2.904 6.390 1.00 41.03 H new ATOM 0 HB2 LEU A 81 1.548 -1.634 5.445 1.00 12.45 H new ATOM 0 HB3 LEU A 81 -0.085 -1.290 4.912 1.00 12.45 H new ATOM 0 HG LEU A 81 0.606 0.522 6.050 1.00 43.52 H new ATOM 0 HD11 LEU A 81 -0.819 0.778 8.063 1.00 12.01 H new ATOM 0 HD12 LEU A 81 -1.651 0.059 6.663 1.00 12.01 H new ATOM 0 HD13 LEU A 81 -1.129 -0.974 8.016 1.00 12.01 H new ATOM 0 HD21 LEU A 81 1.490 0.601 8.376 1.00 11.10 H new ATOM 0 HD22 LEU A 81 1.556 -1.178 8.365 1.00 11.10 H new ATOM 0 HD23 LEU A 81 2.551 -0.243 7.223 1.00 11.10 H new ATOM 1318 N VAL A 82 -0.026 -3.933 4.155 1.00 53.52 N ATOM 1319 CA VAL A 82 0.397 -4.678 2.980 1.00 1.30 C ATOM 1320 C VAL A 82 0.133 -3.752 1.792 1.00 52.31 C ATOM 1321 O VAL A 82 -0.985 -3.257 1.667 1.00 64.21 O ATOM 1322 CB VAL A 82 -0.318 -6.054 2.942 1.00 40.31 C ATOM 1323 CG1 VAL A 82 -1.837 -5.996 3.148 1.00 11.03 C ATOM 1324 CG2 VAL A 82 -0.027 -6.824 1.647 1.00 34.50 C ATOM 0 H VAL A 82 -0.842 -3.350 3.969 1.00 53.52 H new ATOM 0 HA VAL A 82 1.455 -4.942 2.972 1.00 1.30 H new ATOM 0 HB VAL A 82 0.106 -6.582 3.797 1.00 40.31 H new ATOM 0 HG11 VAL A 82 -2.249 -7.004 3.105 1.00 11.03 H new ATOM 0 HG12 VAL A 82 -2.056 -5.556 4.121 1.00 11.03 H new ATOM 0 HG13 VAL A 82 -2.287 -5.387 2.364 1.00 11.03 H new ATOM 0 HG21 VAL A 82 -0.549 -7.781 1.667 1.00 34.50 H new ATOM 0 HG22 VAL A 82 -0.370 -6.241 0.792 1.00 34.50 H new ATOM 0 HG23 VAL A 82 1.046 -6.998 1.560 1.00 34.50 H new ATOM 1334 N THR A 83 1.143 -3.405 0.981 1.00 75.21 N ATOM 1335 CA THR A 83 0.955 -2.448 -0.112 1.00 43.04 C ATOM 1336 C THR A 83 2.105 -2.503 -1.140 1.00 63.21 C ATOM 1337 O THR A 83 3.081 -3.234 -0.983 1.00 24.33 O ATOM 1338 CB THR A 83 0.775 -1.044 0.498 1.00 62.22 C ATOM 1339 OG1 THR A 83 0.165 -0.177 -0.435 1.00 1.12 O ATOM 1340 CG2 THR A 83 2.064 -0.417 1.034 1.00 23.42 C ATOM 0 H THR A 83 2.091 -3.772 1.063 1.00 75.21 H new ATOM 0 HA THR A 83 0.060 -2.711 -0.675 1.00 43.04 H new ATOM 0 HB THR A 83 0.128 -1.182 1.364 1.00 62.22 H new ATOM 0 HG1 THR A 83 -0.732 0.062 -0.121 1.00 1.12 H new ATOM 0 HG21 THR A 83 1.846 0.569 1.445 1.00 23.42 H new ATOM 0 HG22 THR A 83 2.480 -1.052 1.816 1.00 23.42 H new ATOM 0 HG23 THR A 83 2.786 -0.321 0.223 1.00 23.42 H new ATOM 1348 N MET A 84 1.999 -1.718 -2.207 1.00 74.22 N ATOM 1349 CA MET A 84 2.947 -1.594 -3.317 1.00 34.41 C ATOM 1350 C MET A 84 3.892 -0.402 -3.029 1.00 54.14 C ATOM 1351 O MET A 84 3.618 0.368 -2.100 1.00 54.03 O ATOM 1352 CB MET A 84 2.191 -1.400 -4.645 1.00 42.22 C ATOM 1353 CG MET A 84 0.845 -2.117 -4.742 1.00 0.20 C ATOM 1354 SD MET A 84 -0.485 -1.104 -4.024 1.00 42.25 S ATOM 1355 CE MET A 84 -1.680 -2.368 -3.551 1.00 1.13 C ATOM 0 H MET A 84 1.192 -1.107 -2.331 1.00 74.22 H new ATOM 0 HA MET A 84 3.539 -2.505 -3.409 1.00 34.41 H new ATOM 0 HB2 MET A 84 2.027 -0.333 -4.798 1.00 42.22 H new ATOM 0 HB3 MET A 84 2.827 -1.745 -5.460 1.00 42.22 H new ATOM 0 HG2 MET A 84 0.619 -2.334 -5.786 1.00 0.20 H new ATOM 0 HG3 MET A 84 0.900 -3.073 -4.222 1.00 0.20 H new ATOM 0 HE1 MET A 84 -2.623 -1.894 -3.279 1.00 1.13 H new ATOM 0 HE2 MET A 84 -1.843 -3.046 -4.389 1.00 1.13 H new ATOM 0 HE3 MET A 84 -1.298 -2.930 -2.699 1.00 1.13 H new ATOM 1365 N PRO A 85 5.017 -0.202 -3.739 1.00 4.54 N ATOM 1366 CA PRO A 85 5.864 0.967 -3.505 1.00 20.20 C ATOM 1367 C PRO A 85 5.086 2.236 -3.890 1.00 20.54 C ATOM 1368 O PRO A 85 4.609 2.353 -5.020 1.00 1.04 O ATOM 1369 CB PRO A 85 7.115 0.754 -4.356 1.00 20.41 C ATOM 1370 CG PRO A 85 6.655 -0.154 -5.498 1.00 14.42 C ATOM 1371 CD PRO A 85 5.386 -0.849 -4.990 1.00 3.02 C ATOM 0 HA PRO A 85 6.152 1.089 -2.461 1.00 20.20 H new ATOM 0 HB2 PRO A 85 7.503 1.700 -4.734 1.00 20.41 H new ATOM 0 HB3 PRO A 85 7.914 0.290 -3.777 1.00 20.41 H new ATOM 0 HG2 PRO A 85 6.451 0.424 -6.400 1.00 14.42 H new ATOM 0 HG3 PRO A 85 7.425 -0.882 -5.754 1.00 14.42 H new ATOM 0 HD2 PRO A 85 4.581 -0.764 -5.720 1.00 3.02 H new ATOM 0 HD3 PRO A 85 5.565 -1.913 -4.836 1.00 3.02 H new ATOM 1379 N ILE A 86 4.868 3.147 -2.937 1.00 72.11 N ATOM 1380 CA ILE A 86 4.025 4.337 -3.114 1.00 60.53 C ATOM 1381 C ILE A 86 4.757 5.358 -3.984 1.00 23.11 C ATOM 1382 O ILE A 86 4.387 5.616 -5.132 1.00 11.10 O ATOM 1383 CB ILE A 86 3.609 4.909 -1.735 1.00 33.40 C ATOM 1384 CG1 ILE A 86 2.747 3.857 -1.005 1.00 11.50 C ATOM 1385 CG2 ILE A 86 2.857 6.245 -1.896 1.00 53.11 C ATOM 1386 CD1 ILE A 86 2.418 4.165 0.453 1.00 13.51 C ATOM 0 H ILE A 86 5.278 3.079 -2.006 1.00 72.11 H new ATOM 0 HA ILE A 86 3.104 4.070 -3.632 1.00 60.53 H new ATOM 0 HB ILE A 86 4.497 5.119 -1.140 1.00 33.40 H new ATOM 0 HG12 ILE A 86 1.812 3.738 -1.552 1.00 11.50 H new ATOM 0 HG13 ILE A 86 3.264 2.898 -1.047 1.00 11.50 H new ATOM 0 HG21 ILE A 86 2.576 6.625 -0.914 1.00 53.11 H new ATOM 0 HG22 ILE A 86 3.503 6.968 -2.394 1.00 53.11 H new ATOM 0 HG23 ILE A 86 1.960 6.088 -2.494 1.00 53.11 H new ATOM 0 HD11 ILE A 86 1.809 3.361 0.866 1.00 13.51 H new ATOM 0 HD12 ILE A 86 3.342 4.251 1.024 1.00 13.51 H new ATOM 0 HD13 ILE A 86 1.867 5.104 0.511 1.00 13.51 H new ATOM 1398 N GLY A 87 5.801 5.963 -3.421 1.00 52.52 N ATOM 1399 CA GLY A 87 6.635 6.909 -4.122 1.00 40.21 C ATOM 1400 C GLY A 87 7.484 6.111 -5.098 1.00 53.41 C ATOM 1401 O GLY A 87 8.500 5.562 -4.697 1.00 41.34 O ATOM 0 H GLY A 87 6.086 5.802 -2.455 1.00 52.52 H new ATOM 0 HA2 GLY A 87 6.026 7.643 -4.650 1.00 40.21 H new ATOM 0 HA3 GLY A 87 7.265 7.460 -3.424 1.00 40.21 H new ATOM 1405 N TYR A 88 7.032 5.988 -6.343 1.00 63.22 N ATOM 1406 CA TYR A 88 7.730 5.295 -7.433 1.00 12.22 C ATOM 1407 C TYR A 88 7.216 5.765 -8.798 1.00 41.43 C ATOM 1408 O TYR A 88 7.942 5.778 -9.788 1.00 52.02 O ATOM 1409 CB TYR A 88 7.519 3.783 -7.259 1.00 34.10 C ATOM 1410 CG TYR A 88 8.246 2.904 -8.257 1.00 72.52 C ATOM 1411 CD1 TYR A 88 9.644 2.751 -8.176 1.00 64.31 C ATOM 1412 CD2 TYR A 88 7.519 2.206 -9.241 1.00 20.12 C ATOM 1413 CE1 TYR A 88 10.315 1.882 -9.054 1.00 21.31 C ATOM 1414 CE2 TYR A 88 8.184 1.351 -10.135 1.00 44.21 C ATOM 1415 CZ TYR A 88 9.582 1.182 -10.037 1.00 31.21 C ATOM 1416 OH TYR A 88 10.205 0.315 -10.874 1.00 72.51 O ATOM 0 H TYR A 88 6.137 6.381 -6.636 1.00 63.22 H new ATOM 0 HA TYR A 88 8.795 5.526 -7.394 1.00 12.22 H new ATOM 0 HB2 TYR A 88 7.837 3.503 -6.255 1.00 34.10 H new ATOM 0 HB3 TYR A 88 6.452 3.573 -7.326 1.00 34.10 H new ATOM 0 HD1 TYR A 88 10.203 3.304 -7.436 1.00 64.31 H new ATOM 0 HD2 TYR A 88 6.448 2.329 -9.308 1.00 20.12 H new ATOM 0 HE1 TYR A 88 11.384 1.751 -8.977 1.00 21.31 H new ATOM 0 HE2 TYR A 88 7.627 0.824 -10.896 1.00 44.21 H new ATOM 0 HH TYR A 88 9.548 -0.078 -11.486 1.00 72.51 H new ATOM 1426 N VAL A 89 5.966 6.223 -8.836 1.00 74.34 N ATOM 1427 CA VAL A 89 5.226 6.548 -10.049 1.00 43.12 C ATOM 1428 C VAL A 89 4.601 7.932 -9.890 1.00 75.22 C ATOM 1429 O VAL A 89 5.077 8.865 -10.533 1.00 13.11 O ATOM 1430 CB VAL A 89 4.269 5.413 -10.475 1.00 2.43 C ATOM 1431 CG1 VAL A 89 4.999 4.400 -11.368 1.00 31.42 C ATOM 1432 CG2 VAL A 89 3.685 4.666 -9.277 1.00 3.11 C ATOM 0 H VAL A 89 5.422 6.383 -7.988 1.00 74.34 H new ATOM 0 HA VAL A 89 5.900 6.614 -10.903 1.00 43.12 H new ATOM 0 HB VAL A 89 3.454 5.886 -11.022 1.00 2.43 H new ATOM 0 HG11 VAL A 89 4.309 3.608 -11.658 1.00 31.42 H new ATOM 0 HG12 VAL A 89 5.370 4.903 -12.261 1.00 31.42 H new ATOM 0 HG13 VAL A 89 5.837 3.969 -10.820 1.00 31.42 H new ATOM 0 HG21 VAL A 89 3.019 3.878 -9.629 1.00 3.11 H new ATOM 0 HG22 VAL A 89 4.493 4.224 -8.694 1.00 3.11 H new ATOM 0 HG23 VAL A 89 3.125 5.362 -8.652 1.00 3.11 H new ATOM 1442 N THR A 90 3.667 8.115 -8.947 1.00 21.45 N ATOM 1443 CA THR A 90 3.098 9.423 -8.617 1.00 11.03 C ATOM 1444 C THR A 90 4.214 10.458 -8.416 1.00 41.42 C ATOM 1445 O THR A 90 4.247 11.465 -9.129 1.00 63.41 O ATOM 1446 CB THR A 90 2.084 9.309 -7.453 1.00 45.01 C ATOM 1447 OG1 THR A 90 1.578 10.569 -7.066 1.00 32.23 O ATOM 1448 CG2 THR A 90 2.591 8.566 -6.205 1.00 61.42 C ATOM 0 H THR A 90 3.284 7.352 -8.389 1.00 21.45 H new ATOM 0 HA THR A 90 2.511 9.797 -9.456 1.00 11.03 H new ATOM 0 HB THR A 90 1.289 8.696 -7.876 1.00 45.01 H new ATOM 0 HG1 THR A 90 0.941 10.454 -6.331 1.00 32.23 H new ATOM 0 HG21 THR A 90 1.804 8.543 -5.451 1.00 61.42 H new ATOM 0 HG22 THR A 90 2.865 7.546 -6.475 1.00 61.42 H new ATOM 0 HG23 THR A 90 3.463 9.082 -5.804 1.00 61.42 H new ATOM 1456 N HIS A 91 5.176 10.172 -7.530 1.00 4.13 N ATOM 1457 CA HIS A 91 6.338 11.031 -7.308 1.00 32.24 C ATOM 1458 C HIS A 91 7.503 10.757 -8.277 1.00 40.43 C ATOM 1459 O HIS A 91 8.411 11.583 -8.370 1.00 43.21 O ATOM 1460 CB HIS A 91 6.826 10.895 -5.857 1.00 71.42 C ATOM 1461 CG HIS A 91 7.304 12.207 -5.286 1.00 73.12 C ATOM 1462 ND1 HIS A 91 8.328 12.976 -5.790 1.00 1.30 N ATOM 1463 CD2 HIS A 91 6.879 12.793 -4.123 1.00 13.33 C ATOM 1464 CE1 HIS A 91 8.558 13.967 -4.912 1.00 11.03 C ATOM 1465 NE2 HIS A 91 7.704 13.894 -3.873 1.00 4.35 N ATOM 0 H HIS A 91 5.167 9.335 -6.947 1.00 4.13 H new ATOM 0 HA HIS A 91 6.005 12.050 -7.503 1.00 32.24 H new ATOM 0 HB2 HIS A 91 6.016 10.506 -5.239 1.00 71.42 H new ATOM 0 HB3 HIS A 91 7.636 10.167 -5.816 1.00 71.42 H new ATOM 0 HD1 HIS A 91 8.822 12.822 -6.669 1.00 1.30 H new ATOM 0 HD2 HIS A 91 6.054 12.463 -3.509 1.00 13.33 H new ATOM 0 HE1 HIS A 91 9.324 14.720 -5.024 1.00 11.03 H new ATOM 1473 N GLY A 92 7.501 9.617 -8.979 1.00 1.41 N ATOM 1474 CA GLY A 92 8.509 9.272 -9.983 1.00 21.44 C ATOM 1475 C GLY A 92 9.867 8.865 -9.395 1.00 72.24 C ATOM 1476 O GLY A 92 10.888 9.076 -10.051 1.00 3.13 O ATOM 0 H GLY A 92 6.787 8.899 -8.862 1.00 1.41 H new ATOM 0 HA2 GLY A 92 8.131 8.454 -10.596 1.00 21.44 H new ATOM 0 HA3 GLY A 92 8.653 10.126 -10.645 1.00 21.44 H new ATOM 1480 N PHE A 93 9.900 8.331 -8.169 1.00 33.44 N ATOM 1481 CA PHE A 93 11.148 7.889 -7.538 1.00 35.41 C ATOM 1482 C PHE A 93 11.675 6.627 -8.222 1.00 20.54 C ATOM 1483 O PHE A 93 10.885 5.821 -8.718 1.00 22.51 O ATOM 1484 CB PHE A 93 10.905 7.590 -6.054 1.00 73.35 C ATOM 1485 CG PHE A 93 10.524 8.781 -5.201 1.00 15.21 C ATOM 1486 CD1 PHE A 93 11.015 10.061 -5.505 1.00 11.05 C ATOM 1487 CD2 PHE A 93 9.677 8.620 -4.090 1.00 2.04 C ATOM 1488 CE1 PHE A 93 10.614 11.166 -4.755 1.00 52.44 C ATOM 1489 CE2 PHE A 93 9.249 9.730 -3.347 1.00 5.31 C ATOM 1490 CZ PHE A 93 9.702 11.011 -3.696 1.00 74.43 C ATOM 0 H PHE A 93 9.071 8.194 -7.591 1.00 33.44 H new ATOM 0 HA PHE A 93 11.885 8.686 -7.638 1.00 35.41 H new ATOM 0 HB2 PHE A 93 10.115 6.843 -5.977 1.00 73.35 H new ATOM 0 HB3 PHE A 93 11.808 7.143 -5.639 1.00 73.35 H new ATOM 0 HD1 PHE A 93 11.707 10.190 -6.324 1.00 11.05 H new ATOM 0 HD2 PHE A 93 9.352 7.630 -3.806 1.00 2.04 H new ATOM 0 HE1 PHE A 93 11.006 12.145 -4.988 1.00 52.44 H new ATOM 0 HE2 PHE A 93 8.576 9.599 -2.513 1.00 5.31 H new ATOM 0 HZ PHE A 93 9.351 11.876 -3.153 1.00 74.43 H new ATOM 1500 N ASN A 94 12.989 6.397 -8.162 1.00 45.25 N ATOM 1501 CA ASN A 94 13.555 5.099 -8.523 1.00 12.32 C ATOM 1502 C ASN A 94 13.366 4.099 -7.386 1.00 2.34 C ATOM 1503 O ASN A 94 12.974 4.456 -6.273 1.00 41.34 O ATOM 1504 CB ASN A 94 15.032 5.213 -8.931 1.00 23.43 C ATOM 1505 CG ASN A 94 15.256 5.980 -10.230 1.00 42.44 C ATOM 1506 OD1 ASN A 94 16.221 6.724 -10.358 1.00 1.20 O ATOM 1507 ND2 ASN A 94 14.420 5.810 -11.245 1.00 4.12 N ATOM 0 H ASN A 94 13.677 7.091 -7.868 1.00 45.25 H new ATOM 0 HA ASN A 94 13.015 4.730 -9.395 1.00 12.32 H new ATOM 0 HB2 ASN A 94 15.583 5.705 -8.130 1.00 23.43 H new ATOM 0 HB3 ASN A 94 15.448 4.211 -9.035 1.00 23.43 H new ATOM 0 HD21 ASN A 94 14.582 6.297 -12.126 1.00 4.12 H new ATOM 0 HD22 ASN A 94 13.615 5.192 -11.145 1.00 4.12 H new ATOM 1514 N LEU A 95 13.672 2.828 -7.662 1.00 53.23 N ATOM 1515 CA LEU A 95 13.377 1.691 -6.788 1.00 15.00 C ATOM 1516 C LEU A 95 14.110 1.767 -5.442 1.00 52.32 C ATOM 1517 O LEU A 95 13.692 1.118 -4.489 1.00 40.22 O ATOM 1518 CB LEU A 95 13.710 0.395 -7.567 1.00 32.31 C ATOM 1519 CG LEU A 95 13.004 -0.934 -7.203 1.00 41.12 C ATOM 1520 CD1 LEU A 95 13.807 -1.787 -6.221 1.00 53.15 C ATOM 1521 CD2 LEU A 95 11.555 -0.774 -6.727 1.00 32.41 C ATOM 0 H LEU A 95 14.145 2.555 -8.524 1.00 53.23 H new ATOM 0 HA LEU A 95 12.319 1.704 -6.524 1.00 15.00 H new ATOM 0 HB2 LEU A 95 13.509 0.590 -8.620 1.00 32.31 H new ATOM 0 HB3 LEU A 95 14.783 0.228 -7.473 1.00 32.31 H new ATOM 0 HG LEU A 95 12.956 -1.469 -8.152 1.00 41.12 H new ATOM 0 HD11 LEU A 95 13.260 -2.705 -6.005 1.00 53.15 H new ATOM 0 HD12 LEU A 95 14.773 -2.035 -6.660 1.00 53.15 H new ATOM 0 HD13 LEU A 95 13.961 -1.230 -5.297 1.00 53.15 H new ATOM 0 HD21 LEU A 95 11.138 -1.754 -6.494 1.00 32.41 H new ATOM 0 HD22 LEU A 95 11.532 -0.148 -5.835 1.00 32.41 H new ATOM 0 HD23 LEU A 95 10.963 -0.306 -7.514 1.00 32.41 H new ATOM 1533 N GLU A 96 15.176 2.567 -5.338 1.00 12.04 N ATOM 1534 CA GLU A 96 15.930 2.741 -4.104 1.00 24.11 C ATOM 1535 C GLU A 96 15.241 3.789 -3.229 1.00 2.22 C ATOM 1536 O GLU A 96 15.037 3.604 -2.030 1.00 34.43 O ATOM 1537 CB GLU A 96 17.353 3.174 -4.484 1.00 0.30 C ATOM 1538 CG GLU A 96 18.305 3.121 -3.288 1.00 24.11 C ATOM 1539 CD GLU A 96 19.291 4.287 -3.256 1.00 64.11 C ATOM 1540 OE1 GLU A 96 20.099 4.453 -4.199 1.00 11.32 O ATOM 1541 OE2 GLU A 96 19.342 4.971 -2.216 1.00 0.34 O ATOM 0 H GLU A 96 15.539 3.115 -6.118 1.00 12.04 H new ATOM 0 HA GLU A 96 15.975 1.814 -3.533 1.00 24.11 H new ATOM 0 HB2 GLU A 96 17.730 2.527 -5.276 1.00 0.30 H new ATOM 0 HB3 GLU A 96 17.329 4.188 -4.884 1.00 0.30 H new ATOM 0 HG2 GLU A 96 17.722 3.120 -2.367 1.00 24.11 H new ATOM 0 HG3 GLU A 96 18.861 2.184 -3.314 1.00 24.11 H new ATOM 1548 N GLU A 97 14.839 4.891 -3.850 1.00 51.43 N ATOM 1549 CA GLU A 97 14.183 6.007 -3.197 1.00 42.43 C ATOM 1550 C GLU A 97 12.786 5.596 -2.731 1.00 13.03 C ATOM 1551 O GLU A 97 12.387 5.911 -1.603 1.00 31.10 O ATOM 1552 CB GLU A 97 14.200 7.180 -4.187 1.00 73.42 C ATOM 1553 CG GLU A 97 15.590 7.835 -4.177 1.00 44.51 C ATOM 1554 CD GLU A 97 15.815 8.766 -2.974 1.00 75.44 C ATOM 1555 OE1 GLU A 97 15.038 8.711 -2.000 1.00 4.00 O ATOM 1556 OE2 GLU A 97 16.827 9.508 -2.958 1.00 3.52 O ATOM 0 H GLU A 97 14.966 5.033 -4.852 1.00 51.43 H new ATOM 0 HA GLU A 97 14.699 6.322 -2.290 1.00 42.43 H new ATOM 0 HB2 GLU A 97 13.959 6.828 -5.190 1.00 73.42 H new ATOM 0 HB3 GLU A 97 13.439 7.911 -3.915 1.00 73.42 H new ATOM 0 HG2 GLU A 97 16.351 7.055 -4.171 1.00 44.51 H new ATOM 0 HG3 GLU A 97 15.723 8.404 -5.097 1.00 44.51 H new ATOM 1563 N ALA A 98 12.101 4.784 -3.541 1.00 14.05 N ATOM 1564 CA ALA A 98 10.884 4.074 -3.168 1.00 45.01 C ATOM 1565 C ALA A 98 11.055 3.187 -1.927 1.00 41.35 C ATOM 1566 O ALA A 98 10.061 2.853 -1.279 1.00 24.11 O ATOM 1567 CB ALA A 98 10.456 3.199 -4.349 1.00 15.01 C ATOM 0 H ALA A 98 12.390 4.600 -4.502 1.00 14.05 H new ATOM 0 HA ALA A 98 10.131 4.822 -2.921 1.00 45.01 H new ATOM 0 HB1 ALA A 98 9.546 2.658 -4.090 1.00 15.01 H new ATOM 0 HB2 ALA A 98 10.269 3.828 -5.219 1.00 15.01 H new ATOM 0 HB3 ALA A 98 11.248 2.487 -4.580 1.00 15.01 H new ATOM 1573 N ALA A 99 12.282 2.774 -1.602 1.00 22.22 N ATOM 1574 CA ALA A 99 12.574 1.884 -0.490 1.00 62.31 C ATOM 1575 C ALA A 99 12.745 2.673 0.807 1.00 1.32 C ATOM 1576 O ALA A 99 12.132 2.323 1.823 1.00 54.21 O ATOM 1577 CB ALA A 99 13.783 1.010 -0.848 1.00 60.12 C ATOM 0 H ALA A 99 13.114 3.058 -2.119 1.00 22.22 H new ATOM 0 HA ALA A 99 11.734 1.213 -0.311 1.00 62.31 H new ATOM 0 HB1 ALA A 99 14.007 0.340 -0.017 1.00 60.12 H new ATOM 0 HB2 ALA A 99 13.556 0.422 -1.737 1.00 60.12 H new ATOM 0 HB3 ALA A 99 14.646 1.646 -1.044 1.00 60.12 H new ATOM 1583 N ARG A 100 13.493 3.789 0.797 1.00 25.41 N ATOM 1584 CA ARG A 100 13.607 4.605 2.009 1.00 34.33 C ATOM 1585 C ARG A 100 12.245 5.180 2.409 1.00 35.15 C ATOM 1586 O ARG A 100 11.965 5.308 3.606 1.00 1.12 O ATOM 1587 CB ARG A 100 14.697 5.681 1.907 1.00 52.03 C ATOM 1588 CG ARG A 100 14.410 6.779 0.875 1.00 22.45 C ATOM 1589 CD ARG A 100 15.261 8.027 1.123 1.00 42.04 C ATOM 1590 NE ARG A 100 14.429 9.243 1.090 1.00 3.43 N ATOM 1591 CZ ARG A 100 14.810 10.461 0.691 1.00 33.31 C ATOM 1592 NH1 ARG A 100 16.082 10.722 0.421 1.00 53.02 N ATOM 1593 NH2 ARG A 100 13.896 11.424 0.602 1.00 71.14 N ATOM 0 H ARG A 100 14.011 4.136 -0.010 1.00 25.41 H new ATOM 0 HA ARG A 100 13.934 3.945 2.812 1.00 34.33 H new ATOM 0 HB2 ARG A 100 14.826 6.144 2.885 1.00 52.03 H new ATOM 0 HB3 ARG A 100 15.642 5.200 1.655 1.00 52.03 H new ATOM 0 HG2 ARG A 100 14.608 6.397 -0.127 1.00 22.45 H new ATOM 0 HG3 ARG A 100 13.354 7.046 0.912 1.00 22.45 H new ATOM 0 HD2 ARG A 100 15.758 7.947 2.090 1.00 42.04 H new ATOM 0 HD3 ARG A 100 16.043 8.095 0.367 1.00 42.04 H new ATOM 0 HE ARG A 100 13.463 9.145 1.404 1.00 3.43 H new ATOM 0 HH11 ARG A 100 16.785 9.989 0.517 1.00 53.02 H new ATOM 0 HH12 ARG A 100 16.358 11.656 0.118 1.00 53.02 H new ATOM 0 HH21 ARG A 100 12.923 11.227 0.836 1.00 71.14 H new ATOM 0 HH22 ARG A 100 14.168 12.359 0.299 1.00 71.14 H new ATOM 1607 N CYS A 101 11.378 5.465 1.430 1.00 3.30 N ATOM 1608 CA CYS A 101 10.018 5.928 1.661 1.00 61.52 C ATOM 1609 C CYS A 101 9.137 4.905 2.368 1.00 52.01 C ATOM 1610 O CYS A 101 8.062 5.306 2.799 1.00 74.31 O ATOM 1611 CB CYS A 101 9.348 6.317 0.337 1.00 53.34 C ATOM 1612 SG CYS A 101 9.728 8.039 -0.071 1.00 60.45 S ATOM 0 H CYS A 101 11.612 5.377 0.441 1.00 3.30 H new ATOM 0 HA CYS A 101 10.112 6.793 2.317 1.00 61.52 H new ATOM 0 HB2 CYS A 101 9.695 5.661 -0.461 1.00 53.34 H new ATOM 0 HB3 CYS A 101 8.269 6.183 0.413 1.00 53.34 H new ATOM 0 HG CYS A 101 9.448 8.261 -1.321 1.00 60.45 H new ATOM 1618 N MET A 102 9.524 3.634 2.497 1.00 63.55 N ATOM 1619 CA MET A 102 8.706 2.624 3.168 1.00 40.33 C ATOM 1620 C MET A 102 9.305 2.270 4.526 1.00 72.25 C ATOM 1621 O MET A 102 8.588 2.289 5.529 1.00 53.12 O ATOM 1622 CB MET A 102 8.509 1.408 2.252 1.00 33.12 C ATOM 1623 CG MET A 102 7.646 1.754 1.024 1.00 60.32 C ATOM 1624 SD MET A 102 6.015 2.490 1.311 1.00 22.30 S ATOM 1625 CE MET A 102 5.070 0.994 1.686 1.00 72.14 C ATOM 0 H MET A 102 10.411 3.278 2.140 1.00 63.55 H new ATOM 0 HA MET A 102 7.713 3.026 3.368 1.00 40.33 H new ATOM 0 HB2 MET A 102 9.480 1.040 1.922 1.00 33.12 H new ATOM 0 HB3 MET A 102 8.036 0.602 2.814 1.00 33.12 H new ATOM 0 HG2 MET A 102 8.216 2.440 0.398 1.00 60.32 H new ATOM 0 HG3 MET A 102 7.503 0.840 0.448 1.00 60.32 H new ATOM 0 HE1 MET A 102 4.105 1.270 2.111 1.00 72.14 H new ATOM 0 HE2 MET A 102 4.913 0.424 0.770 1.00 72.14 H new ATOM 0 HE3 MET A 102 5.621 0.385 2.403 1.00 72.14 H new ATOM 1635 N ARG A 103 10.622 2.037 4.611 1.00 42.35 N ATOM 1636 CA ARG A 103 11.251 1.672 5.889 1.00 52.44 C ATOM 1637 C ARG A 103 11.061 2.727 6.977 1.00 21.42 C ATOM 1638 O ARG A 103 11.048 2.380 8.159 1.00 74.24 O ATOM 1639 CB ARG A 103 12.741 1.349 5.700 1.00 60.41 C ATOM 1640 CG ARG A 103 13.620 2.576 5.403 1.00 34.44 C ATOM 1641 CD ARG A 103 15.046 2.108 5.115 1.00 25.32 C ATOM 1642 NE ARG A 103 15.977 3.200 4.781 1.00 4.13 N ATOM 1643 CZ ARG A 103 16.804 3.814 5.636 1.00 1.02 C ATOM 1644 NH1 ARG A 103 16.595 3.768 6.946 1.00 11.20 N ATOM 1645 NH2 ARG A 103 17.842 4.490 5.162 1.00 62.14 N ATOM 0 H ARG A 103 11.266 2.093 3.822 1.00 42.35 H new ATOM 0 HA ARG A 103 10.737 0.775 6.234 1.00 52.44 H new ATOM 0 HB2 ARG A 103 13.112 0.860 6.601 1.00 60.41 H new ATOM 0 HB3 ARG A 103 12.846 0.635 4.883 1.00 60.41 H new ATOM 0 HG2 ARG A 103 13.224 3.125 4.549 1.00 34.44 H new ATOM 0 HG3 ARG A 103 13.612 3.259 6.252 1.00 34.44 H new ATOM 0 HD2 ARG A 103 15.426 1.574 5.986 1.00 25.32 H new ATOM 0 HD3 ARG A 103 15.025 1.397 4.289 1.00 25.32 H new ATOM 0 HE ARG A 103 15.993 3.516 3.811 1.00 4.13 H new ATOM 0 HH11 ARG A 103 15.793 3.258 7.317 1.00 11.20 H new ATOM 0 HH12 ARG A 103 17.236 4.242 7.582 1.00 11.20 H new ATOM 0 HH21 ARG A 103 18.003 4.538 4.156 1.00 62.14 H new ATOM 0 HH22 ARG A 103 18.479 4.962 5.804 1.00 62.14 H new ATOM 1659 N SER A 104 10.938 4.002 6.593 1.00 74.55 N ATOM 1660 CA SER A 104 10.819 5.130 7.511 1.00 15.22 C ATOM 1661 C SER A 104 9.477 5.159 8.265 1.00 51.04 C ATOM 1662 O SER A 104 9.331 5.927 9.222 1.00 60.43 O ATOM 1663 CB SER A 104 11.064 6.428 6.734 1.00 31.45 C ATOM 1664 OG SER A 104 12.332 6.366 6.096 1.00 1.02 O ATOM 0 H SER A 104 10.918 4.280 5.612 1.00 74.55 H new ATOM 0 HA SER A 104 11.576 5.019 8.287 1.00 15.22 H new ATOM 0 HB2 SER A 104 10.279 6.574 5.992 1.00 31.45 H new ATOM 0 HB3 SER A 104 11.027 7.282 7.410 1.00 31.45 H new ATOM 0 HG SER A 104 12.228 5.987 5.198 1.00 1.02 H new ATOM 1670 N LEU A 105 8.501 4.339 7.856 1.00 42.35 N ATOM 1671 CA LEU A 105 7.270 4.096 8.595 1.00 34.40 C ATOM 1672 C LEU A 105 7.603 3.307 9.860 1.00 63.15 C ATOM 1673 O LEU A 105 8.380 2.357 9.796 1.00 42.51 O ATOM 1674 CB LEU A 105 6.322 3.296 7.684 1.00 65.35 C ATOM 1675 CG LEU A 105 4.918 3.018 8.237 1.00 22.53 C ATOM 1676 CD1 LEU A 105 4.137 4.279 8.596 1.00 3.52 C ATOM 1677 CD2 LEU A 105 4.125 2.244 7.181 1.00 5.45 C ATOM 0 H LEU A 105 8.553 3.817 6.981 1.00 42.35 H new ATOM 0 HA LEU A 105 6.789 5.030 8.886 1.00 34.40 H new ATOM 0 HB2 LEU A 105 6.218 3.835 6.742 1.00 65.35 H new ATOM 0 HB3 LEU A 105 6.794 2.341 7.454 1.00 65.35 H new ATOM 0 HG LEU A 105 5.048 2.451 9.159 1.00 22.53 H new ATOM 0 HD11 LEU A 105 3.155 4.002 8.980 1.00 3.52 H new ATOM 0 HD12 LEU A 105 4.680 4.839 9.358 1.00 3.52 H new ATOM 0 HD13 LEU A 105 4.018 4.898 7.707 1.00 3.52 H new ATOM 0 HD21 LEU A 105 3.123 2.037 7.557 1.00 5.45 H new ATOM 0 HD22 LEU A 105 4.055 2.839 6.270 1.00 5.45 H new ATOM 0 HD23 LEU A 105 4.631 1.304 6.962 1.00 5.45 H new ATOM 1689 N LYS A 106 7.011 3.671 11.002 1.00 5.01 N ATOM 1690 CA LYS A 106 7.142 2.873 12.220 1.00 54.31 C ATOM 1691 C LYS A 106 6.449 1.528 12.040 1.00 21.24 C ATOM 1692 O LYS A 106 7.057 0.500 12.335 1.00 32.23 O ATOM 1693 CB LYS A 106 6.542 3.606 13.427 1.00 74.23 C ATOM 1694 CG LYS A 106 7.477 4.661 14.035 1.00 1.10 C ATOM 1695 CD LYS A 106 8.448 4.031 15.042 1.00 0.30 C ATOM 1696 CE LYS A 106 9.291 5.123 15.711 1.00 40.24 C ATOM 1697 NZ LYS A 106 10.063 4.604 16.856 1.00 32.43 N ATOM 0 H LYS A 106 6.440 4.509 11.106 1.00 5.01 H new ATOM 0 HA LYS A 106 8.204 2.713 12.407 1.00 54.31 H new ATOM 0 HB2 LYS A 106 5.613 4.088 13.123 1.00 74.23 H new ATOM 0 HB3 LYS A 106 6.285 2.875 14.194 1.00 74.23 H new ATOM 0 HG2 LYS A 106 8.040 5.151 13.241 1.00 1.10 H new ATOM 0 HG3 LYS A 106 6.886 5.432 14.530 1.00 1.10 H new ATOM 0 HD2 LYS A 106 7.892 3.475 15.797 1.00 0.30 H new ATOM 0 HD3 LYS A 106 9.098 3.317 14.536 1.00 0.30 H new ATOM 0 HE2 LYS A 106 9.974 5.553 14.979 1.00 40.24 H new ATOM 0 HE3 LYS A 106 8.639 5.928 16.049 1.00 40.24 H new ATOM 0 HZ1 LYS A 106 10.618 5.375 17.278 1.00 32.43 H new ATOM 0 HZ2 LYS A 106 9.411 4.217 17.568 1.00 32.43 H new ATOM 0 HZ3 LYS A 106 10.705 3.853 16.530 1.00 32.43 H new ATOM 1711 N ALA A 107 5.184 1.545 11.619 1.00 41.41 N ATOM 1712 CA ALA A 107 4.402 0.335 11.434 1.00 13.24 C ATOM 1713 C ALA A 107 5.046 -0.553 10.364 1.00 43.42 C ATOM 1714 O ALA A 107 5.587 -0.029 9.380 1.00 23.34 O ATOM 1715 CB ALA A 107 2.969 0.715 11.050 1.00 35.20 C ATOM 0 H ALA A 107 4.677 2.402 11.398 1.00 41.41 H new ATOM 0 HA ALA A 107 4.376 -0.233 12.364 1.00 13.24 H new ATOM 0 HB1 ALA A 107 2.378 -0.190 10.910 1.00 35.20 H new ATOM 0 HB2 ALA A 107 2.527 1.318 11.844 1.00 35.20 H new ATOM 0 HB3 ALA A 107 2.981 1.288 10.123 1.00 35.20 H new ATOM 1721 N PRO A 108 4.984 -1.883 10.515 1.00 2.15 N ATOM 1722 CA PRO A 108 5.531 -2.784 9.524 1.00 20.52 C ATOM 1723 C PRO A 108 4.619 -2.803 8.297 1.00 41.52 C ATOM 1724 O PRO A 108 3.396 -2.865 8.423 1.00 41.43 O ATOM 1725 CB PRO A 108 5.622 -4.139 10.224 1.00 54.12 C ATOM 1726 CG PRO A 108 4.488 -4.096 11.247 1.00 64.42 C ATOM 1727 CD PRO A 108 4.432 -2.623 11.643 1.00 11.25 C ATOM 0 HA PRO A 108 6.514 -2.487 9.158 1.00 20.52 H new ATOM 0 HB2 PRO A 108 5.496 -4.962 9.521 1.00 54.12 H new ATOM 0 HB3 PRO A 108 6.590 -4.277 10.705 1.00 54.12 H new ATOM 0 HG2 PRO A 108 3.545 -4.434 10.817 1.00 64.42 H new ATOM 0 HG3 PRO A 108 4.695 -4.736 12.105 1.00 64.42 H new ATOM 0 HD2 PRO A 108 3.408 -2.313 11.849 1.00 11.25 H new ATOM 0 HD3 PRO A 108 5.009 -2.440 12.550 1.00 11.25 H new ATOM 1735 N ALA A 109 5.208 -2.771 7.104 1.00 71.21 N ATOM 1736 CA ALA A 109 4.507 -2.946 5.850 1.00 1.42 C ATOM 1737 C ALA A 109 5.080 -4.200 5.213 1.00 44.21 C ATOM 1738 O ALA A 109 6.299 -4.334 5.060 1.00 2.32 O ATOM 1739 CB ALA A 109 4.684 -1.717 4.949 1.00 53.35 C ATOM 0 H ALA A 109 6.210 -2.619 6.988 1.00 71.21 H new ATOM 0 HA ALA A 109 3.433 -3.052 6.004 1.00 1.42 H new ATOM 0 HB1 ALA A 109 4.148 -1.872 4.013 1.00 53.35 H new ATOM 0 HB2 ALA A 109 4.286 -0.836 5.453 1.00 53.35 H new ATOM 0 HB3 ALA A 109 5.743 -1.568 4.740 1.00 53.35 H new ATOM 1745 N VAL A 110 4.210 -5.123 4.843 1.00 24.54 N ATOM 1746 CA VAL A 110 4.482 -6.059 3.766 1.00 72.53 C ATOM 1747 C VAL A 110 4.507 -5.209 2.489 1.00 63.42 C ATOM 1748 O VAL A 110 3.684 -4.299 2.334 1.00 25.45 O ATOM 1749 CB VAL A 110 3.408 -7.165 3.770 1.00 13.01 C ATOM 1750 CG1 VAL A 110 3.581 -8.179 2.635 1.00 14.42 C ATOM 1751 CG2 VAL A 110 3.423 -7.932 5.101 1.00 54.12 C ATOM 0 H VAL A 110 3.296 -5.245 5.280 1.00 24.54 H new ATOM 0 HA VAL A 110 5.432 -6.585 3.863 1.00 72.53 H new ATOM 0 HB VAL A 110 2.458 -6.650 3.628 1.00 13.01 H new ATOM 0 HG11 VAL A 110 2.793 -8.930 2.695 1.00 14.42 H new ATOM 0 HG12 VAL A 110 3.520 -7.665 1.676 1.00 14.42 H new ATOM 0 HG13 VAL A 110 4.553 -8.664 2.726 1.00 14.42 H new ATOM 0 HG21 VAL A 110 2.658 -8.708 5.083 1.00 54.12 H new ATOM 0 HG22 VAL A 110 4.401 -8.391 5.246 1.00 54.12 H new ATOM 0 HG23 VAL A 110 3.221 -7.242 5.921 1.00 54.12 H new ATOM 1761 N VAL A 111 5.462 -5.458 1.594 1.00 32.13 N ATOM 1762 CA VAL A 111 5.658 -4.646 0.391 1.00 31.31 C ATOM 1763 C VAL A 111 5.713 -5.590 -0.812 1.00 12.40 C ATOM 1764 O VAL A 111 6.196 -6.710 -0.671 1.00 74.11 O ATOM 1765 CB VAL A 111 6.910 -3.745 0.535 1.00 60.21 C ATOM 1766 CG1 VAL A 111 7.055 -2.786 -0.657 1.00 4.12 C ATOM 1767 CG2 VAL A 111 6.870 -2.883 1.808 1.00 31.12 C ATOM 0 H VAL A 111 6.123 -6.230 1.682 1.00 32.13 H new ATOM 0 HA VAL A 111 4.827 -3.956 0.241 1.00 31.31 H new ATOM 0 HB VAL A 111 7.754 -4.433 0.582 1.00 60.21 H new ATOM 0 HG11 VAL A 111 7.944 -2.170 -0.522 1.00 4.12 H new ATOM 0 HG12 VAL A 111 7.149 -3.362 -1.578 1.00 4.12 H new ATOM 0 HG13 VAL A 111 6.175 -2.146 -0.718 1.00 4.12 H new ATOM 0 HG21 VAL A 111 7.770 -2.270 1.861 1.00 31.12 H new ATOM 0 HG22 VAL A 111 5.992 -2.237 1.783 1.00 31.12 H new ATOM 0 HG23 VAL A 111 6.819 -3.530 2.684 1.00 31.12 H new ATOM 1777 N SER A 112 5.274 -5.168 -2.001 1.00 14.14 N ATOM 1778 CA SER A 112 5.458 -5.955 -3.220 1.00 12.24 C ATOM 1779 C SER A 112 6.434 -5.285 -4.185 1.00 45.33 C ATOM 1780 O SER A 112 6.638 -4.071 -4.122 1.00 13.31 O ATOM 1781 CB SER A 112 4.108 -6.231 -3.886 1.00 1.42 C ATOM 1782 OG SER A 112 3.410 -5.038 -4.201 1.00 43.34 O ATOM 0 H SER A 112 4.787 -4.283 -2.144 1.00 14.14 H new ATOM 0 HA SER A 112 5.901 -6.911 -2.940 1.00 12.24 H new ATOM 0 HB2 SER A 112 4.266 -6.808 -4.797 1.00 1.42 H new ATOM 0 HB3 SER A 112 3.496 -6.843 -3.223 1.00 1.42 H new ATOM 0 HG SER A 112 2.555 -5.261 -4.626 1.00 43.34 H new ATOM 1788 N VAL A 113 6.936 -6.053 -5.150 1.00 11.04 N ATOM 1789 CA VAL A 113 7.569 -5.583 -6.381 1.00 3.02 C ATOM 1790 C VAL A 113 6.942 -6.321 -7.565 1.00 3.52 C ATOM 1791 O VAL A 113 6.155 -7.257 -7.370 1.00 2.34 O ATOM 1792 CB VAL A 113 9.090 -5.826 -6.350 1.00 61.42 C ATOM 1793 CG1 VAL A 113 9.820 -4.829 -5.443 1.00 11.20 C ATOM 1794 CG2 VAL A 113 9.440 -7.250 -5.903 1.00 34.31 C ATOM 0 H VAL A 113 6.911 -7.071 -5.092 1.00 11.04 H new ATOM 0 HA VAL A 113 7.408 -4.509 -6.479 1.00 3.02 H new ATOM 0 HB VAL A 113 9.426 -5.682 -7.377 1.00 61.42 H new ATOM 0 HG11 VAL A 113 10.889 -5.042 -5.455 1.00 11.20 H new ATOM 0 HG12 VAL A 113 9.648 -3.815 -5.804 1.00 11.20 H new ATOM 0 HG13 VAL A 113 9.443 -4.920 -4.424 1.00 11.20 H new ATOM 0 HG21 VAL A 113 10.523 -7.374 -5.897 1.00 34.31 H new ATOM 0 HG22 VAL A 113 9.049 -7.423 -4.900 1.00 34.31 H new ATOM 0 HG23 VAL A 113 8.997 -7.967 -6.594 1.00 34.31 H new ATOM 1804 N SER A 114 7.312 -5.941 -8.792 1.00 63.33 N ATOM 1805 CA SER A 114 6.810 -6.583 -9.979 1.00 3.32 C ATOM 1806 C SER A 114 7.204 -8.056 -10.045 1.00 72.43 C ATOM 1807 O SER A 114 6.389 -8.904 -10.404 1.00 2.21 O ATOM 1808 CB SER A 114 7.255 -5.792 -11.219 1.00 2.20 C ATOM 1809 OG SER A 114 8.554 -6.148 -11.662 1.00 32.44 O ATOM 0 H SER A 114 7.967 -5.180 -8.975 1.00 63.33 H new ATOM 0 HA SER A 114 5.720 -6.578 -9.948 1.00 3.32 H new ATOM 0 HB2 SER A 114 6.542 -5.960 -12.026 1.00 2.20 H new ATOM 0 HB3 SER A 114 7.233 -4.726 -10.991 1.00 2.20 H new ATOM 0 HG SER A 114 8.787 -5.618 -12.453 1.00 32.44 H new ATOM 1815 N SER A 115 8.467 -8.347 -9.745 1.00 3.11 N ATOM 1816 CA SER A 115 9.154 -9.557 -10.152 1.00 4.11 C ATOM 1817 C SER A 115 10.115 -9.957 -9.030 1.00 21.31 C ATOM 1818 O SER A 115 10.704 -9.067 -8.409 1.00 25.15 O ATOM 1819 CB SER A 115 9.934 -9.243 -11.432 1.00 51.21 C ATOM 1820 OG SER A 115 9.101 -8.776 -12.478 1.00 34.13 O ATOM 0 H SER A 115 9.055 -7.722 -9.193 1.00 3.11 H new ATOM 0 HA SER A 115 8.457 -10.374 -10.339 1.00 4.11 H new ATOM 0 HB2 SER A 115 10.694 -8.492 -11.215 1.00 51.21 H new ATOM 0 HB3 SER A 115 10.458 -10.140 -11.763 1.00 51.21 H new ATOM 0 HG SER A 115 8.852 -7.844 -12.306 1.00 34.13 H new ATOM 1826 N PRO A 116 10.320 -11.259 -8.781 1.00 64.53 N ATOM 1827 CA PRO A 116 10.851 -11.761 -7.521 1.00 4.04 C ATOM 1828 C PRO A 116 12.277 -11.310 -7.252 1.00 33.22 C ATOM 1829 O PRO A 116 12.668 -11.175 -6.096 1.00 54.02 O ATOM 1830 CB PRO A 116 10.775 -13.284 -7.605 1.00 60.21 C ATOM 1831 CG PRO A 116 10.692 -13.576 -9.093 1.00 31.23 C ATOM 1832 CD PRO A 116 9.956 -12.361 -9.648 1.00 54.51 C ATOM 0 HA PRO A 116 10.266 -11.364 -6.692 1.00 4.04 H new ATOM 0 HB2 PRO A 116 11.652 -13.751 -7.157 1.00 60.21 H new ATOM 0 HB3 PRO A 116 9.903 -13.668 -7.075 1.00 60.21 H new ATOM 0 HG2 PRO A 116 11.681 -13.685 -9.537 1.00 31.23 H new ATOM 0 HG3 PRO A 116 10.150 -14.500 -9.292 1.00 31.23 H new ATOM 0 HD2 PRO A 116 10.248 -12.162 -10.679 1.00 54.51 H new ATOM 0 HD3 PRO A 116 8.878 -12.521 -9.648 1.00 54.51 H new ATOM 1840 N ASP A 117 13.069 -11.066 -8.290 1.00 2.24 N ATOM 1841 CA ASP A 117 14.480 -10.729 -8.121 1.00 52.43 C ATOM 1842 C ASP A 117 14.636 -9.456 -7.288 1.00 40.41 C ATOM 1843 O ASP A 117 15.532 -9.373 -6.446 1.00 44.23 O ATOM 1844 CB ASP A 117 15.201 -10.603 -9.475 1.00 1.10 C ATOM 1845 CG ASP A 117 14.996 -11.810 -10.397 1.00 4.13 C ATOM 1846 OD1 ASP A 117 14.790 -12.943 -9.921 1.00 53.34 O ATOM 1847 OD2 ASP A 117 14.954 -11.601 -11.639 1.00 64.11 O ATOM 0 H ASP A 117 12.758 -11.095 -9.261 1.00 2.24 H new ATOM 0 HA ASP A 117 14.954 -11.548 -7.581 1.00 52.43 H new ATOM 0 HB2 ASP A 117 14.848 -9.705 -9.982 1.00 1.10 H new ATOM 0 HB3 ASP A 117 16.268 -10.470 -9.297 1.00 1.10 H new ATOM 1852 N ALA A 118 13.697 -8.520 -7.455 1.00 40.45 N ATOM 1853 CA ALA A 118 13.703 -7.202 -6.843 1.00 73.53 C ATOM 1854 C ALA A 118 13.294 -7.250 -5.374 1.00 33.22 C ATOM 1855 O ALA A 118 13.485 -6.263 -4.673 1.00 61.43 O ATOM 1856 CB ALA A 118 12.793 -6.246 -7.627 1.00 32.44 C ATOM 0 H ALA A 118 12.880 -8.674 -8.047 1.00 40.45 H new ATOM 0 HA ALA A 118 14.726 -6.828 -6.880 1.00 73.53 H new ATOM 0 HB1 ALA A 118 12.807 -5.263 -7.157 1.00 32.44 H new ATOM 0 HB2 ALA A 118 13.151 -6.163 -8.653 1.00 32.44 H new ATOM 0 HB3 ALA A 118 11.774 -6.633 -7.628 1.00 32.44 H new ATOM 1862 N VAL A 119 12.751 -8.370 -4.892 1.00 44.21 N ATOM 1863 CA VAL A 119 12.358 -8.555 -3.501 1.00 5.22 C ATOM 1864 C VAL A 119 13.610 -8.363 -2.638 1.00 44.13 C ATOM 1865 O VAL A 119 13.637 -7.530 -1.729 1.00 64.54 O ATOM 1866 CB VAL A 119 11.699 -9.948 -3.361 1.00 53.23 C ATOM 1867 CG1 VAL A 119 11.252 -10.271 -1.932 1.00 12.54 C ATOM 1868 CG2 VAL A 119 10.437 -10.040 -4.230 1.00 32.12 C ATOM 0 H VAL A 119 12.570 -9.188 -5.473 1.00 44.21 H new ATOM 0 HA VAL A 119 11.618 -7.829 -3.164 1.00 5.22 H new ATOM 0 HB VAL A 119 12.470 -10.653 -3.671 1.00 53.23 H new ATOM 0 HG11 VAL A 119 10.799 -11.262 -1.908 1.00 12.54 H new ATOM 0 HG12 VAL A 119 12.116 -10.250 -1.267 1.00 12.54 H new ATOM 0 HG13 VAL A 119 10.523 -9.531 -1.603 1.00 12.54 H new ATOM 0 HG21 VAL A 119 9.989 -11.027 -4.117 1.00 32.12 H new ATOM 0 HG22 VAL A 119 9.723 -9.279 -3.916 1.00 32.12 H new ATOM 0 HG23 VAL A 119 10.702 -9.879 -5.275 1.00 32.12 H new ATOM 1878 N THR A 120 14.679 -9.079 -2.986 1.00 11.15 N ATOM 1879 CA THR A 120 15.972 -8.952 -2.342 1.00 75.32 C ATOM 1880 C THR A 120 16.636 -7.612 -2.684 1.00 1.32 C ATOM 1881 O THR A 120 17.244 -7.022 -1.789 1.00 42.41 O ATOM 1882 CB THR A 120 16.804 -10.178 -2.739 1.00 54.02 C ATOM 1883 OG1 THR A 120 16.225 -11.304 -2.095 1.00 1.12 O ATOM 1884 CG2 THR A 120 18.264 -10.065 -2.311 1.00 14.54 C ATOM 0 H THR A 120 14.664 -9.772 -3.735 1.00 11.15 H new ATOM 0 HA THR A 120 15.874 -8.936 -1.257 1.00 75.32 H new ATOM 0 HB THR A 120 16.796 -10.266 -3.825 1.00 54.02 H new ATOM 0 HG1 THR A 120 16.731 -12.110 -2.328 1.00 1.12 H new ATOM 0 HG21 THR A 120 18.804 -10.961 -2.618 1.00 14.54 H new ATOM 0 HG22 THR A 120 18.714 -9.191 -2.781 1.00 14.54 H new ATOM 0 HG23 THR A 120 18.319 -9.963 -1.227 1.00 14.54 H new ATOM 1892 N THR A 121 16.527 -7.108 -3.921 1.00 44.31 N ATOM 1893 CA THR A 121 17.139 -5.833 -4.291 1.00 35.30 C ATOM 1894 C THR A 121 16.626 -4.700 -3.403 1.00 34.32 C ATOM 1895 O THR A 121 17.428 -3.939 -2.865 1.00 11.32 O ATOM 1896 CB THR A 121 16.858 -5.508 -5.765 1.00 54.22 C ATOM 1897 OG1 THR A 121 17.140 -6.595 -6.616 1.00 4.30 O ATOM 1898 CG2 THR A 121 17.680 -4.316 -6.236 1.00 52.42 C ATOM 0 H THR A 121 16.021 -7.566 -4.679 1.00 44.31 H new ATOM 0 HA THR A 121 18.215 -5.926 -4.146 1.00 35.30 H new ATOM 0 HB THR A 121 15.794 -5.277 -5.819 1.00 54.22 H new ATOM 0 HG1 THR A 121 16.945 -6.344 -7.543 1.00 4.30 H new ATOM 0 HG21 THR A 121 17.458 -4.112 -7.283 1.00 52.42 H new ATOM 0 HG22 THR A 121 17.430 -3.442 -5.635 1.00 52.42 H new ATOM 0 HG23 THR A 121 18.741 -4.540 -6.127 1.00 52.42 H new ATOM 1906 N TYR A 122 15.302 -4.596 -3.271 1.00 12.33 N ATOM 1907 CA TYR A 122 14.608 -3.570 -2.516 1.00 4.43 C ATOM 1908 C TYR A 122 14.972 -3.695 -1.038 1.00 4.33 C ATOM 1909 O TYR A 122 15.342 -2.699 -0.418 1.00 20.14 O ATOM 1910 CB TYR A 122 13.104 -3.752 -2.748 1.00 44.24 C ATOM 1911 CG TYR A 122 12.212 -2.679 -2.163 1.00 33.20 C ATOM 1912 CD1 TYR A 122 11.727 -2.790 -0.847 1.00 4.12 C ATOM 1913 CD2 TYR A 122 11.817 -1.591 -2.962 1.00 64.45 C ATOM 1914 CE1 TYR A 122 10.830 -1.833 -0.344 1.00 31.13 C ATOM 1915 CE2 TYR A 122 10.923 -0.630 -2.471 1.00 0.04 C ATOM 1916 CZ TYR A 122 10.412 -0.762 -1.164 1.00 32.34 C ATOM 1917 OH TYR A 122 9.538 0.159 -0.684 1.00 22.42 O ATOM 0 H TYR A 122 14.662 -5.258 -3.710 1.00 12.33 H new ATOM 0 HA TYR A 122 14.899 -2.571 -2.842 1.00 4.43 H new ATOM 0 HB2 TYR A 122 12.925 -3.801 -3.822 1.00 44.24 H new ATOM 0 HB3 TYR A 122 12.805 -4.714 -2.331 1.00 44.24 H new ATOM 0 HD1 TYR A 122 12.045 -3.612 -0.223 1.00 4.12 H new ATOM 0 HD2 TYR A 122 12.207 -1.495 -3.965 1.00 64.45 H new ATOM 0 HE1 TYR A 122 10.461 -1.916 0.668 1.00 31.13 H new ATOM 0 HE2 TYR A 122 10.628 0.205 -3.089 1.00 0.04 H new ATOM 0 HH TYR A 122 9.756 1.040 -1.053 1.00 22.42 H new ATOM 1927 N ASN A 123 14.941 -4.920 -0.487 1.00 44.43 N ATOM 1928 CA ASN A 123 15.403 -5.194 0.878 1.00 2.03 C ATOM 1929 C ASN A 123 16.849 -4.717 1.063 1.00 73.41 C ATOM 1930 O ASN A 123 17.194 -4.178 2.114 1.00 44.12 O ATOM 1931 CB ASN A 123 15.288 -6.692 1.238 1.00 1.34 C ATOM 1932 CG ASN A 123 13.871 -7.139 1.588 1.00 2.13 C ATOM 1933 OD1 ASN A 123 13.002 -6.325 1.902 1.00 41.12 O ATOM 1934 ND2 ASN A 123 13.580 -8.429 1.542 1.00 22.45 N ATOM 0 H ASN A 123 14.595 -5.745 -0.977 1.00 44.43 H new ATOM 0 HA ASN A 123 14.753 -4.640 1.555 1.00 2.03 H new ATOM 0 HB2 ASN A 123 15.648 -7.286 0.398 1.00 1.34 H new ATOM 0 HB3 ASN A 123 15.944 -6.904 2.082 1.00 1.34 H new ATOM 0 HD21 ASN A 123 12.637 -8.747 1.766 1.00 22.45 H new ATOM 0 HD22 ASN A 123 14.298 -9.105 1.282 1.00 22.45 H new ATOM 1941 N GLY A 124 17.680 -4.855 0.030 1.00 71.14 N ATOM 1942 CA GLY A 124 19.078 -4.456 0.012 1.00 74.13 C ATOM 1943 C GLY A 124 19.293 -2.968 -0.248 1.00 64.13 C ATOM 1944 O GLY A 124 20.442 -2.543 -0.315 1.00 33.32 O ATOM 0 H GLY A 124 17.379 -5.267 -0.853 1.00 71.14 H new ATOM 0 HA2 GLY A 124 19.533 -4.717 0.968 1.00 74.13 H new ATOM 0 HA3 GLY A 124 19.599 -5.028 -0.756 1.00 74.13 H new ATOM 1948 N TYR A 125 18.245 -2.160 -0.400 1.00 21.12 N ATOM 1949 CA TYR A 125 18.357 -0.706 -0.490 1.00 0.01 C ATOM 1950 C TYR A 125 17.939 -0.021 0.819 1.00 61.43 C ATOM 1951 O TYR A 125 17.966 1.208 0.925 1.00 0.44 O ATOM 1952 CB TYR A 125 17.473 -0.212 -1.644 1.00 4.00 C ATOM 1953 CG TYR A 125 17.875 -0.558 -3.077 1.00 42.31 C ATOM 1954 CD1 TYR A 125 19.215 -0.789 -3.456 1.00 0.34 C ATOM 1955 CD2 TYR A 125 16.879 -0.577 -4.069 1.00 53.42 C ATOM 1956 CE1 TYR A 125 19.555 -1.020 -4.806 1.00 55.22 C ATOM 1957 CE2 TYR A 125 17.214 -0.755 -5.421 1.00 3.14 C ATOM 1958 CZ TYR A 125 18.556 -0.967 -5.806 1.00 31.23 C ATOM 1959 OH TYR A 125 18.854 -1.119 -7.132 1.00 44.52 O ATOM 0 H TYR A 125 17.285 -2.500 -0.465 1.00 21.12 H new ATOM 0 HA TYR A 125 19.400 -0.450 -0.673 1.00 0.01 H new ATOM 0 HB2 TYR A 125 16.468 -0.600 -1.480 1.00 4.00 H new ATOM 0 HB3 TYR A 125 17.411 0.874 -1.571 1.00 4.00 H new ATOM 0 HD1 TYR A 125 19.990 -0.789 -2.703 1.00 0.34 H new ATOM 0 HD2 TYR A 125 15.844 -0.453 -3.788 1.00 53.42 H new ATOM 0 HE1 TYR A 125 20.578 -1.237 -5.076 1.00 55.22 H new ATOM 0 HE2 TYR A 125 16.439 -0.730 -6.173 1.00 3.14 H new ATOM 0 HH TYR A 125 18.032 -1.052 -7.662 1.00 44.52 H new ATOM 1969 N LEU A 126 17.511 -0.800 1.813 1.00 1.31 N ATOM 1970 CA LEU A 126 17.003 -0.317 3.098 1.00 11.02 C ATOM 1971 C LEU A 126 18.111 0.074 4.080 1.00 41.13 C ATOM 1972 O LEU A 126 17.861 0.770 5.067 1.00 5.55 O ATOM 1973 CB LEU A 126 16.115 -1.387 3.731 1.00 41.01 C ATOM 1974 CG LEU A 126 14.910 -1.781 2.859 1.00 21.30 C ATOM 1975 CD1 LEU A 126 13.867 -2.403 3.758 1.00 24.44 C ATOM 1976 CD2 LEU A 126 14.219 -0.610 2.164 1.00 53.51 C ATOM 0 H LEU A 126 17.508 -1.818 1.744 1.00 1.31 H new ATOM 0 HA LEU A 126 16.432 0.588 2.891 1.00 11.02 H new ATOM 0 HB2 LEU A 126 16.715 -2.275 3.929 1.00 41.01 H new ATOM 0 HB3 LEU A 126 15.754 -1.025 4.693 1.00 41.01 H new ATOM 0 HG LEU A 126 15.302 -2.447 2.090 1.00 21.30 H new ATOM 0 HD11 LEU A 126 13.000 -2.692 3.164 1.00 24.44 H new ATOM 0 HD12 LEU A 126 14.284 -3.285 4.244 1.00 24.44 H new ATOM 0 HD13 LEU A 126 13.563 -1.681 4.516 1.00 24.44 H new ATOM 0 HD21 LEU A 126 13.382 -0.981 1.572 1.00 53.51 H new ATOM 0 HD22 LEU A 126 13.851 0.092 2.913 1.00 53.51 H new ATOM 0 HD23 LEU A 126 14.930 -0.104 1.511 1.00 53.51 H new